*HEADER   R3TRXMR   17-DEC-90
*COMPND   THIOREDOXIN (E.C.1.6.4.5) (REDUCED FORM)                              
*SOURCE   HUMAN (HOMO $SAPIENS) RECOMBINANT IN (ESCHERICHIA $COLI)
*EXPDTA   NMR               
*AUTHOR   J.D.FORMAN-*KAY,G.M.CLORE,A.M.GRONENBORN                              
*COORDS   3TRX
*REMARK                                                                         
*REMARK    HYDROGEN ATOMS IN THIS ENTRY HAVE BEEN ASSIGNED NAMES                
*REMARK    CONSISTENT WITH THE RECOMMENDATIONS OF THE IUPAC-IUB                 
*REMARK    COMMISSION ON BIOCHEMICAL NOMENCLATURE (SEE,E.G., J.MOL.             
*REMARK    BIOL. 52, 1 (1970)).  THE PROTEIN DATA BANK HAS FOLLOWED             
*REMARK    RULE 4.4 OF THE RECOMMENDATIONS WITH THE FOLLOWING                   
*REMARK    MODIFICATION - WHEN MORE THAN ONE HYDROGEN ATOM IS BONDED            
*REMARK    TO A SINGLE NON-HYDROGEN ATOM, THE HYDROGEN ATOM NUMBER              
*REMARK    DESIGNATION IS GIVEN AS THE FIRST CHARACTER OF THE ATOM              
*REMARK    NAME RATHER THAN AS THE LAST CHARACTER (E.G. H*BETA*1 IS             
*REMARK    DENOTED AS 1HB).  
*REMARK
REMARK Experimental restraints used in the computation of the
REMARK high resolution three-dimensional structure of
REMARK reduced recombinant human thioredoxin in solution.
REMARK 
REMARK Authors: J.D. Forman-Kay, G.M. Clore and A.M. Gronenborn
REMARK
REMARK References
REMARK 1. The high resolution three-dimensional structure of
REMARK    reduced recombinant human thioeredoxin in solution
REMARK    Forman-Kay, J.D., Clore, G.M.*, Wingfield, P.T. & Gronenborn, A.M.*
REMARK    Biochemistry (1990) in press
REMARK
REMARK 2. Studies on the solution conformation of human thioredoxin using 
REMARK    15N-1H nuclear magnetic resonance spectroscopy. 
REMARK    Forman-Kay, J.D., Gronenborn, A.M.*, Wingfield, P.T. & Clore,, G.M.*
REMARK    Biochemistry 29, 1566-1572.
REMARK
REMARK 3. A proton nuclear magnetic resonance assignment and secondary
REMARK    structure determination of recombinant human thioredoxin.
REMARK    Forman-Kay, J.D., Clore, G.M.*, Driscoll, P.C., Wingfield, P.T.,
REMARK    Richards, F.M. & Gronenborn, A.M.*
REMARK    Biochemistry 28, 7088-7097
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 1983 interproton distance restraints
REMARK    derived from NOE measurements; 52 hydrogen-bonding distance
REMARK    restraints for 26 hydrogen-bonds identified on the basis of the
REMARK    NOE and amide proton exchange data, as well as the initial structure
REMARK    calculations; and 98 phi and 71 psi backbone torsion angle restraints
REMARK    and 72 chi1 sidechain torsion angle restraints derived from
REMARK    coupling constants and NOE data. The latter are obtained using
REMARK    the conformationa grid search program STEREOSEARCH [Nilges, M.,
REMARK    Clore, G.M. & Gronenborn, A.M. (1990) Biopolymers 29, 813-822
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    All the coordinates
REMARK    are included here as a separate file: Hum_trx.pdb
REMARK
REMARK
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.

! residue 2 VAL, NOEs FORWARD in sequence
assi (resi 2    and name HN  ) (resi 2    and name HA  ) 4.0 2.2 1.0
assi (resi 2    and name HN  ) (resi 2    and name HB  ) 2.5 0.7 0.2
assi (resi 2    and name HN  ) (resi 2    and name HG1#) 4.0 2.2 2.5
assi (resi 2    and name HN  ) (resi 2    and name HG2#) 4.0 2.2 2.5
assi (resi 2    and name HA  ) (resi 2    and name HB  ) 4.0 2.2 1.0
assi (resi 2    and name HA  ) (resi 2    and name HG1#) 3.0 1.2 1.8
assi (resi 2    and name HA  ) (resi 2    and name HG2#) 2.5 0.7 1.7

assi (resi 2    and name HA  ) (resi 3    and name HN  ) 2.5 0.7 0.2
assi (resi 2    and name HB  ) (resi 3    and name HN  ) 4.0 2.2 1.0
assi (resi 2    and name HG1#) (resi 3    and name HN  ) 2.5 0.7 1.7
assi (resi 2    and name HG2#) (resi 3    and name HN  ) 3.0 1.2 1.8

assi (resi 2    and name HG1#) (resi 4    and name HA  ) 5.0 2.0 2.5

assi (resi 2    and name HB  ) (resi 43	  and name HE1 ) 3.0 1.2 0.3
assi (resi 2    and name HG2#) (resi 43   and name HE1 ) 5.0 2.0 2.5
assi (resi 2    and name HG1#) (resi 43   and name HE1 ) 4.0 2.2 2.5
assi (resi 2    and name HG2#) (resi 43   and name HA  ) 4.0 2.2 2.5
assi (resi 2    and name HG2#) (resi 43   and name Hb2 ) 4.0 2.2 2.5
assi (resi 2    and name HG2#) (resi 43   and name Hb1 ) 5.0 2.0 2.5
assi (resi 2    and name HG1#) (resi 43   and name Hb# ) 4.0 2.2 3.5

assi (resi 2    and name HG2#) (resi 46   and name HA  ) 4.0 2.2 2.5
assi (resi 2    and name HG2#) (resi 46   and name HB2 ) 3.0 1.2 1.8
assi (resi 2    and name HG2#) (resi 46   and name HB1 ) 3.0 1.2 1.8

assi (resi 2    and name HG1#) (resi 54	  and name HD1 ) 4.0 2.2 2.5
assi (resi 2    and name HG2#) (resi 54	  and name HD1 ) 4.0 2.2 2.5
assi (resi 2    and name HA  ) (resi 54   and name HB1 ) 3.0 1.2 0.3
assi (resi 2    and name HA  ) (resi 54   and name hb2 ) 4.0 2.2 1.0
assi (resi 2    and name HG2#) (resi 54   and name HB1 ) 4.0 2.2 2.5

! residue 3 LYS, NOEs FORWARD in sequence
assi (resi 3    and name HN  ) (resi 3    and name HA  ) 3.0 1.2 0.3
assi (resi 3    and name HN  ) (resi 3    and name Hb# ) 3.0 1.2 1.3
assi (resi 3    and name HA  ) (resi 3    and name HB# ) 3.0 1.2 1.3
assi (resi 3    and name HA  ) (resi 3    and name HG# ) 3.0 1.2 1.3
assi (resi 3    and name HA  ) (resi 3    and name HE# ) 4.0 2.2 2.0
assi (resi 3    and name HG# ) (resi 3    and name HE# ) 4.0 2.2 3.0

assi (resi 3    and name HA  ) (resi 4    and name HN  ) 2.5 0.7 0.2
assi (resi 3    and name HN  ) (resi 4    and name HN  ) 4.0 2.2 1.0
assi (resi 3    and name HB1 ) (resi 4    and name HN  ) 4.0 2.2 1.0
assi (resi 3    and name hb2 ) (resi 4    and name HN  ) 4.0 2.2 1.0
assi (resi 3    and name HG1 ) (resi 4    and name HN  ) 4.0 2.2 1.0
assi (resi 3    and name HG2 ) (resi 4    and name HN  ) 4.0 2.2 1.0
assi (resi 3    and name HD# ) (resi 4    and name HN  ) 4.0 2.2 2.0

assi (resi 3    and name hn  ) (resi 5    and name hd# ) 5.0 2.0 2.5

assi (resi 3    and name HB# ) (resi 55   and name HA  ) 4.0 2.2 2.0
assi (resi 3    and name HN  ) (resi 55   and name HA  ) 3.0 1.2 0.3

! residue 4 GLN, NOEs FORWARD in sequence
assi (resi 4    and name HN  ) (resi 4    and name HA  ) 4.0 2.2 1.0
assi (resi 4    and name HN  ) (resi 4    and name HB# ) 2.5 0.7 1.2
assi (resi 4    and name HN  ) (resi 4    and name HG1 ) 4.0 2.2 1.0
assi (resi 4    and name HN  ) (resi 4    and name HG2 ) 4.0 2.2 1.0
assi (resi 4    and name HG1 ) (resi 4    and name HE21) 4.0 2.2 1.0
assi (resi 4    and name HG1 ) (resi 4    and name HE22) 4.0 2.2 1.0
assi (resi 4    and name HG2 ) (resi 4    and name HE21) 4.0 2.2 1.0
assi (resi 4    and name HG2 ) (resi 4    and name HE22) 4.0 2.2 1.0
assi (resi 4    and name HA  ) (resi 4    and name HB2 ) 3.0 1.2 0.3
assi (resi 4    and name HA  ) (resi 4    and name HG1 ) 4.0 2.2 1.0
assi (resi 4    and name HA  ) (resi 4    and name HG2 ) 4.0 2.2 1.0

assi (resi 4    and name HA  ) (resi 5    and name HN  ) 3.0 1.2 0.3
assi (resi 4    and name HB# ) (resi 5    and name HN  ) 4.0 2.2 2.0
assi (resi 4    and name HG# ) (resi 5    and name HN  ) 4.0 2.2 2.0

assi (resi 4    and name HG# ) (resi 6    and name HN  ) 4.0 2.2 2.0

assi (resi 4    and name HA  ) (resi 55   and name HA  ) 4.0 2.2 1.0
assi (resi 4    and name HA  ) (resi 55   and name Hd2#) 5.0 2.0 2.5

assi (resi 4    and name HA  ) (resi 56   and name HN  ) 4.0 2.2 1.0
assi (resi 4    and name HG# ) (resi 56   and name HA  ) 5.0 2.0 2.0
assi (resi 4    and name HA  ) (resi 56   and name HB# ) 4.0 2.2 2.0

! residue 5 ILE, NOEs FORWARD in sequence
assi (resi 5    and name HN  ) (resi 5    and name HA  ) 3.0 1.2 0.3
assi (resi 5    and name HN  ) (resi 5    and name HB  ) 2.5 0.7 0.2
assi (resi 5    and name HN  ) (resi 5    and name HG1#) 2.5 0.7 1.2
assi (resi 5    and name HN  ) (resi 5    and name HG2#) 3.0 1.2 1.8
assi (resi 5    and name HN  ) (resi 5    and name HD# ) 3.0 1.2 1.8
assi (resi 5    and name HA  ) (resi 5    and name HB  ) 4.0 2.2 1.0
assi (resi 5    and name HA  ) (resi 5    and name HG2#) 2.5 0.7 1.7
assi (resi 5    and name HA  ) (resi 5    and name HD# ) 2.5 0.7 1.7
assi (resi 5    and name HB  ) (resi 5    and name HD# ) 3.0 1.2 1.8

assi (resi 5    and name HN  ) (resi 6    and name HN  ) 4.0 2.2 1.0
assi (resi 5    and name HA  ) (resi 6    and name HN  ) 2.5 0.7 0.2
assi (resi 5    and name HB  ) (resi 6    and name HN  ) 3.0 1.2 0.3
assi (resi 5    and name HG2#) (resi 6    and name HN  ) 2.5 0.7 1.7
assi (resi 5    and name HD# ) (resi 6    and name HN  ) 3.0 1.2 1.8
assi (resi 5    and name HG2#) (resi 6    and name HA  ) 4.0 2.2 2.5
assi (resi 5    and name HD# ) (resi 6    and name HA  ) 5.0 2.0 2.5

assi (resi 5    and name HA  ) (resi 7    and name HN  ) 4.0 2.2 1.0
assi (resi 5    and name HB  ) (resi 7    and name HN  ) 4.0 2.2 1.0
assi (resi 5    and name HG2#) (resi 7    and name HN  ) 2.5 0.7 1.7

assi (resi 5    and name HG2#) (resi 8    and name HA  ) 4.0 2.2 2.5

assi (resi 5    and name HG2#) (resi 10   and name HA  ) 4.0 2.2 2.5

assi (resi 5    and name HG2#) (resi 11   and name HB2 ) 3.0 1.2 1.8
assi (resi 5    and name HG2#) (resi 11   and name hb1 ) 3.0 1.2 1.8
assi (resi 5    and name HG2#) (resi 11   and name HN  ) 2.5 0.7 1.7
assi (resi 5    and name HG2#) (resi 11   and name HD1 ) 2.5 0.7 1.7

assi (resi 5    and name HD# ) (resi 14   and name HB# ) 2.5 0.7 3.2

assi (resi 5    and name HN  ) (resi 56   and name HN  ) 4.0 2.2 1.0

assi (resi 5    and name HN  ) (resi 57   and name HA  ) 3.0 1.2 0.3
assi (resi 5    and name HN  ) (resi 57   and name HG1#) 4.0 2.2 2.5
assi (resi 5    and name HN  ) (resi 57   and name HG2#) 4.0 2.2 2.5
assi (resi 5    and name HB  ) (resi 57   and name HA  ) 3.0 1.2 0.3

assi (resi 5    and name Hb  ) (resi 65   and name Hg2#) 4.0 2.2 2.5
assi (resi 5    and name HG2#) (resi 65   and name Hg1#) 4.0 2.2 4.0
assi (resi 5    and name HG2#) (resi 65   and name Hg2#) 4.0 2.2 4.0

! residue 6 GLU, NOEs FORWARD in sequence
assi (resi 6    and name HN  ) (resi 6    and name HA  ) 4.0 2.2 1.0
assi (resi 6    and name HN  ) (resi 6    and name HB# ) 3.0 1.2 1.3
assi (resi 6    and name HN  ) (resi 6    and name HG# ) 3.0 1.2 1.3
assi (resi 6    and name HA  ) (resi 6    and name HB# ) 3.0 1.2 1.3
assi (resi 6    and name HA  ) (resi 6    and name HG# ) 2.5 0.7 1.2

assi (resi 6    and name HN  ) (resi 7    and name HN  ) 2.5 0.7 0.2
assi (resi 6    and name HA  ) (resi 7    and name HN  ) 4.0 2.2 1.0
assi (resi 6    and name HB# ) (resi 7    and name HN  ) 4.0 2.2 2.0
assi (resi 6    and name HG# ) (resi 7    and name HN  ) 3.0 1.2 1.3

assi (resi 6    and name HN  ) (resi 10   and name HB# ) 3.0 1.2 1.8

! residue 7 SER, NOEs FORWARD in sequence
assi (resi 7    and name HN  ) (resi 7    and name HA  ) 3.0 1.2 0.3
assi (resi 7    and name HN  ) (resi 7    and name HB2 ) 4.0 2.2 1.0
assi (resi 7    and name HN  ) (resi 7    and name hb1 ) 4.0 2.2 1.0
assi (resi 7    and name HA  ) (resi 7    and name HB2 ) 2.5 0.7 0.2
assi (resi 7    and name HA  ) (resi 7    and name hb1 ) 2.5 0.7 0.2

assi (resi 7    and name HN  ) (resi 8    and name HN  ) 4.0 2.2 1.0
assi (resi 7    and name HA  ) (resi 8    and name HN  ) 4.0 2.2 1.0
assi (resi 7    and name HB2 ) (resi 8    and name HN  ) 3.0 1.2 0.3
assi (resi 7    and name hb1 ) (resi 8    and name HN  ) 4.0 2.2 1.0

assi (resi 7    and name HA  ) (resi 9    and name HN  ) 4.0 2.2 1.0
assi (resi 7    and name HB2 ) (resi 9    and name HN  ) 4.0 2.2 1.0

assi (resi 7    and name HN  ) (resi 10   and name HN  ) 4.0 2.2 1.0
assi (resi 7    and name HA  ) (resi 10   and name HN  ) 4.0 2.2 1.0
assi (resi 7    and name HA  ) (resi 10   and name HB# ) 4.0 2.2 2.5
assi (resi 7    and name HB2 ) (resi 10   and name HN  ) 5.0 2.0 1.0
assi (resi 7    and name HN  ) (resi 10   and name HB# ) 2.5 0.7 1.7

assi (resi 7    and name HN  ) (resi 11   and name HN  ) 4.0 2.2 1.0

! residue 8 LYS, NOEs FORWARD in sequence
assi (resi 8    and name HN  ) (resi 8    and name HA  ) 3.0 1.2 0.3
assi (resi 8    and name HN  ) (resi 8    and name HB2 ) 2.5 0.7 0.2
assi (resi 8    and name HN  ) (resi 8    and name hb1 ) 2.5 0.7 0.2
assi (resi 8    and name HN  ) (resi 8    and name HG1 ) 4.0 2.2 1.0
assi (resi 8    and name HN  ) (resi 8    and name HG2 ) 4.0 2.2 1.0
assi (resi 8    and name HA  ) (resi 8    and name HB2 ) 3.0 1.2 0.3
assi (resi 8    and name HA  ) (resi 8    and name hb1 ) 3.0 1.2 0.3
assi (resi 8    and name HA  ) (resi 8    and name HG1 ) 3.0 1.2 0.3
assi (resi 8    and name HA  ) (resi 8    and name HG2 ) 3.0 1.2 0.3
assi (resi 8    and name hb1 ) (resi 8    and name HE# ) 4.0 2.2 2.0
assi (resi 8    and name HG1 ) (resi 8    and name HE# ) 4.0 2.2 2.0
assi (resi 8    and name HG2 ) (resi 8    and name HE# ) 4.0 2.2 2.0

assi (resi 8    and name HN  ) (resi 9    and name HN  ) 2.5 0.7 0.2
assi (resi 8    and name HA  ) (resi 9    and name HN  ) 3.0 1.2 0.3
assi (resi 8    and name HB2 ) (resi 9    and name HN  ) 4.0 2.2 1.0
assi (resi 8    and name hb1 ) (resi 9    and name HN  ) 3.0 1.2 0.3
assi (resi 8    and name HG1 ) (resi 9    and name HN  ) 4.0 2.2 1.0
assi (resi 8    and name HG2 ) (resi 9    and name HN  ) 4.0 2.2 1.0

assi (resi 8    and name HN  ) (resi 10   and name HN  ) 4.0 2.2 1.0
assi (resi 8    and name HA  ) (resi 10   and name HN  ) 4.0 2.2 1.0

assi (resi 8    and name HA  ) (resi 11   and name HN  ) 3.0 1.2 0.3
assi (resi 8    and name HA  ) (resi 11   and name HB2 ) 3.0 1.2 0.3
assi (resi 8    and name HA  ) (resi 11   and name hb1 ) 3.0 1.2 0.3
assi (resi 8    and name HA  ) (resi 11   and name HD2 ) 4.0 2.2 1.0

assi (resi 8    and name HA  ) (resi 12   and name HN  ) 4.0 2.2 1.0

assi (resi 8    and name HN  ) (resi 65   and name HG2#) 2.5 0.7 1.7
assi (resi 8    and name HA  ) (resi 65   and name HG1#) 4.0 2.2 2.5
assi (resi 8    and name HA  ) (resi 65   and name HG2#) 2.5 0.7 1.7
assi (resi 8    and name HB2 ) (resi 65   and name HG2#) 4.0 2.2 2.5

! residue 9 THR, NOEs FORWARD in sequence
assi (resi 9    and name HN  ) (resi 9    and name HA  ) 2.5 0.7 0.2
assi (resi 9    and name HN  ) (resi 9    and name HB  ) 2.5 0.7 0.2
assi (resi 9    and name HN  ) (resi 9    and name HG2#) 3.0 1.2 1.8
assi (resi 9    and name HA  ) (resi 9    and name HG2#) 3.0 1.2 1.8

assi (resi 9    and name HN  ) (resi 10   and name HN  ) 2.5 0.7 0.2
assi (resi 9    and name HN  ) (resi 10   and name HB# ) 4.0 2.2 2.5
assi (resi 9    and name HA  ) (resi 10   and name HN  ) 3.0 1.2 0.3
assi (resi 9    and name HB  ) (resi 10   and name HN  ) 2.5 0.7 0.2
assi (resi 9    and name HG2#) (resi 10   and name HN  ) 3.0 1.2 1.8

assi (resi 9    and name HG2#) (resi 11   and name HN  ) 5.0 2.0 2.5

assi (resi 9    and name HA  ) (resi 12   and name HB# ) 4.0 2.2 2.0
assi (resi 9    and name HA  ) (resi 12   and name HG1 ) 4.0 2.2 1.0
assi (resi 9    and name HA  ) (resi 12   and name HG2 ) 4.0 2.2 1.0

assi (resi 9    and name HG2#) (resi 13   and name HN  ) 4.0 2.2 2.5

! residue 10 ALA, NOEs FORWARD in sequence
assi (resi 10   and name HN  ) (resi 10   and name HA  ) 2.5 0.7 0.2
assi (resi 10   and name HN  ) (resi 10   and name HB# ) 2.5 0.7 1.7
assi (resi 10   and name HA  ) (resi 10   and name HB# ) 2.5 0.7 1.7

assi (resi 10   and name HN  ) (resi 11   and name HN  ) 4.0 2.2 1.0
assi (resi 10   and name HA  ) (resi 11   and name HN  ) 4.0 2.2 1.0
assi (resi 10   and name HB# ) (resi 11   and name HN  ) 4.0 2.2 2.5

assi (resi 10   and name HA  ) (resi 12   and name HN  ) 4.0 2.2 1.0
assi (resi 10   and name HB# ) (resi 12   and name HN  ) 3.0 1.2 1.8

assi (resi 10   and name HA  ) (resi 13   and name HN  ) 3.0 1.2 0.3
assi (resi 10   and name HB# ) (resi 13   and name HN  ) 4.0 2.2 2.5
assi (resi 10   and name HA  ) (resi 13   and name HB2 ) 4.0 2.2 1.0
assi (resi 10   and name HA  ) (resi 13   and name hb1 ) 4.0 2.2 1.0
assi (resi 10   and name HA  ) (resi 13   and name HG1 ) 4.0 2.2 1.0
assi (resi 10   and name HA  ) (resi 13   and name HG2 ) 4.0 2.2 1.0

assi (resi 10   and name HA  ) (resi 14   and name HN  ) 4.0 2.2 1.0

! residue 11 PHE, NOEs FORWARD in sequence
assi (resi 11   and name HN  ) (resi 11   and name HA  ) 3.0 1.2 0.3
assi (resi 11   and name HN  ) (resi 11   and name HB2 ) 3.0 1.2 0.3
assi (resi 11   and name HN  ) (resi 11   and name hb1 ) 2.5 0.7 0.2
assi (resi 11   and name HN  ) (resi 11   and name HD# ) 4.0 2.2 3.0
assi (resi 11   and name HA  ) (resi 11   and name HD1 ) 2.5 0.7 0.2
assi (resi 11   and name HA  ) (resi 11   and name HB2 ) 2.5 0.7 0.2
assi (resi 11   and name HA  ) (resi 11   and name hb1 ) 4.0 2.2 1.0
assi (resi 11   and name HB2 ) (resi 11   and name HD# ) 4.0 2.2 3.0
assi (resi 11   and name hb1 ) (resi 11   and name HD# ) 4.0 2.2 3.0

assi (resi 11   and name HN  ) (resi 12   and name HN  ) 3.0 1.2 0.3
assi (resi 11   and name HA  ) (resi 12   and name HN  ) 4.0 2.2 1.0
assi (resi 11   and name HB2 ) (resi 12   and name HN  ) 4.0 2.2 1.0
assi (resi 11   and name hb1 ) (resi 12   and name HN  ) 3.0 1.2 0.3
assi (resi 11   and name HD2 ) (resi 12   and name HN  ) 4.0 2.2 1.0
assi (resi 11   and name HD2 ) (resi 12   and name HA  ) 4.0 2.2 1.0

assi (resi 11   and name HN  ) (resi 14   and name HB# ) 4.0 2.2 2.5
assi (resi 11   and name HA  ) (resi 14   and name HB# ) 4.0 2.2 2.5

assi (resi 11   and name HD2 ) (resi 15   and name HD1#) 4.0 2.2 2.5
assi (resi 11   and name HE2 ) (resi 15   and name HD1#) 4.0 2.2 2.5
assi (resi 11   and name HZ  ) (resi 15   and name HD1#) 3.0 1.2 1.8
assi (resi 11   and name HD# ) (resi 15   and name HD2#) 4.0 2.2 4.5
assi (resi 11   and name HE# ) (resi 15   and name HD2#) 4.0 2.2 4.5
assi (resi 11   and name HZ  ) (resi 15   and name HD2#) 3.0 1.2 1.8

assi (resi 11   and name HD1 ) (resi 55   and name HD1#) 4.0 2.2 4.5
assi (resi 11   and name HD1 ) (resi 55   and name HD2#) 4.0 2.2 4.5

assi (resi 11   and name HN  ) (resi 65   and name HG1#) 4.0 2.2 2.5
assi (resi 11   and name HN  ) (resi 65   and name HG2#) 3.0 1.2 1.8
assi (resi 11   and name HA  ) (resi 65   and name HG1#) 5.0 2.0 2.5
assi (resi 11   and name HB2 ) (resi 65   and name HG1#) 4.0 2.2 2.5
assi (resi 11   and name HB2 ) (resi 65   and name HG2#) 3.0 1.2 1.8
assi (resi 11   and name hb1 ) (resi 65   and name HG1#) 4.0 2.2 2.5
assi (resi 11   and name hb1 ) (resi 65   and name HG2#) 3.0 1.2 1.8
assi (resi 11   and name hD1 ) (resi 65   and name HG1#) 4.0 2.2 4.5
assi (resi 11   and name hD# ) (resi 65   and name HG2#) 4.0 2.2 4.5

assi (resi 11   and name hz  ) (resi 80   and name he# ) 4.0 2.2 3.0
assi (resi 11   and name hz  ) (resi 80   and name hz  ) 3.0 1.2 0.3

! residue 12 GLN, NOEs FORWARD in sequence
assi (resi 12   and name HN  ) (resi 12   and name HA  ) 3.0 1.2 0.3
assi (resi 12   and name HN  ) (resi 12   and name HB# ) 2.5 0.7 1.2
assi (resi 12   and name HN  ) (resi 12   and name HG1 ) 4.0 2.2 1.0
assi (resi 12   and name HN  ) (resi 12   and name HG2 ) 4.0 2.2 1.0
assi (resi 12   and name HA  ) (resi 12   and name HE2#) 3.0 1.2 1.3
assi (resi 12   and name HA  ) (resi 12   and name hb# ) 3.0 1.2 1.3
assi (resi 12   and name HA  ) (resi 12   and name HG# ) 3.0 1.2 1.3
assi (resi 12   and name HG1 ) (resi 12   and name HE2#) 4.0 2.2 2.0
assi (resi 12   and name HG2 ) (resi 12   and name HE2#) 4.0 2.2 2.0

assi (resi 12   and name HN  ) (resi 13   and name HN  ) 4.0 2.2 1.0
assi (resi 12   and name HA  ) (resi 13   and name HN  ) 3.0 1.2 0.3
assi (resi 12   and name HB2 ) (resi 13   and name HN  ) 4.0 2.2 1.0
assi (resi 12   and name hb1 ) (resi 13   and name HN  ) 4.0 2.2 1.0
assi (resi 12   and name HG# ) (resi 13   and name HN  ) 4.0 2.2 2.0

assi (resi 12   and name HA  ) (resi 14   and name HN  ) 4.0 2.2 1.0

assi (resi 12   and name HA  ) (resi 15   and name HN  ) 4.0 2.2 1.0
assi (resi 12   and name HA  ) (resi 15   and name HB1 ) 4.0 2.2 1.0
assi (resi 12   and name HA  ) (resi 15   and name hb2 ) 3.0 1.2 0.3
assi (resi 12   and name HA  ) (resi 15   and name HG  ) 4.0 2.2 1.0
assi (resi 12   and name HA  ) (resi 15   and name Hd2#) 4.0 2.2 2.5
assi (resi 12   and name HA  ) (resi 15   and name HD1#) 2.5 0.7 1.7

assi (resi 12   and name HA  ) (resi 16   and name HN  ) 4.0 2.2 1.0

assi (resi 12   and name HN  ) (resi 65   and name HG2#) 5.0 2.0 2.5

! residue 13 GLU, NOEs FORWARD in sequence
assi (resi 13   and name HN  ) (resi 13   and name HA  ) 3.0 1.2 0.3
assi (resi 13   and name HN  ) (resi 13   and name HB2 ) 4.0 2.2 1.0
assi (resi 13   and name HN  ) (resi 13   and name hb1 ) 4.0 2.2 1.0
assi (resi 13   and name HN  ) (resi 13   and name HG1 ) 3.0 1.2 0.3
assi (resi 13   and name HN  ) (resi 13   and name HG2 ) 3.0 1.2 0.3
assi (resi 13   and name HA  ) (resi 13   and name HG1 ) 4.0 2.2 1.0
assi (resi 13   and name HA  ) (resi 13   and name HG2 ) 4.0 2.2 1.0

assi (resi 13   and name HN  ) (resi 14   and name HN  ) 4.0 2.2 1.0
assi (resi 13   and name HA  ) (resi 14   and name HN  ) 4.0 2.2 1.0
assi (resi 13   and name HB2 ) (resi 14   and name HN  ) 4.0 2.2 1.0
assi (resi 13   and name hb1 ) (resi 14   and name HN  ) 4.0 2.2 1.0
assi (resi 13   and name HG1 ) (resi 14   and name HN  ) 4.0 2.2 1.0
assi (resi 13   and name HG2 ) (resi 14   and name HN  ) 4.0 2.2 1.0
assi (resi 13   and name HN  ) (resi 14   and name HB# ) 4.0 2.2 2.5

assi (resi 13   and name HB# ) (resi 15   and name HN  ) 4.0 2.2 2.0

assi (resi 13   and name HA  ) (resi 16   and name HN  ) 3.0 1.2 0.3
assi (resi 13   and name HA  ) (resi 16   and name HB2 ) 4.0 2.2 1.0
assi (resi 13   and name HA  ) (resi 16   and name hb1 ) 4.0 2.2 1.0

assi (resi 13   and name HA  ) (resi 17   and name HN  ) 4.0 2.2 1.0

! residue 14 ALA, NOEs FORWARD in sequence
assi (resi 14   and name HN  ) (resi 14   and name HA  ) 3.0 1.2 0.3
assi (resi 14   and name HN  ) (resi 14   and name HB# ) 2.5 0.7 1.7
assi (resi 14   and name HA  ) (resi 14   and name HB# ) 2.5 0.7 1.7

assi (resi 14   and name HN  ) (resi 15   and name HN  ) 3.0 1.2 0.3
assi (resi 14   and name HA  ) (resi 15   and name HN  ) 4.0 2.2 1.0
assi (resi 14   and name HB# ) (resi 15   and name HN  ) 2.5 0.7 1.7
assi (resi 14   and name HN  ) (resi 15   and name HD1#) 4.0 2.2 2.5
assi (resi 14   and name HN  ) (resi 15   and name HD2#) 4.0 2.2 2.5
assi (resi 14   and name HB# ) (resi 15   and name HD1#) 4.0 2.2 4.0
assi (resi 14   and name HB# ) (resi 15   and name HD2#) 4.0 2.2 4.0

assi (resi 14   and name HB# ) (resi 16   and name HN  ) 4.0 2.2 2.5

assi (resi 14   and name HA  ) (resi 17   and name HN  ) 3.0 1.2 0.3
assi (resi 14   and name HA  ) (resi 17   and name HB# ) 2.5 0.7 1.7

assi (resi 14   and name HA  ) (resi 18   and name HN  ) 4.0 2.2 1.0

! residue 15 LEU, NOEs FORWARD in sequence
assi (resi 15   and name HN  ) (resi 15   and name HA  ) 3.0 1.2 0.3
assi (resi 15   and name HN  ) (resi 15   and name HB1 ) 4.0 2.2 1.0
assi (resi 15   and name HN  ) (resi 15   and name hb2 ) 2.5 0.7 0.2
assi (resi 15   and name HN  ) (resi 15   and name HG  ) 4.0 2.2 1.0
assi (resi 15   and name HN  ) (resi 15   and name HD1#) 4.0 2.2 2.5
assi (resi 15   and name HN  ) (resi 15   and name HD2#) 4.0 2.2 2.5
assi (resi 15   and name HA  ) (resi 15   and name HB2 ) 4.0 2.2 1.0
assi (resi 15   and name HA  ) (resi 15   and name hb1 ) 3.0 1.2 0.3
assi (resi 15   and name HA  ) (resi 15   and name HG  ) 3.0 1.2 0.3
assi (resi 15   and name HA  ) (resi 15   and name HD1#) 4.0 2.2 2.5
assi (resi 15   and name HA  ) (resi 15   and name HD2#) 2.5 0.7 1.7
assi (resi 15   and name HB2 ) (resi 15   and name HD1#) 2.5 0.7 1.7
assi (resi 15   and name HB2 ) (resi 15   and name HD2#) 2.5 0.7 1.7
assi (resi 15   and name hb1 ) (resi 15   and name HD1#) 2.5 0.7 1.7
assi (resi 15   and name hb1 ) (resi 15   and name HD2#) 2.5 0.7 1.7

assi (resi 15   and name HN  ) (resi 16   and name HN  ) 3.0 1.2 0.3
assi (resi 15   and name HA  ) (resi 16   and name HN  ) 3.0 1.2 0.3
assi (resi 15   and name HB2 ) (resi 16   and name HN  ) 4.0 2.2 1.0
assi (resi 15   and name hb1 ) (resi 16   and name HN  ) 4.0 2.2 1.0
assi (resi 15   and name HG  ) (resi 16   and name HN  ) 4.0 2.2 1.0
assi (resi 15   and name HD1#) (resi 16   and name HN  ) 4.0 2.2 2.5
assi (resi 15   and name HD2#) (resi 16   and name HN  ) 4.0 2.2 2.5

assi (resi 15   and name HA  ) (resi 18   and name HN  ) 4.0 2.2 1.0
assi (resi 15   and name HA  ) (resi 18   and name HB# ) 4.0 2.2 2.5
assi (resi 15   and name HD2#) (resi 18   and name HB# ) 3.0 1.2 3.3
assi (resi 15   and name HD1#) (resi 18   and name HB# ) 4.0 2.2 4.0

assi (resi 15   and name HD2#) (resi 23   and name HG1#) 2.5 0.7 3.2
assi (resi 15   and name HD1#) (resi 23   and name HG1#) 3.0 1.2 3.3
assi (resi 15   and name HA  ) (resi 23   and name Hg1#) 4.0 2.2 2.5
assi (resi 15   and name HA  ) (resi 23   and name HG2#) 3.0 1.2 1.8
assi (resi 15   and name HD2#) (resi 23   and name HA  ) 5.0 2.0 2.5
assi (resi 15   and name HD1#) (resi 23   and name HB  ) 4.0 2.2 2.5
assi (resi 15   and name HD2#) (resi 23   and name hB  ) 3.0 1.2 1.8

assi (resi 15   and name HD1#) (resi 55   and name HD1#) 4.0 2.2 4.0
assi (resi 15   and name HD2#) (resi 55   and name HD1#) 2.5 0.7 3.2
assi (resi 15   and name HD1#) (resi 55   and name HD2#) 4.0 2.2 4.0
assi (resi 15   and name HD2#) (resi 55   and name HD2#) 2.5 0.7 3.2

assi (resi 15   and name HD1#) (resi 65   and name HG1#) 5.0 2.0 4.0
assi (resi 15   and name HD2#) (resi 65   and name HG1#) 5.0 2.0 4.0

assi (resi 15   and name HD2#) (resi 80   and name HN  ) 4.0 2.2 2.5
assi (resi 15   and name HD1#) (resi 80   and name HE# ) 3.0 1.2 3.8
assi (resi 15   and name HD2#) (resi 80   and name HE# ) 3.0 1.2 3.8
assi (resi 15   and name HD1#) (resi 80   and name HD# ) 2.5 0.7 3.7
assi (resi 15   and name HD2#) (resi 80   and name HD# ) 2.5 0.7 3.7
assi (resi 15   and name HD2#) (resi 80   and name HA  ) 4.0 2.2 2.5

assi (resi 15   and name HD1#) (resi 83   and name HN  ) 4.0 2.2 2.5
assi (resi 15   and name HD2#) (resi 83   and name HN  ) 4.0 2.2 2.5
assi (resi 15   and name HB1 ) (resi 83   and name HN  ) 4.0 2.2 1.0
assi (resi 15   and name Hb1 ) (resi 83   and name HA2 ) 4.0 2.2 1.0
assi (resi 15   and name Hb1 ) (resi 83   and name HA1 ) 4.0 2.2 1.0
assi (resi 15   and name HD1#) (resi 83   and name HA2 ) 4.0 2.2 2.5
assi (resi 15   and name HD2#) (resi 83   and name HA2 ) 4.0 2.2 2.5
assi (resi 15   and name HD1#) (resi 83   and name HA1 ) 4.0 2.2 2.5
assi (resi 15   and name HD2#) (resi 83   and name HA1 ) 5.0 2.0 2.5

! residue 16 ASP, NOEs FORWARD in sequence
assi (resi 16   and name HN  ) (resi 16   and name HA  ) 3.0 1.2 0.3
assi (resi 16   and name HN  ) (resi 16   and name HB2 ) 3.0 1.2 0.3
assi (resi 16   and name HN  ) (resi 16   and name hb1 ) 4.0 2.2 1.0
assi (resi 16   and name HA  ) (resi 16   and name HB2 ) 4.0 2.2 1.0
assi (resi 16   and name HA  ) (resi 16   and name hb1 ) 4.0 2.2 1.0

assi (resi 16   and name HN  ) (resi 17   and name HN  ) 4.0 2.2 1.0
assi (resi 16   and name HA  ) (resi 17   and name HN  ) 3.0 1.2 0.3
assi (resi 16   and name HB2 ) (resi 17   and name HN  ) 4.0 2.2 1.0
assi (resi 16   and name hb1 ) (resi 17   and name HN  ) 4.0 2.2 1.0
assi (resi 16   and name HN  ) (resi 17   and name HB# ) 4.0 2.2 2.5

assi (resi 16   and name HN  ) (resi 18   and name HN  ) 4.0 2.2 1.0
assi (resi 16   and name HA  ) (resi 18   and name HN  ) 4.0 2.2 1.0

assi (resi 16   and name HA  ) (resi 19   and name HN  ) 4.0 2.2 1.0

! residue 17 ALA, NOEs FORWARD in sequence
assi (resi 17   and name HN  ) (resi 17   and name HA  ) 3.0 1.2 0.3
assi (resi 17   and name HN  ) (resi 17   and name HB# ) 2.5 0.7 1.7
assi (resi 17   and name HA  ) (resi 17   and name HB# ) 2.5 0.7 1.7

assi (resi 17   and name HN  ) (resi 18   and name HN  ) 3.0 1.2 0.3
assi (resi 17   and name HA  ) (resi 18   and name HN  ) 4.0 2.2 1.0
assi (resi 17   and name HB# ) (resi 18   and name HN  ) 3.0 1.2 1.8

assi (resi 17   and name HA  ) (resi 19   and name HN  ) 4.0 2.2 1.0
assi (resi 17   and name HB# ) (resi 19   and name HN  ) 5.0 2.0 2.5


! residue 18 ALA, NOEs FORWARD in sequence
assi (resi 18   and name HN  ) (resi 18   and name HA  ) 3.0 1.2 0.3
assi (resi 18   and name HN  ) (resi 18   and name HB# ) 2.5 0.7 1.7
assi (resi 18   and name HA  ) (resi 18   and name HB# ) 3.0 1.2 1.8

assi (resi 18   and name HN  ) (resi 19   and name hn  ) 3.0 1.2 0.3
assi (resi 18   and name HA  ) (resi 19   and name HN  ) 4.0 2.2 1.0
assi (resi 18   and name HB# ) (resi 19   and name HN  ) 3.0 1.2 1.8

assi (resi 18   and name HB# ) (resi 21   and name HN  ) 4.0 2.2 2.5
assi (resi 18   and name HA  ) (resi 21   and name HD# ) 4.0 2.2 2.0

assi (resi 18   and name HB# ) (resi 23   and name HG1#) 4.0 2.2 4.0
assi (resi 18   and name HB# ) (resi 23   and name HG2#) 3.0 1.2 3.3

assi (resi 18   and name HA  ) (resi 53   and name HD# ) 3.0 1.2 1.8

! residue 19 GLY, NOEs FORWARD in sequence
assi (resi 19   and name HN  ) (resi 19   and name HA2 ) 2.5 0.7 0.2
assi (resi 19   and name HN  ) (resi 19   and name HA1 ) 3.0 1.2 0.3

assi (resi 19   and name HN  ) (resi 20   and name HN  ) 4.0 2.2 1.0
assi (resi 19   and name HA1 ) (resi 20   and name HN  ) 2.5 0.7 0.2
assi (resi 19   and name HA2 ) (resi 20   and name HN  ) 3.0 1.2 0.3

assi (resi 19   and name HA1 ) (resi 21   and name HN  ) 4.0 2.2 1.0

! residue 20 ASP, NOEs FORWARD in sequence
assi (resi 20   and name HN  ) (resi 20   and name HA  ) 4.0 2.2 1.0
assi (resi 20   and name HN  ) (resi 20   and name hb# ) 3.0 1.2 1.3
assi (resi 20   and name HA  ) (resi 20   and name hb# ) 2.5 0.7 1.2

assi (resi 20   and name HN  ) (resi 21   and name HN  ) 3.0 1.2 0.3
assi (resi 20   and name HA  ) (resi 21   and name HN  ) 4.0 2.2 1.0
assi (resi 20   and name hb# ) (resi 21   and name HN  ) 4.0 2.2 2.0

assi (resi 20   and name HA  ) (resi 23   and name HG1#) 5.0 2.0 2.5

assi (resi 20   and name ha  ) (resi 82   and name ha  ) 4.0 2.2 1.0
assi (resi 20   and name HA  ) (resi 82   and name HG# ) 4.0 2.2 2.0
assi (resi 20   and name HA  ) (resi 82   and name HE# ) 4.0 2.2 2.0
assi (resi 20   and name HA  ) (resi 82   and name HD# ) 4.0 2.2 2.0

! residue 21 LYS, NOEs FORWARD in sequence
assi (resi 21   and name HN  ) (resi 21   and name HA  ) 4.0 2.0 1.0
assi (resi 21   and name HN  ) (resi 21   and name HB2 ) 4.0 2.2 1.0
assi (resi 21   and name HN  ) (resi 21   and name HG# ) 4.0 2.2 2.0
assi (resi 21   and name HN  ) (resi 21   and name HD# ) 3.0 1.2 1.3
assi (resi 21   and name HA  ) (resi 21   and name HB1 ) 2.5 0.7 0.2
assi (resi 21   and name HA  ) (resi 21   and name HG# ) 3.0 1.2 1.3
assi (resi 21   and name HA  ) (resi 21   and name HD# ) 4.0 2.2 2.0
assi (resi 21   and name HA  ) (resi 21   and name HE# ) 4.0 2.2 2.0
assi (resi 21   and name HB# ) (resi 21   and name HE# ) 4.0 2.2 3.0
assi (resi 21   and name HG# ) (resi 21   and name HE# ) 4.0 2.2 3.0

assi (resi 21   and name HN  ) (resi 22   and name HN  ) 4.0 2.2 1.0
assi (resi 21   and name HA  ) (resi 22   and name HN  ) 2.5 0.7 0.2
assi (resi 21   and name HB# ) (resi 22   and name HN  ) 3.0 1.2 1.3
assi (resi 21   and name HG# ) (resi 22   and name HN  ) 4.0 2.2 2.0
assi (resi 21   and name HD# ) (resi 22   and name HN  ) 4.0 2.2 2.0

assi (resi 21   and name HG# ) (resi 51   and name HA  ) 5.0 2.0 2.0
assi (resi 21   and name HD# ) (resi 51   and name HA  ) 4.0 2.2 2.0

! residue 22 LEU, NOEs FORWARD in sequence
assi (resi 22   and name HN  ) (resi 22   and name HA  ) 3.0 1.2 0.3
assi (resi 22   and name HN  ) (resi 22   and name HB# ) 2.5 0.7 1.2
assi (resi 22   and name HN  ) (resi 22   and name HG  ) 4.0 2.2 1.0
assi (resi 22   and name HN  ) (resi 22   and name HD* ) 3.0 1.2 2.7
assi (resi 22   and name HA  ) (resi 22   and name HB# ) 4.0 2.2 2.0
assi (resi 22   and name HA  ) (resi 22   and name HG  ) 4.0 2.2 1.0
assi (resi 22   and name HA  ) (resi 22   and name HD* ) 2.5 0.7 2.6

assi (resi 22   and name HN  ) (resi 23   and name HN  ) 4.0 2.2 1.0
assi (resi 22   and name HA  ) (resi 23   and name HN  ) 2.5 0.7 0.2
assi (resi 22   and name HB# ) (resi 23   and name HN  ) 4.0 2.2 2.0
assi (resi 22   and name HD* ) (resi 23   and name HN  ) 3.0 1.2 2.7

assi (resi 22   and name HN  ) (resi 52   and name HA  ) 4.0 2.2 1.0
assi (resi 22   and name HN  ) (resi 52   and name HG1#) 3.0 1.2 1.8


assi (resi 22   and name HD* ) (resi 79   and name HA  ) 4.0 2.2 3.4

assi (resi 22   and name HA  ) (resi 81   and name HA  ) 4.0 2.2 1.0
assi (resi 22   and name HN  ) (resi 81   and name HE# ) 4.0 2.2 2.0

assi (resi 22   and name HD1#) (resi 104  and name HD1#) 3.0 1.2 3.3
assi (resi 22   and name HD* ) (resi 104  and name HD2#) 3.0 1.2 4.2
assi (resi 22   and name HD2#) (resi 104  and name HD1#) 3.0 1.2 3.3

assi (resi 22   and name HN  ) (resi 105  and name HA  ) 4.0 2.2 1.0

! residue 23 VAL, NOEs FORWARD in sequence
assi (resi 23   and name HN  ) (resi 23   and name HA  ) 4.0 2.2 1.0
assi (resi 23   and name HN  ) (resi 23   and name HB  ) 4.0 2.2 1.0
assi (resi 23   and name HN  ) (resi 23   and name HG1#) 4.0 2.2 2.5
assi (resi 23   and name HN  ) (resi 23   and name HG2#) 2.5 0.7 1.7
assi (resi 23   and name HA  ) (resi 23   and name HB  ) 4.0 2.2 1.0
assi (resi 23   and name HA  ) (resi 23   and name HG1#) 3.0 1.2 1.8
assi (resi 23   and name HA  ) (resi 23   and name HG2#) 3.0 1.2 1.8

assi (resi 23   and name HA  ) (resi 24   and name HN  ) 3.0 1.2 0.3
assi (resi 23   and name HB  ) (resi 24   and name HN  ) 4.0 2.2 1.0
assi (resi 23   and name HG2#) (resi 24   and name HN  ) 4.0 2.2 2.5
assi (resi 23   and name HG1#) (resi 24   and name HN  ) 3.0 1.2 1.8
assi (resi 23   and name HA  ) (resi 24   and name HG1#) 4.0 2.2 2.5
assi (resi 23   and name HA  ) (resi 24   and name HG2#) 4.0 2.2 2.5

assi (resi 23   and name HA  ) (resi 52   and name HG1#) 4.0 2.2 2.5
assi (resi 23   and name HN  ) (resi 52   and name HG1#) 4.0 2.2 2.5

assi (resi 23   and name HA  ) (resi 53   and name HB  ) 3.0 1.2 0.3
assi (resi 23   and name HA  ) (resi 53   and name HG2#) 4.0 2.2 2.5
assi (resi 23   and name HA  ) (resi 53   and name HN  ) 3.0 1.2 0.3
assi (resi 23   and name HG1#) (resi 53   and name HN  ) 5.0 2.0 2.5

assi (resi 23   and name HA  ) (resi 54   and name HA  ) 4.0 2.2 1.0

assi (resi 23   and name HN  ) (resi 79   and name HA  ) 4.0 2.2 1.0

assi (resi 23   and name HN  ) (resi 80   and name hb2 ) 4.0 2.2 1.0
assi (resi 23   and name HB  ) (resi 80   and name HN  ) 4.0 2.2 1.0
assi (resi 23   and name HN  ) (resi 80   and name HN  ) 3.0 1.2 0.3
assi (resi 23   and name HN  ) (resi 80   and name HD# ) 5.0 2.0 3.0
assi (resi 23   and name HG1#) (resi 80   and name HE# ) 5.0 2.0 4.5
assi (resi 23   and name Hg1#) (resi 80   and name Hd# ) 3.0 1.2 3.8
assi (resi 23   and name HG1#) (resi 80   and name HN  ) 4.0 2.2 2.5
assi (resi 23   and name HG2#) (resi 80   and name HN  ) 4.0 2.2 2.5
assi (resi 23   and name HG1#) (resi 80   and name Hb1 ) 4.0 2.2 2.5
assi (resi 23   and name HG2#) (resi 80   and name Hb1 ) 4.0 2.2 2.5
assi (resi 23   and name HG1#) (resi 80   and name Hb2 ) 4.0 2.2 2.5
assi (resi 23   and name HG2#) (resi 80   and name Hb2 ) 4.0 2.2 2.5

assi (resi 23   and name HN  ) (resi 81   and name HA  ) 4.0 2.2 1.0

! residue 24 VAL, NOEs FORWARD in sequence
assi (resi 24   and name HN  ) (resi 24   and name HA  ) 4.0 2.2 1.0
assi (resi 24   and name HN  ) (resi 24   and name HB  ) 3.0 1.2 0.3
assi (resi 24   and name HN  ) (resi 24   and name HG1#) 4.0 2.2 2.5
assi (resi 24   and name HN  ) (resi 24   and name HG2#) 4.0 2.2 2.5
assi (resi 24   and name HA  ) (resi 24   and name HB  ) 4.0 2.2 1.0
assi (resi 24   and name HA  ) (resi 24   and name HG1#) 3.0 1.2 1.8
assi (resi 24   and name HA  ) (resi 24   and name HG2#) 3.0 1.2 1.8

assi (resi 24   and name HA  ) (resi 25   and name HN  ) 2.5 0.7 0.2
assi (resi 24   and name HB  ) (resi 25   and name HN  ) 4.0 2.2 1.0
assi (resi 24   and name HG1#) (resi 25   and name HN  ) 4.0 2.2 2.5
assi (resi 24   and name HG2#) (resi 25   and name HN  ) 4.0 2.2 2.5
assi (resi 24   and name HA  ) (resi 25   and name HG2#) 4.0 2.2 2.5

assi (resi 24   and name HB  ) (resi 42   and name he1 ) 4.0 2.2 1.0
assi (resi 24   and name HB  ) (resi 42   and name hz  ) 4.0 2.2 1.0
assi (resi 24   and name HG1#) (resi 42   and name he1 ) 3.0 1.2 1.8
assi (resi 24   and name HG1#) (resi 42   and name hz  ) 4.0 2.2 2.5
assi (resi 24   and name HG2#) (resi 42 and name hz or resi 42 and name he#) 5.0 2.0 4.5

assi (resi 24   and name HG1#) (resi 52   and name HG1#) 4.0 2.2 4.0
assi (resi 24   and name HG2#) (resi 52   and name HG1#) 4.0 2.2 4.0
assi (resi 24   and name HB  ) (resi 52   and name HG1#) 4.0 2.2 2.5
assi (resi 24   and name HN  ) (resi 52   and name HG1#) 4.0 2.2 2.5

assi (resi 24   and name HN  ) (resi 53   and name HN  ) 4.0 2.2 1.0

assi (resi 24   and name HN  ) (resi 54   and name HD2 ) 4.0 2.2 1.0
assi (resi 24   and name HB  ) (resi 54   and name HD2 ) 4.0 2.2 1.0
assi (resi 24   and name HN  ) (resi 54   and name HA  ) 3.0 1.2 0.3
assi (resi 24   and name HG1#) (resi 54   and name HA  ) 4.0 2.2 2.5
assi (resi 24   and name HG2#) (resi 54   and name HA  ) 4.0 2.2 2.5
assi (resi 24   and name HG1#) (resi 54   and name HE2 ) 4.0 2.2 2.5
assi (resi 24   and name HG2#) (resi 54   and name HE2 ) 4.0 2.2 2.5
assi (resi 24   and name HB  ) (resi 54   and name HA  ) 4.0 2.2 1.0

assi (resi 24   and name HG1#) (resi 55   and name HN  ) 4.0 2.2 2.5
assi (resi 24   and name HN  ) (resi 55   and name HN  ) 4.0 2.2 1.0

assi (resi 24   and name HG1#) (resi 77   and name HA  ) 4.0 2.2 2.5
assi (resi 24   and name HG1#) (resi 77   and name HD1 ) 3.0 1.2 1.8
assi (resi 24   and name HG2#) (resi 77   and name HD# ) 4.0 2.2 4.5

assi (resi 24   and name HG1#) (resi 79   and name HZ  ) 4.0 2.2 2.5
assi (resi 24   and name HG2#) (resi 79   and name HZ  ) 4.0 2.2 2.5
assi (resi 24   and name HG1#) (resi 79   and name HE2 ) 3.0 1.2 1.8
assi (resi 24   and name HG2#) (resi 79   and name HE1 ) 3.0 1.2 1.8
assi (resi 24   and name HG1#) (resi 79   and name HD2 ) 3.0 1.2 1.8
assi (resi 24   and name HG2#) (resi 79   and name HD1 ) 3.0 1.2 1.8
assi (resi 24   and name HA  ) (resi 79   and name HA  ) 2.5 0.7 0.2
assi (resi 24   and name HG1#) (resi 79   and name HA  ) 4.0 2.2 2.5
assi (resi 24   and name HG2#) (resi 79   and name HA  ) 4.0 2.2 2.5

assi (resi 24   and name HA  ) (resi 80   and name HN  ) 4.0 2.2 1.0

assi (resi 24   and name HG2#) (resi 101  and name HG2#) 3.0 1.2 3.3

! residue 25 VAL, NOEs FORWARD in sequence
assi (resi 25   and name HN  ) (resi 25   and name HA  ) 4.0 2.2 1.0
assi (resi 25   and name HN  ) (resi 25   and name HB  ) 2.5 0.7 0.2
assi (resi 25   and name HN  ) (resi 25   and name HG1#) 4.0 2.2 2.5
assi (resi 25   and name HN  ) (resi 25   and name HG2#) 3.0 1.2 1.8
assi (resi 25   and name HA  ) (resi 25   and name HB  ) 4.0 2.2 1.0
assi (resi 25   and name HA  ) (resi 25   and name HG1#) 2.5 0.7 1.7
assi (resi 25   and name HA  ) (resi 25   and name HG2#) 2.5 0.7 1.7

assi (resi 25   and name HN  ) (resi 26   and name HN  ) 4.0 2.2 1.0
assi (resi 25   and name HA  ) (resi 26   and name HN  ) 2.5 0.7 0.2
assi (resi 25   and name HG2#) (resi 26   and name HN  ) 4.0 2.2 2.5
assi (resi 25   and name HG1#) (resi 26   and name HN  ) 3.0 1.2 1.8

assi (resi 25   and name HG1#) (resi 27   and name HA  ) 4.0 2.2 2.5
assi (resi 25   and name HG1#) (resi 27   and name HD# ) 2.5 0.7 3.7
assi (resi 25   and name HG2#) (resi 27   and name HD# ) 2.5 0.7 3.7

assi (resi 25   and name HA  ) (resi 42   and name HD# ) 5.0 2.0 3.0
assi (resi 25   and name Ha  ) (resi 42   and name He# ) 4.0 2.2 3.0
assi (resi 25   and name HA  ) (resi 42   and name hz  ) 4.0 2.2 1.0

assi (resi 25   and name HA  ) (resi 54   and name HA  ) 4.0 2.2 1.0

assi (resi 25   and name HA  ) (resi 55   and name HD1#) 4.0 2.2 2.5
assi (resi 25   and name HA  ) (resi 55   and name HN  ) 3.0 1.2 0.3
assi (resi 25   and name HG2#) (resi 55   and name HN  ) 4.0 2.2 2.5
assi (resi 25   and name HG1#) (resi 55   and name HN  ) 3.0 1.2 2.7
assi (resi 25   and name HG1#) (resi 55   and name HA  ) 5.0 2.0 2.5
assi (resi 25   and name HG2#) (resi 55   and name HA  ) 5.0 2.0 2.5
assi (resi 25   and name HG1#) (resi 55   and name HB2 ) 3.0 1.2 1.8
assi (resi 25   and name HG1#) (resi 55   and name hb1 ) 4.0 2.2 2.5
assi (resi 25   and name HG2#) (resi 55   and name HB2 ) 3.0 1.2 1.8
assi (resi 25   and name HG1#) (resi 55   and name HD1#) 3.0 1.2 3.3
assi (resi 25   and name HG1#) (resi 55   and name HD2#) 4.0 2.2 4.0
assi (resi 25   and name HG2#) (resi 55   and name HD1#) 3.0 1.2 3.3

assi (resi 25   and name Ha  ) (resi 56   and name HA  ) 5.0 2.0 1.0
assi (resi 25   and name HG1#) (resi 56   and name HA  ) 4.0 2.2 2.5

assi (resi 25   and name HG1#) (resi 57   and name HA  ) 4.0 2.2 2.5
assi (resi 25   and name HG1#) (resi 57   and name HB  ) 3.0 1.2 1.8
assi (resi 25   and name HG1#) (resi 57   and name HG1#) 3.0 1.2 3.3
assi (resi 25   and name HG1#) (resi 57   and name HG2#) 2.5 0.7 3.2

assi (resi 25   and name HN  ) (resi 77   and name HA  ) 4.0 2.2 1.0
assi (resi 25   and name HG1#) (resi 77   and name HA  ) 4.0 2.2 2.5

assi (resi 25   and name HG1#) (resi 78   and name HN  ) 4.0 2.2 2.5
assi (resi 25   and name HG2#) (resi 78   and name HN  ) 4.0 2.2 2.5
assi (resi 25   and name HN  ) (resi 78   and name HN  ) 3.0 1.2 0.3

assi (resi 25   and name HN  ) (resi 79   and name HD2 ) 4.0 2.2 1.0
assi (resi 25   and name HN  ) (resi 79   and name HA  ) 4.0 2.2 1.0

assi (resi 25   and name HN  ) (resi 80   and name HN  ) 4.0 2.2 1.0
assi (resi 25   and name HG1#) (resi 80   and name HD2 ) 4.0 2.2 2.5
assi (resi 25   and name HG2#) (resi 80   and name HD2 ) 3.0 1.2 1.8
assi (resi 25   and name HN  ) (resi 80   and name HE2 ) 4.0 2.2 1.0
assi (resi 25   and name HN  ) (resi 80   and name HD2 ) 4.0 2.2 1.0
assi (resi 25   and name HG1#) (resi 80   and name HE2 ) 3.0 1.2 1.8
assi (resi 25   and name HG2#) (resi 80   and name HE2 ) 2.5 0.7 1.7

! residue 26 ASP, NOEs FORWARD in sequence
assi (resi 26   and name HN  ) (resi 26   and name HA  ) 4.0 2.2 1.0
assi (resi 26   and name HN  ) (resi 26   and name HB1 ) 4.0 2.2 1.0

assi (resi 26   and name HA  ) (resi 27   and name HN  ) 3.0 1.2 0.3

assi (resi 26   and name HN  ) (resi 42   and name HD# ) 4.0 2.2 3.0
assi (resi 26   and name HN  ) (resi 42   and name He2 ) 4.0 2.2 1.0
assi (resi 26   and name HN  ) (resi 42   and name hz  ) 4.0 2.2 1.0

assi (resi 26   and name HN  ) (resi 55   and name HN  ) 4.0 2.2 1.0

assi (resi 26   and name HN  ) (resi 56   and name HA  ) 4.0 2.2 1.0

assi (resi 26   and name HN  ) (resi 57   and name HB  ) 4.0 2.2 1.0

assi (resi 26   and name HA  ) (resi 77   and name HD1 ) 3.0 1.2 0.3
assi (resi 26   and name HA  ) (resi 77   and name HA  ) 2.5 0.7 0.2
assi (resi 26   and name HN  ) (resi 77   and name HD1 ) 4.0 2.2 1.0
assi (resi 26   and name Hn  ) (resi 77   and name HE# ) 4.0 2.2 3.0
assi (resi 26   and name HA  ) (resi 77   and name HE1 ) 4.0 2.2 1.0

assi (resi 26   and name HA  ) (resi 78   and name HN  ) 4.0 2.2 1.0

! residue 27 PHE, NOEs FORWARD in sequence
assi (resi 27   and name HN  ) (resi 27   and name HA  ) 4.0 2.2 1.0
assi (resi 27   and name HN  ) (resi 27   and name HB2 ) 4.0 2.2 1.0
assi (resi 27   and name HN  ) (resi 27   and name hb1 ) 4.0 2.2 1.0
assi (resi 27   and name HA  ) (resi 27   and name HB1 ) 2.5 0.7 0.2
assi (resi 27   and name HA  ) (resi 27   and name HB2 ) 4.0 2.2 1.0
assi (resi 27   and name HA  ) (resi 27   and name HD1 ) 2.5 0.7 0.2
assi (resi 27   and name HB2 ) (resi 27   and name HD2 ) 3.0 1.2 0.2
assi (resi 27   and name hb1 ) (resi 27   and name HD1 ) 3.0 1.2 0.2
assi (resi 27   and name HN  ) (resi 27   and name HD2 ) 3.0 1.2 0.3

assi (resi 27   and name HA  ) (resi 28   and name HN  ) 3.0 1.2 0.3
assi (resi 27   and name HB1 ) (resi 28   and name HB# ) 4.0 2.2 2.0
assi (resi 27   and name HD1 ) (resi 28   and name HN  ) 4.0 2.2 1.0
assi (resi 27   and name Ha  ) (resi 28   and name Hb# ) 4.0 2.2 2.0

assi (resi 27   and name HD1 ) (resi 57   and name HN  ) 4.0 2.2 1.0
assi (resi 27   and name HA  ) (resi 57   and name HB  ) 3.0 1.2 0.3
assi (resi 27   and name HA  ) (resi 57   and name HG1#) 4.0 2.2 2.5
assi (resi 27   and name HA  ) (resi 57   and name HG2#) 4.0 2.2 2.5
assi (resi 27   and name HA  ) (resi 57   and name HN  ) 4.0 2.2 1.0
assi (resi 27   and name HD1 ) (resi 57   and name HB  ) 2.5 0.7 0.2
assi (resi 27   and name HD1 ) (resi 57   and name HG1#) 2.5 0.7 1.7
assi (resi 27   and name HD1 ) (resi 57   and name HG2#) 2.5 0.7 1.7

assi (resi 27   and name HA  ) (resi 59   and name HG1#) 3.0 1.2 1.8
assi (resi 27   and name HA  ) (resi 59   and name HG2#) 4.0 2.2 2.5
assi (resi 27   and name HB2 ) (resi 59   and name HG1#) 4.0 2.2 2.5
assi (resi 27   and name hb1 ) (resi 59   and name HG1#) 4.0 2.2 2.5
assi (resi 27   and name HD1 ) (resi 59   and name HG1#) 3.0 1.2 1.8
assi (resi 27   and name HD1 ) (resi 59   and name HG2#) 5.0 2.0 2.5
assi (resi 27   and name HD1 ) (resi 59   and name HA  ) 4.0 2.2 1.0

assi (resi 27   and name HD1 ) (resi 65   and name HG1#) 4.0 2.2 2.5
assi (resi 27   and name he1 ) (resi 65   and name hb  ) 4.0 2.2 1.0
assi (resi 27   and name hz  ) (resi 65   and name hb  ) 4.0 2.2 1.0
assi (resi 27   and name HE1 ) (resi 65   and name HG1#) 3.0 1.2 1.8
assi (resi 27   and name Hz  ) (resi 65   and name HG1#) 3.0 1.2 1.8

assi (resi 27   and name he1 ) (resi 66   and name hn  ) 4.0 2.2 1.0
assi (resi 27   and name HD1 ) (resi 66   and name HA  ) 3.0 1.2 0.3
assi (resi 27   and name HD1 ) (resi 66   and name HB# ) 2.5 0.7 1.7
assi (resi 27   and name HD1 ) (resi 66   and name HN  ) 4.0 2.2 1.0

assi (resi 27   and name HD# ) (resi 69   and name HB2 ) 4.0 2.2 3.0
assi (resi 27   and name HD# ) (resi 69   and name hb1 ) 4.0 2.2 3.0

assi (resi 27   and name HD# ) (resi 71   and name HN  ) 4.0 2.2 3.0
assi (resi 27   and name HA  ) (resi 71   and name hg2#) 5.0 2.0 2.5
assi (resi 27   and name HA  ) (resi 71   and name hg1#) 5.0 2.0 2.5
assi (resi 27   and name HB2 ) (resi 71   and name hg2#) 5.0 2.0 2.5
assi (resi 27   and name hb1 ) (resi 71   and name hg2#) 5.0 2.0 2.5
assi (resi 27   and name HB2 ) (resi 71   and name hg1#) 3.0 1.2 1.8
assi (resi 27   and name hb1 ) (resi 71   and name hg1#) 3.0 1.2 1.8
assi (resi 27   and name hd# ) (resi 71   and name hg1#) 4.0 2.2 4.5
assi (resi 27   and name HD# ) (resi 71   and name hg2#) 2.5 0.7 3.7

assi (resi 27   and name HA  ) (resi 74   and name HG2#) 4.0 2.2 2.5
assi (resi 27   and name hb1 ) (resi 74   and name hg2#) 4.0 2.2 2.5
assi (resi 27   and name hb2 ) (resi 74   and name hg2#) 4.0 2.2 2.5

assi (resi 27   and name hn  ) (resi 76   and name hb  ) 4.0 2.2 1.0
assi (resi 27   and name hb1 ) (resi 76   and name hn  ) 4.0 2.2 1.0
assi (resi 27   and name hb2 ) (resi 76   and name hn  ) 4.0 2.2 1.0
assi (resi 27   and name HB2 ) (resi 76   and name HB  ) 4.0 2.2 1.0
assi (resi 27   and name hb1 ) (resi 76   and name HB  ) 4.0 2.2 1.0
assi (resi 27   and name HD2 ) (resi 76   and name HB  ) 4.0 2.2 1.0
assi (resi 27   and name HD2 ) (resi 76   and name HN  ) 4.0 2.2 1.0
assi (resi 27   and name hb1 ) (resi 76   and name hg2#) 4.0 2.2 2.5
assi (resi 27   and name hb2 ) (resi 76   and name hg2#) 4.0 2.2 2.5
assi (resi 27   and name HD2 ) (resi 76   and name HG2#) 3.0 1.2 1.8
assi (resi 27   and name HN  ) (resi 76   and name HN  ) 4.0 2.2 1.0

assi (resi 27   and name Hn  ) (resi 77   and name HA  ) 4.0 2.2 1.0
assi (resi 27   and name HD2 ) (resi 77   and name HA  ) 4.0 2.2 1.0

assi (resi 27   and name HD2 ) (resi 78   and name HN  ) 3.0 1.2 0.3

assi (resi 27   and name hd2 ) (resi 80   and name he2 ) 4.0 2.2 1.0
assi (resi 27   and name HD# ) (resi 80   and name HZ  ) 4.0 2.2 3.0

! residue 28 SER, NOEs FORWARD in sequence
assi (resi 28   and name HA  ) (resi 28   and name HN  ) 4.0 2.2 1.0
assi (resi 28   and name HB2 ) (resi 28   and name HN  ) 4.0 2.2 1.0
assi (resi 28   and name hb1 ) (resi 28   and name HN  ) 4.0 2.2 1.0
assi (resi 28   and name HA  ) (resi 28   and name HB# ) 3.0 1.2 1.3

assi (resi 28   and name HA  ) (resi 29   and name HN  ) 3.0 1.2 0.3
assi (resi 28   and name HB2 ) (resi 29   and name HN  ) 4.0 2.2 1.0
assi (resi 28   and name HB1 ) (resi 29   and name HN  ) 4.0 2.2 1.0

assi (resi 28   and name HB# ) (resi 35   and name HB1 ) 5.0 2.0 2.0

assi (resi 28   and name ha  ) (resi 59   and name hn  ) 4.0 2.2 1.0
assi (resi 28   and name HN  ) (resi 59   and name HG1#) 3.0 1.2 1.8
assi (resi 28   and name HN  ) (resi 59   and name HG2#) 4.0 2.2 2.5
assi (resi 28   and name Ha  ) (resi 59   and name HG1#) 4.0 2.2 2.5

assi (resi 28   and name ha  ) (resi 74   and name ha  ) 4.0 2.2 1.0
assi (resi 28   and name HB2 ) (resi 74   and name HB  ) 4.0 2.2 1.0
assi (resi 28   and name hb1 ) (resi 74   and name HB  ) 4.0 2.2 1.0
assi (resi 28   and name HB2 ) (resi 74   and name HG2#) 4.0 2.2 2.5
assi (resi 28   and name hb1 ) (resi 74   and name HG2#) 4.0 2.2 2.5
assi (resi 28   and name HA  ) (resi 74   and name HB  ) 2.5 0.7 0.2
assi (resi 28   and name HA  ) (resi 74   and name HG2#) 3.0 1.2 1.8

assi (resi 28   and name ha  ) (resi 75   and name ha  ) 4.0 2.2 1.0
assi (resi 28   and name hb# ) (resi 75   and name ha  ) 4.0 2.2 2.0
assi (resi 28   and name hb# ) (resi 75   and name hb1 ) 4.0 2.2 2.0
assi (resi 28   and name hb# ) (resi 75   and name hb2 ) 4.0 2.2 2.0
assi (resi 28   and name HA  ) (resi 75   and name HB2 ) 4.0 2.2 1.0
assi (resi 28   and name HA  ) (resi 75   and name hb1 ) 4.0 2.2 1.0


! residue 29 ALA, NOEs FORWARD in sequence
assi (resi 29   and name HN  ) (resi 29   and name HA  ) 4.0 2.2 1.0
assi (resi 29   and name HN  ) (resi 29   and name HB# ) 2.5 0.7 1.7
assi (resi 29   and name HA  ) (resi 29   and name HB# ) 3.0 1.2 1.8

assi (resi 29   and name HA  ) (resi 30   and name HN  ) 4.0 2.2 1.0
assi (resi 29   and name HB# ) (resi 30   and name HN  ) 3.0 1.2 1.8

assi (resi 29   and name HB# ) (resi 31   and name HD1 ) 3.0 1.2 1.8
assi (resi 29   and name HB# ) (resi 31   and name Hh2 ) 4.0 2.2 2.5
assi (resi 29   and name HB# ) (resi 31   and name He3 ) 4.0 2.2 2.5
assi (resi 29   and name hb# ) (resi 31   and name hz3 ) 4.0 2.2 2.5
assi (resi 29   and name hb# ) (resi 31   and name hz2 ) 4.0 2.2 2.5
assi (resi 29   and name HB# ) (resi 31   and name HN  ) 3.0 1.2 1.8
assi (resi 29   and name HB# ) (resi 31   and name He1 ) 3.0 1.2 1.8

assi (resi 29   and name hn  ) (resi 32   and name hb# ) 4.0 2.2 2.0
assi (resi 29   and name HA  ) (resi 32   and name HN  ) 4.0 2.2 1.0
assi (resi 29   and name HB# ) (resi 32   and name HN  ) 3.0 1.2 1.8
assi (resi 29   and name HB# ) (resi 32   and name HB2 ) 4.0 2.2 2.5
assi (resi 29   and name HB# ) (resi 32   and name hb1 ) 4.0 2.2 2.5


assi (resi 29   and name hn  ) (resi 35   and name hb2 ) 5.0 2.0 1.0

assi (resi 29   and name hn  ) (resi 36   and name hb2 ) 5.0 2.0 1.0

assi (resi 29   and name HA  ) (resi 58   and name HA  ) 4.0 2.2 1.0

assi (resi 29   and name hb# ) (resi 59   and name hn  ) 4.0 2.2 2.5
assi (resi 29   and name ha  ) (resi 59   and name hn  ) 4.0 2.2 1.0
assi (resi 29   and name HN  ) (resi 59   and name HG1#) 4.0 2.2 2.5
assi (resi 29   and name HA  ) (resi 59   and name HG2#) 3.0 1.2 1.8
assi (resi 29   and name HB# ) (resi 59   and name HG2#) 2.5 0.7 3.2

assi (resi 29   and name hn  ) (resi 74   and name hb  ) 3.0 1.2 0.3
assi (resi 29   and name hb# ) (resi 74   and name hb  ) 4.0 2.2 2.5
assi (resi 29   and name hb# ) (resi 74   and name hg2#) 3.0 1.2 3.3

! residue 30 THR, NOEs FORWARD in sequence
assi (resi 30   and name HN  ) (resi 30   and name HA  ) 3.0 1.2 0.3
assi (resi 30   and name HN  ) (resi 30   and name HB  ) 4.0 2.2 1.0
assi (resi 30   and name HN  ) (resi 30   and name HG2#) 4.0 2.2 2.5
assi (resi 30   and name HA  ) (resi 30   and name HB  ) 2.5 0.7 0.2
assi (resi 30   and name HA  ) (resi 30   and name HG2#) 3.0 1.2 1.8

assi (resi 30   and name HN  ) (resi 31   and name HN  ) 4.0 2.2 1.0
assi (resi 30   and name HA  ) (resi 31   and name HN  ) 4.0 2.2 1.0
assi (resi 30   and name hb  ) (resi 31   and name hn  ) 5.0 2.2 1.0
assi (resi 30   and name HG2#) (resi 31   and name HN  ) 2.5 0.7 1.7
assi (resi 30   and name hn  ) (resi 31   and name hd1 ) 4.0 2.2 1.0
assi (resi 30   and name HA  ) (resi 31   and name HD1 ) 4.0 2.2 1.0
assi (resi 30   and name HB  ) (resi 31   and name HD1 ) 4.0 2.2 1.0
assi (resi 30   and name HG2#) (resi 31   and name HD1 ) 4.0 2.2 2.5

assi (resi 30   and name HN  ) (resi 59   and name HG2#) 4.0 2.2 2.5

! residue 31 TRP, NOEs FORWARD in sequence
assi (resi 31   and name HN  ) (resi 31   and name HA  ) 4.0 2.2 1.0
assi (resi 31   and name HN  ) (resi 31   and name HB2 ) 4.0 2.2 1.0
assi (resi 31   and name HN  ) (resi 31   and name hb1 ) 4.0 2.2 1.0
assi (resi 31   and name HA  ) (resi 31   and name HB2 ) 3.0 1.2 0.3
assi (resi 31   and name HA  ) (resi 31   and name hb1 ) 3.0 1.2 0.3
assi (resi 31   and name HA  ) (resi 31   and name HD1 ) 4.0 2.2 1.0
assi (resi 31   and name Hn  ) (resi 31   and name HD1 ) 4.0 2.2 1.0
assi (resi 31   and name Hb1 ) (resi 31   and name HD1 ) 3.0 1.2 0.3
assi (resi 31   and name Hb2 ) (resi 31   and name HD1 ) 4.0 2.2 1.0
assi (resi 31   and name HA  ) (resi 31   and name HE3 ) 4.0 2.2 1.0
assi (resi 31   and name hb1 ) (resi 31   and name he3 ) 4.0 2.2 1.0
assi (resi 31   and name Hb2 ) (resi 31   and name HE3 ) 3.0 1.2 0.3
assi (resi 31   and name hb2 ) (resi 31   and name hz2 ) 5.0 2.0 1.0
assi (resi 31   and name hb2 ) (resi 31   and name hz3 ) 5.0 2.0 1.0
assi (resi 31   and name he1 ) (resi 31   and name hn  ) 4.0 2.2 1.0

assi (resi 31   and name hn  ) (resi 32   and name hn  ) 4.0 2.2 1.0
assi (resi 31   and name HA  ) (resi 32   and name HN  ) 4.0 2.2 1.0
assi (resi 31   and name Hb2 ) (resi 32   and name HN  ) 4.0 2.2 1.0
assi (resi 31   and name hd1 ) (resi 32   and name hn  ) 4.0 2.2 1.0
assi (resi 31   and name he3 ) (resi 32   and name hn  ) 4.0 2.2 1.0
assi (resi 31   and name HE3 ) (resi 32   and name HA  ) 3.0 1.2 0.3
assi (resi 31   and name he3 ) (resi 32   and name hb1 ) 4.0 2.2 1.0
assi (resi 31   and name he3 ) (resi 32   and name hb2 ) 4.0 2.2 1.0
assi (resi 31   and name HZ3 ) (resi 32   and name HA  ) 4.0 2.2 1.0
assi (resi 31   and name hz3 ) (resi 32   and name hb1 ) 4.0 2.2 1.0
assi (resi 31   and name hz3 ) (resi 32   and name hb2 ) 4.0 2.2 1.0
assi (resi 31   and name hz2 ) (resi 32   and name ha  ) 4.0 2.2 1.0

assi (resi 31   and name he3 ) (resi 33   and name hn  ) 4.0 2.2 1.0

assi (resi 31   and name hz2 ) (resi 59   and name hg2#) 3.0 1.2 1.8
assi (resi 31   and name hh2 ) (resi 59   and name hg2#) 5.0 2.0 2.5
assi (resi 31   and name he1 ) (resi 59   and name hg2#) 4.0 2.2 2.5

! residue 32 CYS, NOEs FORWARD in sequence
assi (resi 32   and name HN  ) (resi 32   and name HA  ) 4.0 2.2 1.0
assi (resi 32   and name HN  ) (resi 32   and name HB2 ) 4.0 2.2 1.0
assi (resi 32   and name HN  ) (resi 32   and name hb1 ) 4.0 2.2 1.0
assi (resi 32   and name HA  ) (resi 32   and name HB2 ) 4.0 2.2 1.0
assi (resi 32   and name HA  ) (resi 32   and name hb1 ) 4.0 2.2 1.0

assi (resi 32   and name HA  ) (resi 33   and name HN  ) 3.0 1.2 0.3

assi (resi 32   and name HB1 ) (resi 35   and name HN  ) 5.0 2.0 1.0
assi (resi 32   and name HB2 ) (resi 35   and name HN  ) 5.0 2.0 1.0

! residue 33 GLY, NOEs FORWARD in sequence
assi (resi 33   and name HN  ) (resi 33   and name HA1 ) 3.0 1.2 0.3
assi (resi 33   and name HN  ) (resi 33   and name HA2 ) 3.0 1.2 0.3

assi (resi 33   and name HA2 ) (resi 34   and name HD# ) 4.0 2.2 2.0
assi (resi 33   and name HA1 ) (resi 34   and name HD# ) 3.0 1.2 1.3
assi (resi 33   and name HN  ) (resi 34   and name HD# ) 4.0 2.2 2.0

assi (resi 33   and name HA2 ) (resi 35   and name HN  ) 4.0 2.2 1.0

assi (resi 33   and name ha2 ) (resi 36   and name hb1 ) 5.0 2.0 1.0
assi (resi 33   and name ha2 ) (resi 36   and name hd# ) 4.0 2.2 2.0

! residue 34 PRO, NOEs FORWARD in sequence
assi (resi 34   and name HA  ) (resi 34   and name HB2 ) 4.0 2.2 1.0
assi (resi 34   and name HA  ) (resi 34   and name hb1 ) 3.0 1.2 0.3

assi (resi 34   and name HA  ) (resi 35   and name HN  ) 4.0 2.2 1.0
assi (resi 34   and name HB1 ) (resi 35   and name HN  ) 4.0 2.2 1.0
assi (resi 34   and name hb2 ) (resi 35   and name HN  ) 4.0 2.2 1.0

assi (resi 34   and name ha  ) (resi 36   and name hn  ) 4.0 2.2 1.0

assi (resi 34   and name HA  ) (resi 37   and name HB# ) 4.0 2.2 2.0
assi (resi 34   and name HA  ) (resi 37   and name HG# ) 4.0 2.2 2.0
assi (resi 34   and name HA  ) (resi 37   and name HN  ) 4.0 2.2 1.0

assi (resi 34   and name ha  ) (resi 38   and name hn  ) 4.0 2.2 1.0

! residue 35 CYS, NOEs FORWARD in sequence
assi (resi 35   and name HN  ) (resi 35   and name HA  ) 3.0 1.2 0.3
assi (resi 35   and name HN  ) (resi 35   and name HB2 ) 4.0 2.2 1.0
assi (resi 35   and name HN  ) (resi 35   and name HB1 ) 4.0 2.2 1.0
assi (resi 35   and name HA  ) (resi 35   and name HB1 ) 3.0 1.2 0.3
assi (resi 35   and name HA  ) (resi 35   and name hb2 ) 4.0 2.2 1.0

assi (resi 35   and name HN  ) (resi 36   and name HN  ) 3.0 1.2 0.3
assi (resi 35   and name HA  ) (resi 36   and name HN  ) 4.0 2.2 1.0
assi (resi 35   and name HB2 ) (resi 36   and name HN  ) 4.0 2.2 1.0
assi (resi 35   and name hb1 ) (resi 36   and name HN  ) 4.0 2.2 1.0

assi (resi 35   and name ha  ) (resi 37   and name hn  ) 4.0 2.2 1.0

assi (resi 35   and name HA  ) (resi 38   and name HB  ) 4.0 2.2 1.0
assi (resi 35   and name ha  ) (resi 38   and name hn  ) 4.0 2.2 1.0

assi (resi 35   and name HA  ) (resi 75   and name hb1 ) 4.0 2.2 1.0
assi (resi 35   and name HA  ) (resi 75   and name hd# ) 4.0 2.2 2.0

! residue 36 LYS, NOEs FORWARD in sequence
assi (resi 36   and name HN  ) (resi 36   and name HA  ) 3.0 1.2 0.3
assi (resi 36   and name HN  ) (resi 36   and name HB# ) 2.5 0.7 1.2
assi (resi 36   and name HN  ) (resi 36   and name HG# ) 3.0 1.2 1.3
assi (resi 36   and name HN  ) (resi 36   and name HD# ) 5.0 2.0 2.0
assi (resi 36   and name HA  ) (resi 36   and name hb# ) 3.0 1.2 1.3
assi (resi 36   and name HA  ) (resi 36   and name HG1 ) 4.0 2.2 1.0
assi (resi 36   and name HA  ) (resi 36   and name HG2 ) 4.0 2.2 1.0
assi (resi 36   and name HA  ) (resi 36   and name HD# ) 4.0 2.2 2.0
assi (resi 36   and name HB1 ) (resi 36   and name HD# ) 4.0 2.2 1.0
assi (resi 36   and name HG1 ) (resi 36   and name HE# ) 4.0 2.2 2.0
assi (resi 36   and name HG2 ) (resi 36   and name HE# ) 4.0 2.2 2.0

assi (resi 36   and name HN  ) (resi 37   and name HN  ) 4.0 2.2 1.0
assi (resi 36   and name HA  ) (resi 37   and name HN  ) 4.0 2.2 1.0
assi (resi 36   and name HB2 ) (resi 37   and name HN  ) 4.0 2.2 1.0
assi (resi 36   and name hb1 ) (resi 37   and name HN  ) 4.0 2.2 1.0

assi (resi 36   and name ha  ) (resi 39   and name HN  ) 4.0 2.2 1.0
assi (resi 36   and name ha  ) (resi 39   and name Hg# ) 4.0 2.2 2.0
assi (resi 36   and name ha  ) (resi 39   and name Hd# ) 5.0 2.0 2.0

assi (resi 36   and name hg# ) (resi 43   and name Hd2 ) 4.0 2.2 2.0
assi (resi 36   and name hd# ) (resi 43   and name Hd2 ) 4.0 2.2 2.0

! RESIDUE 37 MET, NOES FORWARD IN SEQUENCE
assi (resi 37   and name HN  ) (resi 37   and name HA  ) 3.0 1.2 0.3
assi (resi 37   and name HN  ) (resi 37   and name HB# ) 3.0 1.2 1.3
assi (resi 37   and name HN  ) (resi 37   and name HG1 ) 4.0 2.2 1.0
assi (resi 37   and name HN  ) (resi 37   and name HG2 ) 4.0 2.2 1.0
assi (resi 37   and name HA  ) (resi 37   and name HG1 ) 4.0 2.2 1.0
assi (resi 37   and name HA  ) (resi 37   and name HG2 ) 4.0 2.2 1.0

assi (resi 37   and name HN  ) (resi 38   and name HN  ) 4.0 2.2 1.0
assi (resi 37   and name HA  ) (resi 38   and name HN  ) 4.0 2.2 1.0
assi (resi 37   and name HB# ) (resi 38   and name HN  ) 4.0 2.2 2.0

! RESIDUE 38 ILE, NOES FORWARD IN SEQUENCE
assi (resi 38   and name HN  ) (resi 38   and name HA  ) 4.0 2.2 1.0
assi (resi 38   and name HN  ) (resi 38   and name HB  ) 2.5 0.7 0.2
assi (resi 38   and name HN  ) (resi 38   and name HG2#) 3.0 1.2 1.8
assi (resi 38   and name HA  ) (resi 38   and name HB  ) 4.0 2.2 1.0
assi (resi 38   and name HA  ) (resi 38   and name HG11) 4.0 2.2 1.0
assi (resi 38   and name HA  ) (resi 38   and name HG12) 4.0 2.2 1.0
assi (resi 38   and name HA  ) (resi 38   and name HG2#) 3.0 1.2 1.8
assi (resi 38   and name HA  ) (resi 38   and name HD# ) 3.0 1.2 1.8
assi (resi 38   and name HB  ) (resi 38   and name HD# ) 3.0 1.2 1.8

assi (resi 38   and name HA  ) (resi 39   and name HN  ) 4.0 2.2 1.0
assi (resi 38   and name Hn  ) (resi 39   and name HN  ) 4.0 2.2 1.0
assi (resi 38   and name HG2#) (resi 39   and name HN  ) 3.0 1.2 1.8

assi (resi 38   and name HA  ) (resi 41   and name HN  ) 4.0 2.2 1.0
assi (resi 38   and name HA  ) (resi 41   and name HB2 ) 4.0 2.2 1.0
assi (resi 38   and name HA  ) (resi 41   and name hb1 ) 4.0 2.2 1.0
assi (resi 38   and name HA  ) (resi 41   and name HD2 ) 4.0 2.2 1.0
assi (resi 38   and name Hg1#) (resi 41   and name Hb2 ) 5.0 2.0 2.0
assi (resi 38   and name Hg2#) (resi 41   and name Hb1 ) 5.0 2.0 2.5
assi (resi 38   and name Hg2#) (resi 41   and name Hb2 ) 4.0 2.2 2.5
assi (resi 38   and name Hd# ) (resi 41   and name Hb1 ) 5.0 2.0 2.5
assi (resi 38   and name Hd# ) (resi 41   and name Hb2 ) 5.0 2.0 2.5

assi (resi 38   and name HA  ) (resi 42   and name hn  ) 5.0 2.0 1.0

assi (resi 38   and name Hg2#) (resi 75   and name hb1 ) 5.0 2.0 2.5
assi (resi 38   and name Hg2#) (resi 75   and name hb2 ) 5.0 2.0 2.5

assi (resi 38   and name HG2#) (resi 92   and name HA  ) 5.0 2.0 2.5
assi (resi 38   and name HD# ) (resi 92   and name HA  ) 5.0 2.0 2.5
assi (resi 38   and name HB  ) (resi 92   and name HA  ) 5.0 2.0 1.0
assi (resi 38   and name HG1#) (resi 92   and name HA  ) 5.0 2.0 2.5
assi (resi 38   and name HD# ) (resi 92   and name HB# ) 5.0 2.0 4.0

! RESIDUE 39 LYS, NOES FORWARD IN SEQUENCE
assi (resi 39   and name HN  ) (resi 39   and name HA  ) 4.0 2.2 1.0
assi (resi 39   and name HN  ) (resi 39   and name HB2 ) 4.0 2.2 1.0
assi (resi 39   and name HN  ) (resi 39   and name hb1 ) 4.0 2.2 1.0
assi (resi 39   and name HA  ) (resi 39   and name Hb2 ) 4.0 2.2 1.0
assi (resi 39   and name HA  ) (resi 39   and name hb1 ) 4.0 2.2 1.0

assi (resi 39   and name HN  ) (resi 40   and name HD# ) 3.0 1.2 1.3
assi (resi 39   and name Hd# ) (resi 40   and name HD1 ) 4.0 2.2 2.0
assi (resi 39   and name Hd# ) (resi 40   and name HD2 ) 4.0 2.2 2.0

assi (resi 39   and name HA  ) (resi 42   and name HB2 ) 4.0 2.2 1.0
assi (resi 39   and name HA  ) (resi 42   and name hb1 ) 4.0 2.2 1.0
assi (resi 39   and name HA  ) (resi 42   and name hn  ) 4.0 2.2 1.0

assi (resi 39   and name HA  ) (resi 43   and name hn  ) 5.0 2.0 1.0
assi (resi 39   and name Hg# ) (resi 43   and name hd2 ) 4.0 2.2 2.0
assi (resi 39   and name Hd# ) (resi 43   and name hd2 ) 4.0 2.2 2.0

! residue 40 PRO, NOES FORWARD
assi (resi 40   and name HA  ) (resi 40   and name HB2 ) 3.0 1.2 0.3
assi (resi 40   and name HA  ) (resi 40   and name hb1 ) 4.0 2.2 1.0

assi (resi 40   and name HA  ) (resi 41   and name HN  ) 4.0 2.2 1.0
assi (resi 40   and name HB2 ) (resi 41   and name HN  ) 4.0 2.2 1.0
assi (resi 40   and name hb1 ) (resi 41   and name HN  ) 4.0 2.2 1.0
assi (resi 40   and name HG# ) (resi 41   and name HN  ) 4.0 2.2 1.0
assi (resi 40   and name HD1 ) (resi 41   and name HN  ) 4.0 2.2 1.0
assi (resi 40   and name HD2 ) (resi 41   and name HN  ) 4.0 2.2 1.0

assi (resi 40   and name HA  ) (resi 43   and name HN  ) 4.0 2.2 1.0
assi (resi 40   and name HA  ) (resi 43   and name HB2 ) 4.0 2.2 1.0
assi (resi 40   and name HA  ) (resi 43   and name hb1 ) 4.0 2.2 1.0

assi (resi 40   and name HA  ) (resi 44   and name HN  ) 4.0 2.2 1.0

! RESIDUE 41 PHE, NOES FORWARD
assi (resi 41   and name HN  ) (resi 41   and name HA  ) 4.0 2.2 1.0
assi (resi 41   and name HN  ) (resi 41   and name HB2 ) 4.0 2.2 1.0
assi (resi 41   and name HN  ) (resi 41   and name hb1 ) 4.0 2.2 1.0
assi (resi 41   and name HA  ) (resi 41   and name HD1 ) 3.0 1.2 0.3
assi (resi 41   and name Hn  ) (resi 41   and name HD2 ) 4.0 2.2 1.0
assi (resi 41   and name HA  ) (resi 41   and name HB1 ) 3.0 1.2 0.3
assi (resi 41   and name HA  ) (resi 41   and name hb2 ) 4.0 2.2 1.0
assi (resi 41   and name HB2 ) (resi 41   and name HD2 ) 2.5 0.7 0.2
assi (resi 41   and name hb1 ) (resi 41   and name HD1 ) 2.5 0.7 0.2

assi (resi 41   and name HA  ) (resi 42   and name HN  ) 4.0 2.2 1.0
assi (resi 41   and name HN  ) (resi 42   and name HN  ) 3.0 1.2 0.3
assi (resi 41   and name HD2 ) (resi 42   and name HN  ) 4.0 2.2 1.0
assi (resi 41   and name HB2 ) (resi 42   and name HN  ) 4.0 2.2 1.0
assi (resi 41   and name hb1 ) (resi 42   and name HN  ) 4.0 2.2 1.0

assi (resi 41   and name HA  ) (resi 44   and name HN  ) 4.0 2.2 1.0
assi (resi 41   and name HA  ) (resi 44   and name HB# ) 4.0 2.2 2.0

assi (resi 41   and name HB2 ) (resi 94   and name HG# ) 4.0 2.2 2.0
assi (resi 41   and name HB1 ) (resi 94   and name HG# ) 4.0 2.2 2.0
assi (resi 41   and name HB1 ) (resi 94   and name HD# ) 4.0 2.2 2.0
assi (resi 41   and name HB2 ) (resi 94   and name HD# ) 4.0 2.2 2.0
assi (resi 41   and name HD1 ) (resi 94   and name HG# ) 3.0 1.2 1.3
assi (resi 41   and name HD1 ) (resi 94   and name HD# ) 4.0 2.2 2.0
assi (resi 41   and name Hb1 ) (resi 94   and name He# ) 4.0 2.2 2.0
assi (resi 41   and name Hb2 ) (resi 94   and name He# ) 4.0 2.2 2.0

! RESIDUE 42 PHE, NOES FORWARD
assi (resi 42   and name HN  ) (resi 42   and name HA  ) 3.0 1.2 0.3
assi (resi 42   and name HN  ) (resi 42   and name HB2 ) 3.0 1.2 0.3
assi (resi 42   and name HN  ) (resi 42   and name hb1 ) 3.0 1.2 0.3
assi (resi 42   and name HA  ) (resi 42   and name HB2 ) 3.0 1.2 0.3
assi (resi 42   and name HA  ) (resi 42   and name hb1 ) 4.0 2.2 1.0
assi (resi 42   and name Ha  ) (resi 42   and name HD# ) 2.5 0.7 2.2
assi (resi 42   and name HB2 ) (resi 42   and name HD1 ) 2.5 0.7 0.2
assi (resi 42   and name hb1 ) (resi 42   and name HD2 ) 2.5 0.7 0.2
assi (resi 42   and name HN  ) (resi 42   and name HD2 ) 4.0 2.2 1.0

assi (resi 42   and name HD2 ) (resi 43   and name HN  ) 4.0 2.2 1.0
assi (resi 42   and name HN  ) (resi 43   and name HN  ) 4.0 2.2 1.0
assi (resi 42   and name HA  ) (resi 43   and name HN  ) 4.0 2.2 1.0
assi (resi 42   and name HB2 ) (resi 43   and name HN  ) 4.0 2.2 1.0
assi (resi 42   and name hb1 ) (resi 43   and name HN  ) 4.0 2.2 1.0

assi (resi 42   and name ha  ) (resi 45   and name HN  ) 4.0 2.2 1.0

assi (resi 42   and name HD# ) (resi 54   and name HA  ) 4.0 2.2 3.0
assi (resi 42   and name HD2 ) (resi 54   and name HB1 ) 4.0 2.2 1.0
assi (resi 42   and name HD1 ) (resi 54   and name HD2 ) 4.0 2.2 1.0
assi (resi 42   and name HD1 ) (resi 54   and name HE2 ) 4.0 2.2 1.0
assi (resi 42   and name he# ) (resi 54   and name HA  ) 3.0 1.2 2.3
assi (resi 42   and name hz  ) (resi 54   and name HA  ) 3.0 1.2 0.3
assi (resi 42   and name he# ) (resi 54   and name HB1 ) 4.0 2.2 3.0
assi (resi 42   and name hz  ) (resi 54   and name HB1 ) 4.0 2.2 1.0
assi (resi 42   and name he2 ) (resi 54   and name hb2 ) 4.0 2.2 1.0
assi (resi 42   and name hz  ) (resi 54   and name hb2 ) 4.0 2.2 1.0
assi (resi 42   and name he1 ) (resi 54   and name HD2 ) 3.0 1.2 0.3
assi (resi 42   and name hz  ) (resi 54   and name HD2 ) 3.0 1.2 0.3
assi (resi 42   and name he1 ) (resi 54   and name HE2 ) 4.0 2.2 1.0

assi (resi 42   and name HD# ) (resi 55   and name HN  ) 5.0 2.0 3.0
assi (resi 42   and name hz  ) (resi 55   and name HN  ) 3.0 1.2 0.3
assi (resi 42   and name he# ) (resi 55   and name HN  ) 4.0 2.2 3.0

assi (resi 42   and name HD2 ) (resi 56   and name Ha  ) 4.0 2.2 1.0

assi (resi 42   and name HD1 ) (resi 77   and name HE1 ) 3.0 1.2 0.3
assi (resi 42   and name HD1 ) (resi 77   and name HD1 ) 4.0 2.2 1.0

assi (resi 42   and name HD1 ) (resi 97   and name HD1#) 2.5 0.7 1.7
assi (resi 42   and name HD1 ) (resi 97   and name HD2#) 4.0 2.2 2.5

! RESIDUE 43 HIS, NOES FORWARD
assi (resi 43   and name HN  ) (resi 43   and name HA  ) 3.0 1.2 0.3
assi (resi 43   and name HN  ) (resi 43   and name HB2 ) 3.0 1.2 0.3
assi (resi 43   and name HN  ) (resi 43   and name hb1 ) 3.0 1.2 0.3
assi (resi 43   and name HA  ) (resi 43   and name HB2 ) 3.0 1.2 0.3
assi (resi 43   and name HA  ) (resi 43   and name hb1 ) 4.0 2.2 1.0
assi (resi 43   and name HA  ) (resi 43   and name hd2 ) 4.0 2.2 1.0

assi (resi 43   and name HN  ) (resi 44   and name HN  ) 3.0 1.2 0.3
assi (resi 43   and name HA  ) (resi 44   and name HN  ) 4.0 2.2 1.0
assi (resi 43   and name HB2 ) (resi 44   and name HN  ) 4.0 2.2 1.0
assi (resi 43   and name hb1 ) (resi 44   and name HN  ) 3.0 1.2 0.3

assi (resi 43   and name HA  ) (resi 46   and name HN  ) 4.0 2.2 1.0
assi (resi 43   and name HA  ) (resi 46   and name HB# ) 4.0 2.2 2.0
assi (resi 43   and name HE1 ) (resi 46   and name HA  ) 5.0 2.0 1.0

! RESIDUE 44 SER, NOES FORWARD
assi (resi 44   and name HN  ) (resi 44   and name HA  ) 3.0 1.2 0.3
assi (resi 44   and name HN  ) (resi 44   and name HB# ) 3.0 1.2 1.3
assi (resi 44   and name HA  ) (resi 44   and name HB# ) 2.5 0.7 1.2

assi (resi 44   and name HN  ) (resi 45   and name HN  ) 3.0 1.2 0.3
assi (resi 44   and name HA  ) (resi 45   and name HN  ) 3.0 1.2 0.3
assi (resi 44   and name HB# ) (resi 45   and name HN  ) 3.0 1.2 1.3

assi (resi 44   and name HN  ) (resi 46   and name HN  ) 4.0 2.2 1.0

assi (resi 44   and name HA  ) (resi 47   and name HB2 ) 4.0 2.2 1.0

! RESIDUE 45 LEU, NOES FORWARD
assi (resi 45   and name HN  ) (resi 45   and name HA  ) 4.0 2.2 1.0
assi (resi 45   and name HN  ) (resi 45   and name HB1 ) 4.0 2.2 1.0
assi (resi 45   and name HN  ) (resi 45   and name hb2 ) 3.0 1.2 0.3
assi (resi 45   and name HN  ) (resi 45   and name HG  ) 4.0 2.2 1.0
assi (resi 45   and name HN  ) (resi 45   and name HD* ) 3.0 1.2 2.7
assi (resi 45   and name HA  ) (resi 45   and name HB1 ) 4.0 2.2 1.0
assi (resi 45   and name HA  ) (resi 45   and name hb2 ) 3.0 1.2 0.3
assi (resi 45   and name HA  ) (resi 45   and name HD* ) 2.5 0.7 2.6
assi (resi 45   and name HB2 ) (resi 45   and name HD* ) 3.0 1.2 2.7
assi (resi 45   and name hb1 ) (resi 45   and name HD* ) 3.0 1.2 2.7

assi (resi 45   and name HN  ) (resi 46   and name HN  ) 3.0 1.2 0.3
assi (resi 45   and name HA  ) (resi 46   and name HN  ) 4.0 2.2 1.0
assi (resi 45   and name HB1 ) (resi 46   and name HN  ) 4.0 2.2 1.0
assi (resi 45   and name hb2 ) (resi 46   and name HN  ) 3.0 1.2 0.3
assi (resi 45   and name HG  ) (resi 46   and name HN  ) 4.0 2.2 1.0
assi (resi 45   and name HD* ) (resi 46   and name HN  ) 4.0 2.2 3.4

assi (resi 45   and name HN  ) (resi 47   and name HN  ) 4.0 2.2 1.0

assi (resi 45   and name HA  ) (resi 48   and name HN  ) 4.0 2.2 1.0
assi (resi 45   and name HA  ) (resi 48   and name hb# ) 4.0 2.2 1.0

assi (resi 45   and name HB1 ) (resi 49   and name HD1 ) 4.0 2.2 1.0
assi (resi 45   and name Hb1 ) (resi 49   and name HE1 ) 4.0 2.2 1.0
assi (resi 45   and name HD* ) (resi 49   and name HE1 ) 3.0 1.2 2.7

assi (resi 45   and name HN  ) (resi 54   and name HE# ) 5.0 2.0 3.0
assi (resi 45   and name hb1 ) (resi 54   and name HE# ) 4.0 2.2 3.0
assi (resi 45   and name HB1 ) (resi 54   and name HZ  ) 4.0 2.2 1.0
assi (resi 45   and name HD1#) (resi 54   and name HZ  ) 4.0 2.2 2.5
assi (resi 45   and name HD1#) (resi 54   and name HE2 ) 3.0 1.2 1.8

! RESIDUE 46 SER, NOES FORWARD
assi (resi 46   and name HN  ) (resi 46   and name HA  ) 3.0 1.2 0.3
assi (resi 46   and name HN  ) (resi 46   and name HB2 ) 3.0 1.2 0.3
assi (resi 46   and name HN  ) (resi 46   and name hb1 ) 3.0 1.2 0.3
assi (resi 46   and name HA  ) (resi 46   and name HB2 ) 3.0 1.2 0.3
assi (resi 46   and name HA  ) (resi 46   and name hb1 ) 3.0 1.2 0.3

assi (resi 46   and name hn  ) (resi 47   and name hn  ) 4.0 2.2 1.0
assi (resi 46   and name HA  ) (resi 47   and name HN  ) 4.0 2.2 1.0

assi (resi 46   and name HN  ) (resi 48   and name HN  ) 4.0 2.2 1.0
assi (resi 46   and name HA  ) (resi 48   and name HN  ) 4.0 2.2 1.0

assi (resi 46   and name HA  ) (resi 49   and name HN  ) 4.0 2.2 1.0


assi (resi 46   and name HA  ) (resi 54   and name HD1 ) 3.0 1.2 0.3
assi (resi 46   and name HA  ) (resi 54   and name HZ  ) 5.0 2.0 1.0

! RESIDUE 47 GLU, NOES FORWARD
assi (resi 47   and name HN  ) (resi 47   and name HA  ) 3.0 1.2 0.3
assi (resi 47   and name HN  ) (resi 47   and name HB2 ) 3.0 1.2 0.3
assi (resi 47   and name HN  ) (resi 47   and name HG# ) 2.5 0.7 1.2
assi (resi 47   and name HA  ) (resi 47   and name HB2 ) 4.0 2.2 1.0
assi (resi 47   and name HA  ) (resi 47   and name hb1 ) 3.0 1.2 0.3
assi (resi 47   and name HA  ) (resi 47   and name HG# ) 4.0 2.2 2.0

assi (resi 47   and name HN  ) (resi 48   and name HN  ) 3.0 1.2 0.3
assi (resi 47   and name HA  ) (resi 48   and name HN  ) 4.0 2.2 1.0
assi (resi 47   and name HB2 ) (resi 48   and name HN  ) 4.0 2.2 1.0
assi (resi 47   and name hb1 ) (resi 48   and name HN  ) 4.0 2.2 1.0
assi (resi 47   and name HG# ) (resi 48   and name HN  ) 4.0 2.2 2.0

assi (resi 47   and name ha  ) (resi 50   and name hb# ) 6.0 3.0 99.0

! RESIDUE 48 LYS, NOES FORWARD
assi (resi 48   and name HN  ) (resi 48   and name HA  ) 3.0 1.2 0.3
assi (resi 48   and name HN  ) (resi 48   and name HB2 ) 3.0 1.2 0.3
assi (resi 48   and name HN  ) (resi 48   and name hb1 ) 3.0 1.2 0.3
assi (resi 48   and name HN  ) (resi 48   and name HG1 ) 4.0 2.2 1.0
assi (resi 48   and name HN  ) (resi 48   and name HG2 ) 4.0 2.2 1.0
assi (resi 48   and name HN  ) (resi 48   and name HD1 ) 4.0 2.2 1.0
assi (resi 48   and name HN  ) (resi 48   and name HD2 ) 4.0 2.2 1.0
assi (resi 48   and name HA  ) (resi 48   and name HB# ) 3.0 1.2 1.3
assi (resi 48   and name HA  ) (resi 48   and name HG1 ) 3.0 1.2 0.3
assi (resi 48   and name HA  ) (resi 48   and name HG2 ) 3.0 1.2 0.3
assi (resi 48   and name HA  ) (resi 48   and name HE1 ) 4.0 2.2 1.0
assi (resi 48   and name HA  ) (resi 48   and name HE2 ) 4.0 2.2 1.0
assi (resi 48   and name hb# ) (resi 48   and name HE# ) 4.0 2.2 3.0
assi (resi 48   and name HG1 ) (resi 48   and name HE1 ) 4.0 2.2 1.0
assi (resi 48   and name HG1 ) (resi 48   and name HE2 ) 4.0 2.2 1.0
assi (resi 48   and name HG2 ) (resi 48   and name HE1 ) 4.0 2.2 1.0
assi (resi 48   and name HG2 ) (resi 48   and name HE2 ) 4.0 2.2 1.0

assi (resi 48   and name HN  ) (resi 49   and name HN  ) 3.0 1.2 0.3
assi (resi 48   and name HA  ) (resi 49   and name HN  ) 4.0 2.2 1.0
assi (resi 48   and name HB# ) (resi 49   and name HN  ) 3.0 1.2 0.3
assi (resi 48   and name HG# ) (resi 49   and name HN  ) 4.0 2.2 2.0
assi (resi 48   and name HB2 ) (resi 49   and name HD1 ) 4.0 2.2 1.0
assi (resi 48   and name hb1 ) (resi 49   and name HD1 ) 4.0 2.2 1.0
assi (resi 48   and name hb# ) (resi 49   and name HE1 ) 4.0 2.2 2.0

! RESIDUE 49 TYR, NOES FORWARD
assi (resi 49   and name HN  ) (resi 49   and name HA  ) 4.0 2.2 1.0
assi (resi 49   and name HN  ) (resi 49   and name HB2 ) 4.0 2.2 1.0
assi (resi 49   and name HN  ) (resi 49   and name hb1 ) 4.0 2.2 1.0
assi (resi 49   and name HA  ) (resi 49   and name HE2 ) 4.0 2.2 1.0
assi (resi 49   and name HA  ) (resi 49   and name HB1 ) 3.0 1.2 0.3
assi (resi 49   and name HA  ) (resi 49   and name hb2 ) 4.0 2.2 1.0
assi (resi 49   and name HB1 ) (resi 49   and name HD2 ) 2.5 0.7 0.2
assi (resi 49   and name HB2 ) (resi 49   and name HD1 ) 2.5 0.7 0.2
assi (resi 49   and name HA  ) (resi 49   and name HD2 ) 3.0 1.2 0.3
assi (resi 49   and name HN  ) (resi 49   and name HD1 ) 3.0 1.2 0.3
assi (resi 49   and name hn  ) (resi 49   and name he1 ) 5.0 2.2 1.0

assi (resi 49   and name HN  ) (resi 50   and name HN  ) 4.0 2.2 1.0
assi (resi 49   and name HA  ) (resi 50   and name HN  ) 3.0 1.2 0.3
assi (resi 49   and name HB1 ) (resi 50   and name HN  ) 4.0 2.2 1.0
assi (resi 49   and name HB2 ) (resi 50   and name HN  ) 4.0 2.2 1.0

assi (resi 49   and name HB1 ) (resi 51   and name HN  ) 4.0 2.2 1.0

assi (resi 49   and name HB1 ) (resi 52   and name HB  ) 3.0 1.2 0.3
assi (resi 49   and name HB2 ) (resi 52   and name HB  ) 4.0 2.2 1.0
assi (resi 49   and name HB# ) (resi 52   and name HG1#) 4.0 2.2 3.5
assi (resi 49   and name HB# ) (resi 52   and name HG2#) 3.0 1.2 2.8

assi (resi 49   and name HB1 ) (resi 54   and name HE1 ) 3.0 1.2 0.3
assi (resi 49   and name HB2 ) (resi 54   and name HE1 ) 3.0 1.2 0.3
assi (resi 49   and name HB1 ) (resi 54   and name HZ  ) 4.0 2.2 1.0
assi (resi 49   and name HB2 ) (resi 54   and name HZ  ) 4.0 2.2 1.0
assi (resi 49   and name HN  ) (resi 54   and name HE1 ) 4.0 2.2 1.0
assi (resi 49   and name HN  ) (resi 54   and name HZ  ) 4.0 2.2 1.0

assi (resi 49   and name HE1 ) (resi 98   and name HB2 ) 4.0 2.2 1.0
assi (resi 49   and name HE1 ) (resi 98   and name HG# ) 4.0 2.2 2.0

assi (resi 49   and name Ha  ) (resi 101  and name HG2#) 5.0 2.0 2.5
assi (resi 49   and name Hb# ) (resi 101  and name HG2#) 4.0 2.2 3.5
assi (resi 49   and name HD# ) (resi 101  and name HG2#) 3.0 1.2 3.8
assi (resi 49   and name HE2 ) (resi 101  and name HG2#) 3.0 1.2 1.8


! RESIDUE 50 SER, NOES FORWARD
assi (resi 50   and name HN  ) (resi 50   and name HA  ) 3.0 1.2 0.3
assi (resi 50   and name HN  ) (resi 50   and name HB2 ) 4.0 2.2 1.0
assi (resi 50   and name HN  ) (resi 50   and name hb1 ) 4.0 2.2 1.0
assi (resi 50   and name HA  ) (resi 50   and name HB2 ) 2.5 0.7 0.2
assi (resi 50   and name HA  ) (resi 50   and name hb1 ) 2.5 0.7 0.2

assi (resi 50   and name HN  ) (resi 51   and name HN  ) 3.0 1.2 0.3
assi (resi 50   and name HA  ) (resi 51   and name HN  ) 3.0 1.2 0.3
assi (resi 50   and name HB2 ) (resi 51   and name HN  ) 4.0 2.2 1.0
assi (resi 50   and name hb1 ) (resi 51   and name HN  ) 4.0 2.2 1.0

! RESIDUE 51 ASN, NOES FORWARD
assi (resi 51   and name HN  ) (resi 51   and name HA  ) 3.0 1.2 0.3
assi (resi 51   and name HN  ) (resi 51   and name HB2 ) 2.5 0.7 0.2
assi (resi 51   and name HN  ) (resi 51   and name hb1 ) 2.5 0.7 0.2
assi (resi 51   and name HA  ) (resi 51   and name HB1 ) 4.0 2.2 1.0
assi (resi 51   and name HA  ) (resi 51   and name HB2 ) 4.0 2.2 1.0
assi (resi 51   and name HB1 ) (resi 51   and name HD2#) 3.0 1.2 1.3
assi (resi 51   and name HB2 ) (resi 51   and name HD2#) 3.0 1.2 1.3

assi (resi 51   and name HN  ) (resi 52   and name HN  ) 3.0 1.2 0.3
assi (resi 51   and name HA  ) (resi 52   and name HN  ) 4.0 2.2 1.0
assi (resi 51   and name HB# ) (resi 52   and name HN  ) 4.0 2.2 2.0
assi (resi 51   and name HN  ) (resi 52   and name HG2#) 4.0 2.2 2.5

! RESIDUE 52 VAL, NOES FORWARD
assi (resi 52   and name HA  ) (resi 52   and name HN  ) 4.0 2.2 1.0
assi (resi 52   and name HB  ) (resi 52   and name HN  ) 4.0 2.2 1.0
assi (resi 52   and name HG1#) (resi 52   and name HN  ) 4.0 2.2 2.5
assi (resi 52   and name HG2#) (resi 52   and name HN  ) 4.0 2.2 2.5
assi (resi 52   and name HA  ) (resi 52   and name HB  ) 4.0 2.2 1.0
assi (resi 52   and name HA  ) (resi 52   and name HG1#) 3.0 1.2 1.8
assi (resi 52   and name HA  ) (resi 52   and name HG2#) 3.0 1.2 1.8

assi (resi 52   and name HA  ) (resi 53   and name HN  ) 2.5 0.7 0.2
assi (resi 52   and name HG1#) (resi 53   and name HN  ) 3.0 1.2 1.8
assi (resi 52   and name HG1#) (resi 53   and name HA  ) 4.0 2.2 2.5

assi (resi 52   and name HB  ) (resi 54   and name HD1 ) 4.0 2.2 1.0
assi (resi 52   and name HG1#) (resi 54   and name HD# ) 4.0 2.2 4.5
assi (resi 52   and name HG2#) (resi 54   and name HD# ) 4.0 2.2 4.5
assi (resi 52   and name HG1#) (resi 54   and name HZ  ) 4.0 2.2 2.5
assi (resi 52   and name HG1#) (resi 54   and name HE# ) 3.0 1.2 3.8
assi (resi 52   and name HG2#) (resi 54   and name HE1 ) 3.0 1.2 1.8
assi (resi 52   and name HB  ) (resi 54   and name HE1 ) 2.5 0.7 0.2

! RESIDUE 53 ILE, NOES FORWARD
assi (resi 53   and name HA  ) (resi 53   and name HN  ) 3.0 1.2 0.3
assi (resi 53   and name HB  ) (resi 53   and name HN  ) 3.0 1.2 0.3
assi (resi 53   and name HG1#) (resi 53   and name HN  ) 4.0 2.2 2.0
assi (resi 53   and name HG2#) (resi 53   and name HN  ) 3.0 1.2 1.8
assi (resi 53   and name HD# ) (resi 53   and name HN  ) 3.0 1.2 1.8
assi (resi 53   and name HA  ) (resi 53   and name HB  ) 4.0 2.2 1.0
assi (resi 53   and name HA  ) (resi 53   and name HG1#) 3.0 1.2 1.3
assi (resi 53   and name HA  ) (resi 53   and name HG2#) 3.0 1.2 1.8
assi (resi 53   and name HB  ) (resi 53   and name HD# ) 3.0 1.2 1.8

assi (resi 53   and name HA  ) (resi 54   and name HN  ) 2.5 0.7 0.2
assi (resi 53   and name HB  ) (resi 54   and name HN  ) 4.0 2.2 1.0
assi (resi 53   and name HG2#) (resi 54   and name HN  ) 3.0 1.2 1.8
assi (resi 53   and name HA  ) (resi 54   and name HD1 ) 3.0 1.2 0.3
assi (resi 53   and name HG2#) (resi 54   and name HA  ) 4.0 2.2 2.5
assi (resi 53   and name HA  ) (resi 54   and name HA  ) 4.0 2.2 1.0

assi (resi 53   and name HG2#) (resi 55   and name HA  ) 4.0 2.2 2.5

! RESIDUE 54 PHE, NOES FORWARD
assi (resi 54   and name HN  ) (resi 54   and name HA  ) 4.0 2.2 1.0
assi (resi 54   and name HN  ) (resi 54   and name HB1 ) 4.0 2.2 1.0
assi (resi 54   and name HN  ) (resi 54   and name hb2 ) 3.0 1.2 0.3
assi (resi 54   and name HA  ) (resi 54   and name HB1 ) 3.0 1.2 0.3
assi (resi 54   and name HA  ) (resi 54   and name hb2 ) 4.0 2.2 1.0
assi (resi 54   and name HA  ) (resi 54   and name HE2 ) 4.0 2.2 1.0
assi (resi 54   and name HA  ) (resi 54   and name HD2 ) 3.0 1.2 0.3
assi (resi 54   and name HB2 ) (resi 54   and name HD1 ) 3.0 1.2 0.3
assi (resi 54   and name hb1 ) (resi 54   and name HD2 ) 3.0 1.2 0.3
assi (resi 54   and name HN  ) (resi 54   and name HD1 ) 3.0 1.2 0.3
assi (resi 54   and name HN  ) (resi 54   and name HE1 ) 4.0 2.2 1.0

assi (resi 54   and name HD2 ) (resi 55   and name HN  ) 4.0 2.2 1.0
assi (resi 54   and name HA  ) (resi 55   and name HA  ) 4.0 2.2 1.0
assi (resi 54   and name HN  ) (resi 55   and name HN  ) 4.0 2.2 1.0
assi (resi 54   and name HA  ) (resi 55   and name HN  ) 2.5 0.7 0.2
assi (resi 54   and name HB2 ) (resi 55   and name HN  ) 4.0 2.2 1.0
assi (resi 54   and name hb1 ) (resi 55   and name HN  ) 4.0 2.2 1.0

assi (resi 54   and name HE2 ) (resi 101  and name HG1#) 3.0 1.2 1.3
assi (resi 54   and name HZ  ) (resi 101  and name HG1#) 4.0 2.2 2.0
assi (resi 54   and name HE# ) (resi 101  and name HG2#) 4.0 2.2 4.5
assi (resi 54   and name HZ  ) (resi 101  and name HG2#) 4.0 2.2 2.5

! RESIDUE 55 LEU, NOES FORWARD
assi (resi 55   and name HA  ) (resi 55   and name HN  ) 4.0 2.2 1.0
assi (resi 55   and name HN  ) (resi 55   and name HB2 ) 3.0 1.2 0.3
assi (resi 55   and name HN  ) (resi 55   and name hb1 ) 4.0 2.2 1.0
assi (resi 55   and name HN  ) (resi 55   and name HG  ) 4.0 2.2 1.0
assi (resi 55   and name HN  ) (resi 55   and name HD1#) 3.0 1.2 1.8
assi (resi 55   and name HN  ) (resi 55   and name HD2#) 3.0 1.2 1.8
assi (resi 55   and name HB2 ) (resi 55   and name HA  ) 4.0 2.2 1.0
assi (resi 55   and name hb1 ) (resi 55   and name HA  ) 3.0 1.2 0.3
assi (resi 55   and name HG  ) (resi 55   and name HA  ) 4.0 2.2 1.0
assi (resi 55   and name HD1#) (resi 55   and name HA  ) 4.0 2.2 2.5
assi (resi 55   and name HD2#) (resi 55   and name HA  ) 3.0 1.2 1.8
assi (resi 55   and name HB2 ) (resi 55   and name HD1#) 3.0 1.2 1.8
assi (resi 55   and name HB2 ) (resi 55   and name HD2#) 3.0 1.2 1.8
assi (resi 55   and name hb1 ) (resi 55   and name HD1#) 3.0 1.2 1.8
assi (resi 55   and name hb1 ) (resi 55   and name HD2#) 3.0 1.2 1.8

assi (resi 55   and name HA  ) (resi 56   and name HN  ) 3.0 1.2 0.3
assi (resi 55   and name HB2 ) (resi 56   and name HN  ) 3.0 1.2 0.3
assi (resi 55   and name hb1 ) (resi 56   and name HN  ) 4.0 2.2 1.0

assi (resi 55   and name HD1#) (resi 56   and name HN  ) 4.0 2.2 2.5

assi (resi 55   and name HD2#) (resi 80   and name hn  ) 5.0 2.0 2.5

! RESIDUE 56 GLU, NOES FORWARD
assi (resi 56   and name HA  ) (resi 56   and name HN  ) 4.0 2.2 1.0
assi (resi 56   and name HG1 ) (resi 56   and name HN  ) 4.0 2.2 1.0
assi (resi 56   and name HG2 ) (resi 56   and name HN  ) 4.0 2.2 1.0
assi (resi 56   and name HB# ) (resi 56   and name HN  ) 4.0 2.2 2.0
assi (resi 56   and name HA  ) (resi 56   and name HB# ) 3.0 1.2 1.3
assi (resi 56   and name HA  ) (resi 56   and name HG1 ) 4.0 2.2 1.0
assi (resi 56   and name HA  ) (resi 56   and name HG2 ) 4.0 2.2 1.0

assi (resi 56   and name HA  ) (resi 57   and name HN  ) 3.0 1.2 0.3
assi (resi 56   and name HB# ) (resi 57   and name HN  ) 3.0 1.2 1.3
assi (resi 56   and name HG1 ) (resi 57   and name HN  ) 4.0 2.2 1.0
assi (resi 56   and name HG2 ) (resi 57   and name HN  ) 4.0 2.2 1.0

! RESIDUE 57 VAL, NOES FORWARD
assi (resi 57   and name HN  ) (resi 57   and name HA  ) 3.0 1.2 0.3
assi (resi 57   and name HB  ) (resi 57   and name HN  ) 3.0 1.2 0.3
assi (resi 57   and name HG1#) (resi 57   and name HN  ) 3.0 1.2 1.8
assi (resi 57   and name HG2#) (resi 57   and name HN  ) 3.0 1.2 1.8
assi (resi 57   and name HA  ) (resi 57   and name HB  ) 4.0 2.2 1.0
assi (resi 57   and name HA  ) (resi 57   and name HG1#) 2.5 0.7 1.7
assi (resi 57   and name HA  ) (resi 57   and name HG2#) 2.5 0.7 1.7

assi (resi 57   and name HA  ) (resi 58   and name HN  ) 2.5 0.7 0.2
assi (resi 57   and name HG1#) (resi 58   and name HN  ) 2.5 0.7 1.7
assi (resi 57   and name HG2#) (resi 58   and name HN  ) 3.0 1.2 1.8

assi (resi 57   and name HG1#) (resi 62   and name HN  ) 4.0 2.2 2.5
assi (resi 57   and name HG1#) (resi 62   and name HB2 ) 3.0 1.2 1.8
assi (resi 57   and name HG1#) (resi 62   and name hb1 ) 3.0 1.2 1.8
assi (resi 57   and name HG1#) (resi 62   and name HA  ) 4.0 2.2 2.5

assi (resi 57   and name HG1#) (resi 65   and name Hb  ) 3.0 1.2 1.8
assi (resi 57   and name HG2#) (resi 65   and name Hb  ) 4.0 2.2 2.5
assi (resi 57   and name HG1#) (resi 65   and name Hg1#) 4.0 2.2 4.0
assi (resi 57   and name HG2#) (resi 65   and name Hg1#) 4.0 2.2 4.0

! RESIDUE 58 ASP, NOES FORWARD
assi (resi 58   and name HN  ) (resi 58   and name HA  ) 3.0 1.2 0.3
assi (resi 58   and name HN  ) (resi 58   and name HB2 ) 2.5 0.7 0.2
assi (resi 58   and name HN  ) (resi 58   and name hb1 ) 2.5 0.7 0.2
assi (resi 58   and name HA  ) (resi 58   and name HB2 ) 3.0 1.2 0.3
assi (resi 58   and name HA  ) (resi 58   and name hb1 ) 4.0 2.2 1.0

assi (resi 58   and name HA  ) (resi 59   and name HA  ) 4.0 2.2 1.0
assi (resi 58   and name HA  ) (resi 59   and name HG1#) 4.0 2.2 2.5
assi (resi 58   and name HA  ) (resi 59   and name HG2#) 4.0 2.2 2.5
assi (resi 58   and name HA  ) (resi 59   and name HN  ) 4.0 2.2 1.0

assi (resi 58   and name HA  ) (resi 60   and name HN  ) 4.0 2.2 1.0
assi (resi 58   and name HB2 ) (resi 60   and name HN  ) 4.0 2.2 1.0

assi (resi 58   and name HB2 ) (resi 61   and name HN  ) 5.0 2.0 1.0
assi (resi 58   and name hb1 ) (resi 61   and name HN  ) 4.0 2.2 1.0

assi (resi 58   and name HN  ) (resi 62   and name hb1 ) 4.0 2.2 1.0
assi (resi 58   and name HN  ) (resi 62   and name hb2 ) 4.0 2.2 1.0

! RESIDUE 59 VAL, NOES FORWARD
assi (resi 59   and name HN  ) (resi 59   and name HA  ) 4.0 2.2 1.0
assi (resi 59   and name HN  ) (resi 59   and name HB  ) 4.0 2.2 1.0
assi (resi 59   and name HN  ) (resi 59   and name HG1#) 3.0 1.2 1.8
assi (resi 59   and name HN  ) (resi 59   and name HG2#) 3.0 1.2 1.8
assi (resi 59   and name HA  ) (resi 59   and name HB  ) 2.5 0.7 0.2
assi (resi 59   and name HA  ) (resi 59   and name HG1#) 3.0 1.2 1.8
assi (resi 59   and name HA  ) (resi 59   and name HG2#) 3.0 1.2 1.8

assi (resi 59   and name HN  ) (resi 60   and name HN  ) 4.0 2.2 1.0
assi (resi 59   and name HA  ) (resi 60   and name HN  ) 3.0 1.2 0.3
assi (resi 59   and name HB  ) (resi 60   and name HN  ) 4.0 2.2 1.0
assi (resi 59   and name HG1#) (resi 60   and name HN  ) 4.0 2.2 2.5
assi (resi 59   and name HG2#) (resi 60   and name HN  ) 3.0 1.2 1.8
assi (resi 59   and name HG2#) (resi 60   and name HA  ) 4.0 2.2 2.5

assi (resi 59   and name HA  ) (resi 61   and name HN  ) 4.0 2.2 1.0
assi (resi 59   and name HG2#) (resi 61   and name HN  ) 4.0 2.2 2.5

assi (resi 59   and name HA  ) (resi 62   and name HN  ) 4.0 2.2 1.0
assi (resi 59   and name HB  ) (resi 62   and name HN  ) 5.0 2.0 1.0
assi (resi 59   and name HA  ) (resi 62   and name HB# ) 4.0 2.2 2.0
assi (resi 59   and name HA  ) (resi 62   and name HA  ) 5.0 2.0 1.0
assi (resi 59   and name HG1#) (resi 62   and name HN  ) 5.0 2.0 2.5

assi (resi 59   and name HA  ) (resi 63   and name HG# ) 4.0 2.2 2.0
assi (resi 59   and name HA  ) (resi 63   and name HA  ) 4.0 2.2 1.0
assi (resi 59   and name HG1#) (resi 63   and name HA  ) 4.0 2.2 2.5
assi (resi 59   and name HG2#) (resi 63   and name HA  ) 4.0 2.2 2.5

assi (resi 59   and name HA  ) (resi 66   and name HN  ) 4.0 2.2 1.0
assi (resi 59   and name HG1#) (resi 66   and name HA  ) 4.0 2.2 2.5
assi (resi 59   and name HG1#) (resi 66   and name Hb# ) 3.0 1.2 3.3
assi (resi 59   and name Hb  ) (resi 66   and name Hb# ) 2.5 0.7 1.7

assi (resi 59   and name HG1#) (resi 71   and name hg2#) 4.0 2.2 4.0

assi (resi 59   and name HG1#) (resi 74   and name HG2#) 3.0 1.2 3.3

! RESIDUE 60 ASP, NOES FORWARD
assi (resi 60   and name HN  ) (resi 60   and name HA  ) 4.0 2.2 1.0
assi (resi 60   and name HN  ) (resi 60   and name HB2 ) 4.0 2.2 1.0
assi (resi 60   and name HN  ) (resi 60   and name hb1 ) 3.0 1.2 0.3
assi (resi 60   and name HA  ) (resi 60   and name HB2 ) 3.0 1.2 2.3
assi (resi 60   and name HA  ) (resi 60   and name hb1 ) 4.0 2.2 1.0

assi (resi 60   and name HN  ) (resi 61   and name HN  ) 2.5 0.7 0.2
assi (resi 60   and name HA  ) (resi 61   and name HN  ) 4.0 2.2 1.0

assi (resi 60   and name HN  ) (resi 62   and name HN  ) 3.0 1.2 0.3

assi (resi 60   and name HA  ) (resi 63   and name HB# ) 5.0 2.0 2.0
assi (resi 60   and name HA  ) (resi 63   and name HG# ) 4.0 2.2 2.0

! RESIDUE 61 ASP, NOES FORWARD
assi (resi 61   and name HN  ) (resi 61   and name HA  ) 3.0 1.2 0.3
assi (resi 61   and name HN  ) (resi 61   and name HB2 ) 4.0 2.2 1.0
assi (resi 61   and name HN  ) (resi 61   and name hb1 ) 2.5 0.7 0.2
assi (resi 61   and name HA  ) (resi 61   and name HB2 ) 3.0 1.2 0.3
assi (resi 61   and name HA  ) (resi 61   and name hb1 ) 3.0 1.2 0.3

assi (resi 61   and name HN  ) (resi 62   and name HN  ) 2.5 0.7 0.2
assi (resi 61   and name HA  ) (resi 62   and name HN  ) 4.0 2.2 1.0
assi (resi 61   and name HB2 ) (resi 62   and name HN  ) 4.0 2.2 1.0
assi (resi 61   and name hb1 ) (resi 62   and name HN  ) 4.0 2.2 1.0
assi (resi 61   and name HA  ) (resi 62   and name HA  ) 4.0 2.2 1.0


! RESIDUE 62 CYS, NOES FORWARD
assi (resi 62   and name HN  ) (resi 62   and name HA  ) 4.0 2.2 1.0
assi (resi 62   and name HN  ) (resi 62   and name HB2 ) 4.0 2.2 1.0
assi (resi 62   and name HN  ) (resi 62   and name hb1 ) 4.0 2.2 1.0
assi (resi 62   and name HA  ) (resi 62   and name HB2 ) 3.0 1.2 0.3
assi (resi 62   and name HA  ) (resi 62   and name hb1 ) 3.0 1.2 0.3

assi (resi 62   and name HN  ) (resi 63   and name HN  ) 4.0 2.2 1.0
assi (resi 62   and name HA  ) (resi 63   and name HN  ) 3.0 1.2 0.3
assi (resi 62   and name HA  ) (resi 63   and name HG# ) 4.0 2.2 2.0
assi (resi 62   and name HB# ) (resi 63   and name HN  ) 4.0 2.2 2.0

assi (resi 62   and name HA  ) (resi 64   and name HN  ) 3.0 1.2 0.3

assi (resi 62   and name HA  ) (resi 65   and name HN  ) 4.0 2.2 1.0
assi (resi 62   and name HA  ) (resi 65   and name HB  ) 4.0 2.2 1.0
assi (resi 62   and name HA  ) (resi 65   and name HG1#) 5.0 2.0 2.5
assi (resi 62   and name HA  ) (resi 65   and name HG2#) 4.0 2.2 2.5
assi (resi 62   and name HB# ) (resi 65   and name HB  ) 3.0 1.2 1.3
assi (resi 62   and name HB2 ) (resi 65   and name HG1#) 4.0 2.2 2.5
assi (resi 62   and name hb1 ) (resi 65   and name HG1#) 4.0 2.2 2.5
assi (resi 62   and name HB2 ) (resi 65   and name HG2#) 3.0 1.2 1.8
assi (resi 62   and name hb1 ) (resi 65   and name HG2#) 3.0 1.2 1.8

! RESIDUE 63 GLN, NOES FORWARD
assi (resi 63   and name HN  ) (resi 63   and name HA  ) 2.5 0.7 0.2
assi (resi 63   and name HN  ) (resi 63   and name HB# ) 2.5 0.7 1.2
assi (resi 63   and name HN  ) (resi 63   and name HG# ) 3.0 1.2 1.3
assi (resi 63   and name HG# ) (resi 63   and name HE2#) 2.5 0.7 2.2
assi (resi 63   and name HA  ) (resi 63   and name HB# ) 3.0 1.2 1.3
assi (resi 63   and name HA  ) (resi 63   and name HG# ) 3.0 1.2 1.3

assi (resi 63   and name HN  ) (resi 64   and name HN  ) 2.5 0.7 0.2
assi (resi 63   and name HA  ) (resi 64   and name HN  ) 3.0 1.2 0.3
assi (resi 63   and name HG# ) (resi 64   and name HN  ) 4.0 2.2 2.0
assi (resi 63   and name HB# ) (resi 64   and name HN  ) 3.0 1.2 1.3

assi (resi 63   and name HN  ) (resi 65   and name HN  ) 4.0 2.2 1.0
assi (resi 63   and name HA  ) (resi 65   and name HN  ) 4.0 2.2 1.0

assi (resi 63   and name HA  ) (resi 66   and name HA  ) 5.0 2.0 1.0
assi (resi 63   and name HA  ) (resi 66   and name HB# ) 3.0 1.2 1.8

assi (resi 63   and name HA  ) (resi 67   and name HN  ) 4.0 2.2 1.0

! RESIDUE 64 ASP, NOES FORWARD
assi (resi 64   and name HN  ) (resi 64   and name HA  ) 2.5 0.7 0.2
assi (resi 64   and name HN  ) (resi 64   and name HB2 ) 4.0 2.2 1.0
assi (resi 64   and name HN  ) (resi 64   and name hb1 ) 3.0 1.2 0.3
assi (resi 64   and name HA  ) (resi 64   and name HB2 ) 3.0 1.2 0.3
assi (resi 64   and name HA  ) (resi 64   and name hb1 ) 3.0 1.2 0.3

assi (resi 64   and name HN  ) (resi 65   and name HN  ) 2.5 0.7 0.2
assi (resi 64   and name HN  ) (resi 65   and name HB  ) 4.0 2.2 1.0
assi (resi 64   and name HN  ) (resi 65   and name HG2#) 3.0 1.2 1.8
assi (resi 64   and name HA  ) (resi 65   and name HN  ) 3.0 1.2 0.3
assi (resi 64   and name HB2 ) (resi 65   and name HN  ) 4.0 2.2 1.0
assi (resi 64   and name hb1 ) (resi 65   and name HN  ) 4.0 2.2 1.0

assi (resi 64   and name HN  ) (resi 66   and name HN  ) 4.0 2.2 1.0

assi (resi 64   and name HN  ) (resi 67   and name HN  ) 4.0 2.2 1.0
assi (resi 64   and name HA  ) (resi 67   and name HN  ) 4.0 2.2 1.0
assi (resi 64   and name HA  ) (resi 67   and name HB# ) 3.0 1.2 1.3

assi (resi 64   and name HA  ) (resi 68   and name HN  ) 4.0 2.2 1.0

! RESIDUE 65 VAL, NOES FORWARD
assi (resi 65   and name HN  ) (resi 65   and name HA  ) 2.5 0.7 0.2
assi (resi 65   and name HN  ) (resi 65   and name HB  ) 2.5 0.7 0.2
assi (resi 65   and name HN  ) (resi 65   and name HG1#) 4.0 2.2 2.5
assi (resi 65   and name HN  ) (resi 65   and name HG2#) 2.5 0.7 1.7
assi (resi 65   and name HA  ) (resi 65   and name HB  ) 2.5 0.7 0.2
assi (resi 65   and name HA  ) (resi 65   and name HG1#) 2.5 0.7 1.7
assi (resi 65   and name HA  ) (resi 65   and name HG2#) 2.5 0.7 1.7

assi (resi 65   and name HN  ) (resi 66   and name HB# ) 4.0 2.2 2.5
assi (resi 65   and name HG1#) (resi 66   and name HA  ) 4.0 2.2 2.5
assi (resi 65   and name HN  ) (resi 66   and name HN  ) 4.0 2.2 1.0
assi (resi 65   and name HA  ) (resi 66   and name HN  ) 3.0 1.2 0.3
assi (resi 65   and name HB  ) (resi 66   and name HN  ) 2.5 0.7 0.2
assi (resi 65   and name HG1#) (resi 66   and name HN  ) 3.0 1.2 1.8
assi (resi 65   and name HG2#) (resi 66   and name HN  ) 3.0 1.2 1.8

assi (resi 65   and name HN  ) (resi 67   and name HN  ) 4.0 2.2 1.0
assi (resi 65   and name HA  ) (resi 67   and name HN  ) 4.0 2.2 1.0
assi (resi 65   and name HB  ) (resi 67   and name HN  ) 4.0 2.2 1.0
assi (resi 65   and name HG1#) (resi 67   and name HN  ) 4.0 2.2 2.5
assi (resi 65   and name HG2#) (resi 67   and name HN  ) 4.0 2.2 2.5

assi (resi 65   and name HA  ) (resi 68   and name HN  ) 4.0 2.2 1.0
assi (resi 65   and name HG1#) (resi 68   and name HN  ) 4.0 2.2 2.5
assi (resi 65   and name HA  ) (resi 68   and name HB2 ) 3.0 1.2 0.3
assi (resi 65   and name HA  ) (resi 68   and name hb1 ) 3.0 1.2 0.3
assi (resi 65   and name HA  ) (resi 68   and name HG1 ) 4.0 2.2 1.0
assi (resi 65   and name HA  ) (resi 68   and name HG2 ) 4.0 2.2 1.0

assi (resi 65   and name HA  ) (resi 69   and name HN  ) 4.0 2.2 1.0
assi (resi 65   and name HG1#) (resi 69   and name HN  ) 5.0 2.0 2.5
assi (resi 65   and name HG2#) (resi 69   and name HN  ) 5.0 2.0 2.5

assi (resi 65   and name HG1#) (resi 71   and name hg2#) 4.0 2.2 4.0

! RESIDUE 66 ALA, NOES FORWARD
assi (resi 66   and name HN  ) (resi 66   and name HA  ) 2.5 0.7 0.2
assi (resi 66   and name HN  ) (resi 66   and name HB# ) 2.5 0.7 1.7
assi (resi 66   and name HA  ) (resi 66   and name HB# ) 2.5 0.7 1.7

assi (resi 66   and name HN  ) (resi 67   and name HN  ) 2.5 0.7 0.2
assi (resi 66   and name HA  ) (resi 67   and name HN  ) 3.0 1.2 0.3
assi (resi 66   and name HB# ) (resi 67   and name HN  ) 2.5 0.7 1.7
assi (resi 66   and name HB# ) (resi 67   and name HA  ) 3.0 1.2 1.8

assi (resi 66   and name HA  ) (resi 68   and name HN  ) 4.0 2.2 1.0
assi (resi 66   and name HB# ) (resi 68   and name HN  ) 4.0 2.2 2.5
assi (resi 66   and name HB# ) (resi 69   and name HN  ) 4.0 2.2 2.5
assi (resi 66   and name HA  ) (resi 69   and name HB2 ) 3.0 1.2 0.3

! RESIDUE 67 SER, NOES FORWARD
assi (resi 67   and name HN  ) (resi 67   and name HA  ) 2.5 0.7 0.2
assi (resi 67   and name HA  ) (resi 67   and name HB# ) 2.5 0.7 1.2

assi (resi 67   and name HN  ) (resi 68   and name HN  ) 2.5 0.7 0.2
assi (resi 67   and name HA  ) (resi 68   and name HN  ) 3.0 1.2 0.3
assi (resi 67   and name HB# ) (resi 68   and name HN  ) 2.5 0.7 1.2

assi (resi 67   and name HA  ) (resi 69   and name HN  ) 4.0 2.2 1.0

assi (resi 67   and name HA  ) (resi 70   and name HN  ) 3.0 1.2 0.3
assi (resi 67   and name HA  ) (resi 70   and name HA  ) 4.0 2.2 1.0
assi (resi 67   and name HA  ) (resi 70   and name HB# ) 4.0 2.2 2.0

assi (resi 67   and name HA  ) (resi 71   and name HN  ) 4.0 2.2 1.0

! RESIDUE 68 GLU, NOES FORWARD
assi (resi 68   and name HN  ) (resi 68   and name HA  ) 2.5 0.7 0.2
assi (resi 68   and name HN  ) (resi 68   and name hb# ) 2.5 0.7 1.2
assi (resi 68   and name HN  ) (resi 68   and name HG# ) 3.0 1.2 1.3
assi (resi 68   and name HA  ) (resi 68   and name hb# ) 3.0 1.2 1.3
assi (resi 68   and name HA  ) (resi 68   and name HG# ) 3.0 1.2 1.3

assi (resi 68   and name HN  ) (resi 69   and name HN  ) 2.5 0.7 0.2
assi (resi 68   and name HA  ) (resi 69   and name HN  ) 3.0 1.2 0.3
assi (resi 68   and name HB# ) (resi 69   and name HN  ) 3.0 1.2 1.3

assi (resi 68   and name HN  ) (resi 70   and name HN  ) 4.0 2.2 1.0
assi (resi 68   and name HA  ) (resi 70   and name HN  ) 4.0 2.2 1.0

assi (resi 68   and name HN  ) (resi 71   and name HN  ) 4.0 2.2 1.0

! RESIDUE 69 CYS, NOES FORWARD
assi (resi 69   and name HN  ) (resi 69   and name HA  ) 3.0 1.2 0.3
assi (resi 69   and name HN  ) (resi 69   and name HB2 ) 2.5 0.7 0.2
assi (resi 69   and name HN  ) (resi 69   and name hb1 ) 4.0 2.2 1.0
assi (resi 69   and name HA  ) (resi 69   and name HB2 ) 3.0 1.2 0.3
assi (resi 69   and name HA  ) (resi 69   and name hb1 ) 3.0 1.2 0.3

assi (resi 69   and name HN  ) (resi 70   and name HN  ) 4.0 2.2 1.0
assi (resi 69   and name HA  ) (resi 70   and name HN  ) 3.0 1.2 0.3
assi (resi 69   and name HB2 ) (resi 70   and name HN  ) 4.0 2.2 1.0
assi (resi 69   and name hb1 ) (resi 70   and name HN  ) 4.0 2.2 1.0

assi (resi 69   and name HB2 ) (resi 71   and name hg2#) 2.5 0.7 1.7
assi (resi 69   and name hb1 ) (resi 71   and name hg2#) 2.5 0.7 1.7

assi (resi 69   and name HA  ) (resi 78   and name HE2#) 4.0 2.2 2.0
assi (resi 69   and name HB2 ) (resi 78   and name HE21) 4.0 2.2 1.0
assi (resi 69   and name HB2 ) (resi 78   and name HE22) 4.0 2.2 1.0
assi (resi 69   and name hb1 ) (resi 78   and name HE21) 3.0 1.2 0.3
assi (resi 69   and name hb1 ) (resi 78   and name HE22) 3.0 1.2 0.3

! RESIDUE 70 GLU, NOES FORWARD
assi (resi 70   and name HN  ) (resi 70   and name HA  ) 2.5 0.7 0.2
assi (resi 70   and name HN  ) (resi 70   and name HB# ) 3.0 1.2 1.3
assi (resi 70   and name HN  ) (resi 70   and name HG# ) 4.0 2.2 2.0
assi (resi 70   and name HA  ) (resi 70   and name HB# ) 2.5 0.7 1.2
assi (resi 70   and name HA  ) (resi 70   and name HG# ) 4.0 2.2 2.0

assi (resi 70   and name HA  ) (resi 71   and name HN  ) 2.5 0.7 0.2
assi (resi 70   and name HB# ) (resi 71   and name HN  ) 4.0 2.2 2.0
assi (resi 70   and name HN  ) (resi 71   and name HA  ) 5.0 2.0 1.0
assi (resi 70   and name HN  ) (resi 71   and name hg2#) 4.0 2.2 1.5

! RESIDUE 71 VAL, NOES FORWARD
assi (resi 71   and name HN  ) (resi 71   and name HA  ) 3.0 1.2 0.3
assi (resi 71   and name HN  ) (resi 71   and name HB  ) 3.0 1.2 0.3
assi (resi 71   and name HN  ) (resi 71   and name hg2#) 2.5 0.7 1.7
assi (resi 71   and name HN  ) (resi 71   and name hg1#) 4.0 2.2 2.5
assi (resi 71   and name HA  ) (resi 71   and name hg2#) 3.0 1.2 1.8
assi (resi 71   and name HA  ) (resi 71   and name hg1#) 3.0 1.2 1.8

assi (resi 71   and name HN  ) (resi 72   and name HN  ) 4.0 2.2 1.0
assi (resi 71   and name HA  ) (resi 72   and name HN  ) 2.5 0.7 0.2
assi (resi 71   and name HB  ) (resi 72   and name HN  ) 3.0 1.2 0.3
assi (resi 71   and name hg2#) (resi 72   and name HN  ) 5.0 2.0 2.5
assi (resi 71   and name hg1#) (resi 72   and name HN  ) 3.0 1.2 1.8

assi (resi 71   and name HA  ) (resi 73   and name HN  ) 4.0 2.2 1.0
assi (resi 71   and name HB  ) (resi 73   and name HN  ) 3.0 1.2 0.3
assi (resi 71   and name hg1#) (resi 73   and name HN  ) 2.5 0.7 1.7
assi (resi 71   and name hg2#) (resi 73   and name HN  ) 5.0 2.0 2.5
assi (resi 71   and name hg1#) (resi 73   and name HA  ) 4.0 2.2 2.5

assi (resi 71   and name hg2#) (resi 74   and name HG2#) 4.0 2.2 4.0
assi (resi 71   and name hg1#) (resi 74   and name HG2#) 4.0 2.2 4.0

assi (resi 71   and name hg1#) (resi 76   and name HA  ) 4.0 2.2 2.5
assi (resi 71   and name hg2#) (resi 76   and name HB  ) 3.0 1.2 1.8
assi (resi 71   and name hg1#) (resi 76   and name HB  ) 3.0 1.2 1.8
assi (resi 71   and name HA  ) (resi 76   and name HG2#) 4.0 2.2 2.5
assi (resi 71   and name hg2#) (resi 76   and name HG2#) 3.0 1.2 3.3
assi (resi 71   and name hg1#) (resi 76   and name HG2#) 3.0 1.2 3.3

assi (resi 71   and name hg2#) (resi 78   and name HE21) 3.0 1.2 1.8
assi (resi 71   and name hg2#) (resi 78   and name HE22) 3.0 1.2 1.8
assi (resi 71   and name HA  ) (resi 78   and name HE2#) 4.0 2.2 2.0

! RESIDUE 72 LYS, NOES FORWARD
assi (resi 72   and name HN  ) (resi 72   and name HA  ) 3.0 1.2 0.3
assi (resi 72   and name HN  ) (resi 72   and name hb# ) 2.5 0.7 1.2
assi (resi 72   and name HN  ) (resi 72   and name HG# ) 4.0 2.2 2.0
assi (resi 72   and name HA  ) (resi 72   and name HB# ) 3.0 1.2 1.3
assi (resi 72   and name HA  ) (resi 72   and name HG# ) 3.0 1.2 1.3

assi (resi 72   and name HN  ) (resi 73   and name HN  ) 2.5 0.7 0.2
assi (resi 72   and name HA  ) (resi 73   and name HN  ) 4.0 2.2 1.0
assi (resi 72   and name HB2 ) (resi 73   and name HN  ) 4.0 2.2 1.0
assi (resi 72   and name hb1 ) (resi 73   and name HN  ) 4.0 2.2 1.0


! RESIDUE 73 CYS, NOES FORWARD
assi (resi 73   and name HN  ) (resi 73   and name HA  ) 4.0 2.2 1.0
assi (resi 73   and name HN  ) (resi 73   and name HB2 ) 4.0 2.2 1.0
assi (resi 73   and name HN  ) (resi 73   and name hb1 ) 4.0 2.2 1.0
assi (resi 73   and name HA  ) (resi 73   and name HB1 ) 4.0 2.2 1.0
assi (resi 73   and name HA  ) (resi 73   and name hb2 ) 3.0 1.2 0.3

assi (resi 73   and name HN  ) (resi 74   and name HN  ) 4.0 2.2 1.0
assi (resi 73   and name HA  ) (resi 74   and name HN  ) 4.0 2.2 1.0
assi (resi 73   and name HB2 ) (resi 74   and name HN  ) 4.0 2.2 1.0
assi (resi 73   and name hb1 ) (resi 74   and name HN  ) 4.0 2.2 1.0
assi (resi 73   and name HA  ) (resi 74   and name HA  ) 4.0 2.2 1.0
assi (resi 73   and name HA  ) (resi 74   and name HG2#) 3.0 1.2 1.8

assi (resi 73   and name HA  ) (resi 75   and name HD# ) 5.0 2.0 2.0

! RESIDUE 74 THR, NOES FORWARD
assi (resi 74   and name HN  ) (resi 74   and name HA  ) 3.0 1.2 0.3
assi (resi 74   and name HN  ) (resi 74   and name HB  ) 4.0 2.2 1.0
assi (resi 74   and name HN  ) (resi 74   and name HG2#) 3.0 1.2 1.8
assi (resi 74   and name HA  ) (resi 74   and name HB  ) 3.0 1.2 0.3
assi (resi 74   and name HA  ) (resi 74   and name HG2#) 3.0 1.2 1.8

assi (resi 74   and name HA  ) (resi 75   and name HA  ) 2.5 0.7 0.2
assi (resi 74   and name HN  ) (resi 75   and name HD# ) 4.0 2.2 2.0
assi (resi 74   and name HG2#) (resi 75   and name HA  ) 3.0 1.2 1.8
assi (resi 74   and name HB  ) (resi 75   and name HA  ) 2.5 0.7 0.2
assi (resi 74   and name HA  ) (resi 75   and name HD1 ) 4.0 2.2 1.0
assi (resi 74   and name HA  ) (resi 75   and name HD2 ) 4.0 2.2 1.0
assi (resi 74   and name HA  ) (resi 75   and name HB2 ) 4.0 2.2 1.0
assi (resi 74   and name HA  ) (resi 75   and name hb1 ) 4.0 2.2 1.0

! RESIDUE 75 PRO, NOES FORWARD
assi (resi 75   and name HA  ) (resi 75   and name HB2 ) 4.0 2.2 1.0
assi (resi 75   and name HA  ) (resi 75   and name hb1 ) 3.0 1.2 0.3

assi (resi 75   and name Ha  ) (resi 76   and name HN  ) 2.5 0.7 0.2
assi (resi 75   and name HB2 ) (resi 76   and name HN  ) 4.0 2.2 1.0
assi (resi 75   and name hb1 ) (resi 76   and name HN  ) 4.0 2.2 1.0
assi (resi 75   and name HG# ) (resi 76   and name HN  ) 5.0 2.0 2.0

assi (resi 75   and name HB2 ) (resi 77   and name HE2 ) 4.0 2.2 1.0
assi (resi 75   and name HG# ) (resi 77   and name HD2 ) 4.0 2.2 2.0
assi (resi 75   and name HG# ) (resi 77   and name HE2 ) 4.0 2.2 2.0
assi (resi 75   and name HG# ) (resi 77   and name HZ  ) 4.0 2.2 2.0

assi (resi 75   and name HG# ) (resi 91   and name HN  ) 4.0 2.2 2.0
assi (resi 75   and name HB2 ) (resi 91   and name HN  ) 4.0 2.2 1.0
assi (resi 75   and name HD# ) (resi 91   and name HN  ) 4.0 2.2 2.0

assi (resi 75   and name HG# ) (resi 92   and name HN  ) 4.0 2.2 2.0
assi (resi 75   and name HD1 ) (resi 92   and name HN  ) 4.0 2.2 1.0
assi (resi 75   and name HD2 ) (resi 92   and name HN  ) 4.0 2.2 1.0

! RESIDUE 76 THR, NOES FORWARD
assi (resi 76   and name HN  ) (resi 76   and name HA  ) 3.0 1.2 0.3
assi (resi 76   and name HN  ) (resi 76   and name HB  ) 4.0 2.2 1.0
assi (resi 76   and name HN  ) (resi 76   and name HG2#) 4.0 2.2 2.5
assi (resi 76   and name HA  ) (resi 76   and name HB  ) 4.0 2.2 1.0
assi (resi 76   and name HA  ) (resi 76   and name HG2#) 3.0 1.2 1.8

assi (resi 76   and name HN  ) (resi 77   and name HN  ) 4.0 2.2 1.0
assi (resi 76   and name HA  ) (resi 77   and name HN  ) 2.5 0.7 0.2
assi (resi 76   and name HA  ) (resi 77   and name HA  ) 4.0 2.2 1.0
assi (resi 76   and name HA  ) (resi 77   and name HD2 ) 4.0 2.2 1.0
assi (resi 76   and name HG2#) (resi 77   and name HN  ) 3.0 1.2 1.8
assi (resi 76   and name HG2#) (resi 77   and name HA  ) 4.0 2.2 2.5

assi (resi 76   and name HG2#) (resi 78   and name HE2#) 3.0 1.2 2.8
assi (resi 76   and name HG2#) (resi 78   and name HN  ) 4.0 2.2 2.5
assi (resi 76   and name HG2#) (resi 78   and name HA  ) 4.0 2.2 2.5
assi (resi 76   and name HG2#) (resi 78   and name HB# ) 4.0 2.2 3.5
assi (resi 76   and name HG2#) (resi 78   and name HG# ) 3.0 1.2 2.8

assi (resi 76   and name HG2#) (resi 88   and name HA  ) 4.0 2.2 2.5

assi (resi 76   and name HG2#) (resi 89   and name HN  ) 4.0 2.2 2.5

assi (resi 76   and name HA  ) (resi 90   and name HA  ) 2.5 0.7 0.2
assi (resi 76   and name HG2#) (resi 90   and name HA  ) 3.0 1.2 1.8
assi (resi 76   and name HA  ) (resi 90   and name HB2 ) 4.0 2.2 1.0
assi (resi 76   and name HA  ) (resi 90   and name HB1 ) 4.0 2.2 1.0

assi (resi 76   and name HA  ) (resi 91   and name Hn  ) 3.0 1.2 0.3

! RESIDUE 77 PHE, NOES FORWARD
assi (resi 77   and name HA  ) (resi 77   and name HN  ) 4.0 2.2 1.0
assi (resi 77   and name HN  ) (resi 77   and name HB2 ) 4.0 2.2 1.0
assi (resi 77   and name HA  ) (resi 77   and name HD1 ) 3.0 1.2 0.3
assi (resi 77   and name HA  ) (resi 77   and name HB2 ) 4.0 2.2 1.0
assi (resi 77   and name HA  ) (resi 77   and name hb1 ) 3.0 1.2 0.3
assi (resi 77   and name HB2 ) (resi 77   and name HD2 ) 3.0 1.2 0.3
assi (resi 77   and name hb1 ) (resi 77   and name HD1 ) 3.0 1.2 0.3
assi (resi 77   and name HN  ) (resi 77   and name HD2 ) 3.0 1.2 0.3

assi (resi 77   and name HA  ) (resi 78   and name HN  ) 2.5 0.7 0.2
assi (resi 77   and name hb1 ) (resi 78   and name HN  ) 4.0 2.2 1.0
assi (resi 77   and name HD1 ) (resi 78   and name HN  ) 3.0 1.2 0.3

assi (resi 77   and name hb1 ) (resi 79   and name HE2 ) 3.0 1.2 0.3
assi (resi 77   and name hb1 ) (resi 79   and name HZ  ) 4.0 2.2 1.0

assi (resi 77   and name HB2 ) (resi 88   and name HA  ) 4.0 2.2 1.0

assi (resi 77   and name HB2 ) (resi 89   and name HN  ) 4.0 2.2 1.0
assi (resi 77   and name HD2 ) (resi 89   and name HD1 ) 4.0 2.2 1.0

assi (resi 77   and name HD2 ) (resi 90   and name HA  ) 4.0 2.2 1.0
assi (resi 77   and name HN  ) (resi 90   and name HA  ) 3.0 1.2 0.3

assi (resi 77   and name HD2 ) (resi 91   and name HN  ) 4.0 2.2 1.0

assi (resi 77   and name HE2 ) (resi 92   and name HA  ) 4.0 2.2 1.0

assi (resi 77   and name HE# ) (resi 94   and name HG# ) 4.0 2.2 4.0

assi (resi 77   and name Hb1 ) (resi 97   and name HD2#) 4.0 2.2 2.5
assi (resi 77   and name Hb2 ) (resi 97   and name HD2#) 4.0 2.2 2.5
assi (resi 77   and name HD1 ) (resi 97   and name HD1#) 4.0 2.2 2.5
assi (resi 77   and name HD# ) (resi 97   and name HD2#) 3.0 1.2 3.8
assi (resi 77   and name HE# ) (resi 97   and name HD1#) 4.0 2.2 4.5
assi (resi 77   and name HE# ) (resi 97   and name HD2#) 4.0 2.2 4.5

! RESIDUE 78 GLN, NOES FORWARD
assi (resi 78   and name HA  ) (resi 78   and name HN  ) 4.0 2.2 1.0
assi (resi 78   and name HG# ) (resi 78   and name HN  ) 4.0 2.2 2.0
assi (resi 78   and name HB# ) (resi 78   and name HN  ) 3.0 1.2 1.3
assi (resi 78   and name HG# ) (resi 78   and name HE21) 3.0 1.2 1.3
assi (resi 78   and name HG# ) (resi 78   and name HE22) 3.0 1.2 1.3
assi (resi 78   and name HA  ) (resi 78   and name HB2 ) 3.0 1.2 0.3
assi (resi 78   and name HA  ) (resi 78   and name hb1 ) 3.0 1.2 0.3
assi (resi 78   and name HA  ) (resi 78   and name HG# ) 3.0 1.2 1.3

assi (resi 78   and name HA  ) (resi 79   and name HN  ) 2.5 0.7 0.2
assi (resi 78   and name HB# ) (resi 79   and name HN  ) 3.0 1.2 1.3
assi (resi 78   and name HG# ) (resi 79   and name HN  ) 4.0 2.2 2.0
assi (resi 78   and name HA  ) (resi 79   and name HE2 ) 4.0 2.2 1.0
assi (resi 78   and name HA  ) (resi 79   and name HD2 ) 2.5 0.7 0.2
assi (resi 78   and name HA  ) (resi 79   and name HA  ) 4.0 2.2 1.0

assi (resi 78   and name HA  ) (resi 80   and name HE2 ) 4.0 2.2 1.0
assi (resi 78   and name Hb# ) (resi 80   and name HE2 ) 3.0 1.2 1.3

assi (resi 78   and name HA  ) (resi 88   and name HA  ) 2.5 0.7 0.2
assi (resi 78   and name HB# ) (resi 88   and name HA  ) 4.0 2.2 2.0
assi (resi 78   and name HG# ) (resi 88   and name HA  ) 4.0 2.2 2.0

! RESIDUE 79 PHE, NOES FORWARD
assi (resi 79   and name HA  ) (resi 79   and name HD# ) 3.0 1.2 2.3
assi (resi 79   and name HA  ) (resi 79   and name HN  ) 4.0 2.2 1.0
assi (resi 79   and name HB2 ) (resi 79   and name HN  ) 3.0 1.2 0.3
assi (resi 79   and name hb1 ) (resi 79   and name HN  ) 4.0 2.2 1.0
assi (resi 79   and name HA  ) (resi 79   and name HB2 ) 4.0 2.2 1.0
assi (resi 79   and name HA  ) (resi 79   and name hb1 ) 3.0 1.2 0.3
assi (resi 79   and name HB2 ) (resi 79   and name HD# ) 3.0 1.2 2.3
assi (resi 79   and name hb1 ) (resi 79   and name HD# ) 3.0 1.2 2.3
assi (resi 79   and name HB2 ) (resi 79   and name HE2 ) 4.0 2.2 1.0
assi (resi 79   and name hb1 ) (resi 79   and name HE1 ) 4.0 2.2 1.0
assi (resi 79   and name HN  ) (resi 79   and name HE2 ) 4.0 2.2 1.0
assi (resi 79   and name HN  ) (resi 79   and name HD2 ) 2.5 0.7 0.2

assi (resi 79   and name HN  ) (resi 80   and name HN  ) 4.0 2.2 1.0
assi (resi 79   and name HA  ) (resi 80   and name HN  ) 2.5 0.7 0.2
assi (resi 79   and name HN  ) (resi 80   and name HE2 ) 4.0 2.2 1.0
assi (resi 79   and name HB2 ) (resi 80   and name HN  ) 4.0 2.2 1.0
assi (resi 79   and name hb1 ) (resi 80   and name HN  ) 4.0 2.2 1.0
assi (resi 79   and name HA  ) (resi 80   and name HD2 ) 4.0 2.2 1.0
assi (resi 79   and name HN  ) (resi 80   and name HD2 ) 4.0 2.2 1.0
assi (resi 79   and name HD1 ) (resi 80   and name HN  ) 4.0 2.2 1.0

assi (resi 79   and name HN  ) (resi 85   and name HG# ) 4.0 2.2 2.0

assi (resi 79   and name HA  ) (resi 86   and name HG2#) 4.0 2.2 2.5
assi (resi 79   and name HN  ) (resi 86   and name HG2#) 4.0 2.2 2.5
assi (resi 79   and name HB2 ) (resi 86   and name HN  ) 4.0 2.2 1.0
assi (resi 79   and name hb1 ) (resi 86   and name HN  ) 4.0 2.2 1.0

assi (resi 79   and name HN  ) (resi 87   and name HN  ) 4.0 2.2 1.0
assi (resi 79   and name HA  ) (resi 87   and name HN  ) 4.0 2.2 1.0
assi (resi 79   and name HB2 ) (resi 87   and name HN  ) 4.0 2.2 1.0
assi (resi 79   and name hb1 ) (resi 87   and name HN  ) 3.0 1.2 0.3
assi (resi 79   and name HD2 ) (resi 87   and name HN  ) 4.0 2.2 1.0
assi (resi 79   and name HD2 ) (resi 87   and name HA1 ) 4.0 2.2 1.0
assi (resi 79   and name HD2 ) (resi 87   and name HA2 ) 4.0 2.2 1.0

assi (resi 79   and name HN  ) (resi 88   and name HA  ) 3.0 1.2 0.3
assi (resi 79   and name HD2 ) (resi 88   and name HA  ) 3.0 1.2 0.3
assi (resi 79   and name HE2 ) (resi 88   and name HA  ) 4.0 2.2 1.0
assi (resi 79   and name HD2 ) (resi 88   and name HN  ) 4.0 2.2 1.0

assi (resi 79   and name HD2 ) (resi 89   and name HN  ) 4.0 2.2 1.0
assi (resi 79   and name HE2 ) (resi 89   and name HN  ) 4.0 2.2 1.0
assi (resi 79   and name HZ  ) (resi 89   and name HZ  ) 5.0 2.0 1.0
assi (resi 79   and name hz  ) (resi 89   and name he2 ) 3.0 1.2 0.3
assi (resi 79   and name he2 ) (resi 89   and name he2 ) 4.0 2.2 1.0
assi (resi 79   and name he2 ) (resi 89   and name hd2 ) 3.0 1.2 0.3
assi (resi 79   and name hz  ) (resi 89   and name hd2 ) 4.0 2.2 1.0

assi (resi 79   and name HE2 ) (resi 97   and name HA  ) 4.0 2.2 1.0
assi (resi 79   and name HZ  ) (resi 97   and name HA  ) 3.0 1.2 0.3
assi (resi 79   and name HE2 ) (resi 97   and name HD2#) 3.0 1.2 1.8
assi (resi 79   and name HZ  ) (resi 97   and name HD2#) 3.0 1.2 1.8

assi (resi 79   and name HE# ) (resi 100  and name HG2#) 3.0 1.2 3.8
assi (resi 79   and name HZ  ) (resi 100  and name HG2#) 3.0 1.2 1.8
assi (resi 79   and name HD# ) (resi 100  and name HG2#) 4.0 2.2 4.5
assi (resi 79   and name HE# ) (resi 100  and name HB  ) 3.0 1.2 2.3
assi (resi 79   and name HZ  ) (resi 100  and name HB  ) 3.0 1.2 2.3

assi (resi 79   and name HE1 ) (resi 101  and name HG2#) 4.0 2.2 2.5
assi (resi 79   and name HD1 ) (resi 101  and name HA  ) 4.0 2.2 1.0
assi (resi 79   and name HE1 ) (resi 101  and name HA  ) 3.0 1.2 0.3

assi (resi 79   and name HE1 ) (resi 103  and name hb# ) 4.0 2.2 2.0
assi (resi 79   and name HZ  ) (resi 103  and name hb# ) 4.0 2.2 2.0

assi (resi 79   and name HA  ) (resi 104  and name HD1#) 4.0 2.2 2.5
assi (resi 79   and name HE1 ) (resi 104  and name HD1#) 4.0 2.2 2.5
assi (resi 79   and name HB2 ) (resi 104  and name HD1#) 3.0 1.2 1.8
assi (resi 79   and name hb1 ) (resi 104  and name HD1#) 3.0 1.2 1.8
assi (resi 79   and name HD1 ) (resi 104  and name HG  ) 3.0 1.2 0.3
assi (resi 79   and name HD# ) (resi 104  and name HA  ) 5.0 2.0 3.0
assi (resi 79   and name HD1 ) (resi 104  and name HD1#) 3.0 1.2 1.8

! RESIDUE 80 PHE, NOES FORWARD
assi (resi 80   and name HA  ) (resi 80   and name HE1 ) 4.0 2.2 1.0
assi (resi 80   and name HA  ) (resi 80   and name HD# ) 2.5 0.7 2.2
assi (resi 80   and name HA  ) (resi 80   and name HN  ) 3.0 1.2 0.3
assi (resi 80   and name HB2 ) (resi 80   and name HN  ) 3.0 1.2 0.3
assi (resi 80   and name hb1 ) (resi 80   and name HN  ) 4.0 2.2 1.0
assi (resi 80   and name HA  ) (resi 80   and name HB1 ) 3.0 1.2 0.3
assi (resi 80   and name HA  ) (resi 80   and name hb2 ) 4.0 2.2 1.0
assi (resi 80   and name HB2 ) (resi 80   and name HE2 ) 4.0 2.2 1.0
assi (resi 80   and name hb1 ) (resi 80   and name HE1 ) 4.0 2.2 1.0
assi (resi 80   and name HB2 ) (resi 80   and name HD2 ) 2.5 0.7 0.2
assi (resi 80   and name hb1 ) (resi 80   and name HD1 ) 2.5 0.7 0.2
assi (resi 80   and name HN  ) (resi 80   and name HE# ) 4.0 2.2 3.0
assi (resi 80   and name HN  ) (resi 80   and name HD2 ) 3.0 1.2 0.3

assi (resi 80   and name HN  ) (resi 81   and name HN  ) 4.0 2.2 1.0
assi (resi 80   and name HA  ) (resi 81   and name HA  ) 4.0 2.2 1.0
assi (resi 80   and name HA  ) (resi 81   and name HN  ) 2.5 0.7 0.2
assi (resi 80   and name HB2 ) (resi 81   and name HN  ) 4.0 2.2 1.0
assi (resi 80   and name hb1 ) (resi 81   and name HN  ) 4.0 2.2 1.0

assi (resi 80   and name HB1 ) (resi 83   and name HN  ) 4.0 2.2 1.0
assi (resi 80   and name HD1 ) (resi 83   and name HN  ) 5.0 2.0 1.0

assi (resi 80   and name HA  ) (resi 84   and name HA  ) 4.0 2.2 1.0
assi (resi 80   and name HD1 ) (resi 84   and name HA  ) 4.0 2.2 1.0
assi (resi 80   and name HE1 ) (resi 84   and name HA  ) 5.0 2.0 1.0
assi (resi 80   and name HA  ) (resi 84   and name HN  ) 4.0 2.2 1.0

assi (resi 80   and name HA  ) (resi 85   and name HN  ) 4.0 2.2 1.0
assi (resi 80   and name HD1 ) (resi 85   and name HA  ) 3.0 1.2 0.3
assi (resi 80   and name HD# ) (resi 85   and name HD# ) 4.0 2.2 4.0
assi (resi 80   and name HE1 ) (resi 85   and name HD# ) 2.5 0.7 1.2
assi (resi 80   and name HE1 ) (resi 85   and name HG# ) 4.0 2.2 2.0
assi (resi 80   and name HA  ) (resi 85   and name HA  ) 2.5 0.7 0.2
assi (resi 80   and name HE1 ) (resi 85   and name HA  ) 4.0 2.2 1.0
assi (resi 80   and name HE1 ) (resi 85   and name HB2 ) 4.0 2.2 1.0

assi (resi 80   and name HA  ) (resi 86   and name HN  ) 3.0 1.2 0.3
assi (resi 80   and name HA  ) (resi 86   and name HG1#) 4.0 2.2 2.5
assi (resi 80   and name HA  ) (resi 86   and name HG2#) 3.0 1.2 1.8
assi (resi 80   and name HN  ) (resi 86   and name HG2#) 4.0 2.2 2.5

assi (resi 80   and name HA  ) (resi 87   and name HN  ) 5.0 2.0 1.0

! RESIDUE 81 LYS, NOES FORWARD
assi (resi 81   and name HN  ) (resi 81   and name HA  ) 3.0 1.2 0.3
assi (resi 81   and name HN  ) (resi 81   and name HB2 ) 4.0 2.2 1.0
assi (resi 81   and name HN  ) (resi 81   and name hb1 ) 4.0 2.2 1.0
assi (resi 81   and name HN  ) (resi 81   and name HG# ) 4.0 2.2 2.0
assi (resi 81   and name HA  ) (resi 81   and name HB2 ) 3.0 1.2 0.3
assi (resi 81   and name HA  ) (resi 81   and name hb1 ) 3.0 1.2 0.3
assi (resi 81   and name HA  ) (resi 81   and name HG# ) 3.0 1.2 1.3
assi (resi 81   and name HA  ) (resi 81   and name HE# ) 4.0 2.2 2.0

assi (resi 81   and name HN  ) (resi 82   and name HN  ) 4.0 2.2 1.0
assi (resi 81   and name HA  ) (resi 82   and name HN  ) 3.0 1.2 0.3
assi (resi 81   and name HB# ) (resi 82   and name HN  ) 4.0 2.2 2.0

assi (resi 81   and name HN  ) (resi 83   and name HN  ) 4.0 2.2 1.0
assi (resi 81   and name HA  ) (resi 83   and name HN  ) 3.0 1.2 0.3


assi (resi 81   and name HN  ) (resi 85   and name HA  ) 4.0 2.2 1.0

assi (resi 81   and name HN  ) (resi 86   and name HG1#) 3.0 1.2 1.8
assi (resi 81   and name HN  ) (resi 86   and name HG2#) 3.0 1.2 1.8
assi (resi 81   and name Hb1 ) (resi 86   and name HG1#) 4.0 2.2 2.5
assi (resi 81   and name Hb1 ) (resi 86   and name HG2#) 4.0 2.2 2.5
assi (resi 81   and name Hb2 ) (resi 86   and name HG1#) 4.0 2.2 2.5
assi (resi 81   and name Hb2 ) (resi 86   and name HG2#) 4.0 2.2 2.5
assi (resi 81   and name HN  ) (resi 86   and name HN  ) 4.0 2.2 1.0

! RESIDUE 82 LYS, NOES FORWARD
assi (resi 82   and name HN  ) (resi 82   and name HA  ) 2.5 0.7 0.2
assi (resi 82   and name HN  ) (resi 82   and name HB2 ) 4.0 2.2 1.0
assi (resi 82   and name HN  ) (resi 82   and name hb1 ) 4.0 2.2 1.0
assi (resi 82   and name HN  ) (resi 82   and name HG# ) 4.0 2.2 2.0
assi (resi 82   and name HA  ) (resi 82   and name HB# ) 2.5 0.7 1.2
assi (resi 82   and name HA  ) (resi 82   and name HG1 ) 3.0 1.2 0.3
assi (resi 82   and name HA  ) (resi 82   and name HG2 ) 3.0 1.2 0.3
assi (resi 82   and name HA  ) (resi 82   and name HD# ) 3.0 1.2 1.3
assi (resi 82   and name HA  ) (resi 82   and name HE# ) 4.0 2.2 2.0
assi (resi 82   and name HB# ) (resi 82   and name HD# ) 4.0 2.2 3.0
assi (resi 82   and name HB2 ) (resi 82   and name HE# ) 4.0 2.2 2.0
assi (resi 82   and name hb1 ) (resi 82   and name HE# ) 4.0 2.2 2.0

assi (resi 82   and name HN  ) (resi 83   and name HN  ) 3.0 1.2 0.3
assi (resi 82   and name HA  ) (resi 83   and name HN  ) 3.0 1.2 0.3
assi (resi 82   and name HB2 ) (resi 83   and name HN  ) 4.0 2.2 1.0
assi (resi 82   and name hb1 ) (resi 83   and name HN  ) 4.0 2.2 1.0
assi (resi 82   and name HG# ) (resi 83   and name HN  ) 5.0 2.0 2.0

assi (resi 82   and name HA  ) (resi 84   and name HN  ) 4.0 2.2 1.0

! RESIDUE 83 GLY, NOES FORWARD
assi (resi 83   and name HN  ) (resi 83   and name HA1 ) 3.0 1.2 0.3
assi (resi 83   and name HN  ) (resi 83   and name HA2 ) 2.5 0.7 0.2

assi (resi 83   and name HN  ) (resi 84   and name HN  ) 4.0 2.2 1.0
assi (resi 83   and name HA1 ) (resi 84   and name HN  ) 4.0 2.2 1.0
assi (resi 83   and name HA2 ) (resi 84   and name HN  ) 4.0 2.2 1.0

! RESIDUE 84 GLN, NOES FORWARD
assi (resi 84   and name HA  ) (resi 84   and name HN  ) 4.0 2.2 1.0
assi (resi 84   and name HN  ) (resi 84   and name hb# ) 3.0 1.2 1.3
assi (resi 84   and name HN  ) (resi 84   and name HG# ) 3.0 1.2 1.3
assi (resi 84   and name HA  ) (resi 84   and name hb# ) 2.5 0.7 1.2
assi (resi 84   and name HA  ) (resi 84   and name HG# ) 4.0 2.2 2.0
assi (resi 84   and name HG# ) (resi 84   and name HE2#) 4.0 2.2 3.0

assi (resi 84   and name HN  ) (resi 85   and name HN  ) 4.0 2.2 1.0
assi (resi 84   and name HA  ) (resi 85   and name HN  ) 3.0 1.2 0.3
assi (resi 84   and name HB2 ) (resi 85   and name HN  ) 4.0 2.2 1.0
assi (resi 84   and name hb1 ) (resi 85   and name HN  ) 4.0 2.2 1.0
assi (resi 84   and name HG# ) (resi 85   and name HN  ) 4.0 2.2 2.0
assi (resi 84   and name HA  ) (resi 85   and name HA  ) 4.0 2.2 1.0

! RESIDUE 85 LYS, NOES FORWARD
assi (resi 85   and name HN  ) (resi 85   and name HA  ) 3.0 1.2 0.3
assi (resi 85   and name HN  ) (resi 85   and name HB# ) 2.5 0.7 1.2
assi (resi 85   and name HN  ) (resi 85   and name HG# ) 3.0 1.2 1.3
assi (resi 85   and name HN  ) (resi 85   and name HD# ) 4.0 2.2 2.0
assi (resi 85   and name HN  ) (resi 85   and name HE# ) 4.0 2.2 2.0
assi (resi 85   and name HA  ) (resi 85   and name HB2 ) 3.0 1.2 0.3
assi (resi 85   and name HA  ) (resi 85   and name HG1 ) 3.0 1.2 0.3
assi (resi 85   and name HA  ) (resi 85   and name HG2 ) 3.0 1.2 0.3
assi (resi 85   and name HB# ) (resi 85   and name HE# ) 4.0 2.2 3.0

assi (resi 85   and name HN  ) (resi 86   and name HN  ) 4.0 2.2 1.0
assi (resi 85   and name HA  ) (resi 86   and name HN  ) 2.5 0.7 0.2
assi (resi 85   and name HB# ) (resi 86   and name HN  ) 4.0 2.2 2.0
assi (resi 85   and name HG1 ) (resi 86   and name HN  ) 4.0 2.2 1.0
assi (resi 85   and name HG2 ) (resi 86   and name HN  ) 4.0 2.2 1.0
assi (resi 85   and name HD# ) (resi 86   and name HN  ) 4.0 2.2 2.0

assi (resi 85   and name HA  ) (resi 87   and name HN  ) 4.0 2.2 1.0
assi (resi 85   and name HB# ) (resi 87   and name HN  ) 4.0 2.2 2.0
assi (resi 85   and name HG1 ) (resi 87   and name HN  ) 3.0 1.2 0.3
assi (resi 85   and name HG2 ) (resi 87   and name HN  ) 3.0 1.2 0.3
assi (resi 85   and name HD# ) (resi 87   and name HN  ) 4.0 2.2 2.0

! RESIDUE 86 VAL, NOES FORWARD
assi (resi 86   and name HA  ) (resi 86   and name HN  ) 4.0 2.2 1.0
assi (resi 86   and name HN  ) (resi 86   and name HB  ) 4.0 2.2 1.0
assi (resi 86   and name HN  ) (resi 86   and name HG1#) 4.0 2.2 2.5
assi (resi 86   and name HN  ) (resi 86   and name HG2#) 2.5 0.7 1.7
assi (resi 86   and name HA  ) (resi 86   and name HB  ) 2.5 0.7 0.2
assi (resi 86   and name HA  ) (resi 86   and name HG1#) 2.5 0.7 1.7
assi (resi 86   and name HA  ) (resi 86   and name HG2#) 3.0 1.2 1.8

assi (resi 86   and name HN  ) (resi 87   and name HN  ) 3.0 1.2 0.3
assi (resi 86   and name HA  ) (resi 87   and name HN  ) 4.0 2.2 1.0
assi (resi 86   and name HB  ) (resi 87   and name HN  ) 4.0 2.2 1.0
assi (resi 86   and name HG1#) (resi 87   and name HN  ) 4.0 2.2 2.5
assi (resi 86   and name HG2#) (resi 87   and name HN  ) 3.0 1.2 1.8

assi (resi 86   and name HB  ) (resi 104  and name HD1#) 3.0 1.2 1.8
assi (resi 86   and name HB  ) (resi 104  and name HD2#) 4.0 2.2 2.5
assi (resi 86   and name HG1#) (resi 104  and name HD1#) 4.0 2.2 4.0
assi (resi 86   and name HG2#) (resi 104  and name HD1#) 3.0 1.2 3.3

! RESIDUE 87 GLY, NOES FORWARD
assi (resi 87   and name HN  ) (resi 87   and name HA1 ) 4.0 2.2 1.0
assi (resi 87   and name HN  ) (resi 87   and name HA2 ) 4.0 2.2 1.0

assi (resi 87   and name HN  ) (resi 88   and name HN  ) 4.0 2.2 1.0
assi (resi 87   and name HA1 ) (resi 88   and name HN  ) 3.0 1.2 0.3
assi (resi 87   and name HA2 ) (resi 88   and name HN  ) 2.5 0.7 0.2

assi (resi 87   and name HA1 ) (resi 104  and name HD1#) 4.0 2.2 2.5
assi (resi 87   and name HA2 ) (resi 104  and name HD1#) 4.0 2.2 2.5

! RESIDUE 88 GLU, NOES FORWARD
assi (resi 88   and name HN  ) (resi 88   and name HA  ) 3.0 1.2 0.3
assi (resi 88   and name HN  ) (resi 88   and name HB2 ) 4.0 2.2 1.0
assi (resi 88   and name HN  ) (resi 88   and name hb1 ) 4.0 2.2 1.0
assi (resi 88   and name HN  ) (resi 88   and name HG# ) 4.0 2.2 2.0
assi (resi 88   and name HA  ) (resi 88   and name HB2 ) 3.0 1.2 0.3
assi (resi 88   and name HA  ) (resi 88   and name hb1 ) 3.0 1.2 0.3
assi (resi 88   and name HA  ) (resi 88   and name HG# ) 3.0 1.2 1.3

assi (resi 88   and name HN  ) (resi 89   and name HN  ) 4.0 2.2 1.0
assi (resi 88   and name HA  ) (resi 89   and name HN  ) 3.0 1.2 0.3
assi (resi 88   and name HB2 ) (resi 89   and name HN  ) 4.0 2.2 1.0
assi (resi 88   and name hb1 ) (resi 89   and name HN  ) 4.0 2.2 1.0
assi (resi 88   and name HG# ) (resi 89   and name HN  ) 4.0 2.2 2.0
assi (resi 88   and name HA  ) (resi 89   and name HD2 ) 4.0 2.2 1.0
assi (resi 88   and name HN  ) (resi 89   and name HD2 ) 5.0 2.0 1.0

! RESIDUE 89 PHE, NOES FORWARD
assi (resi 89   and name HN  ) (resi 89   and name HA  ) 3.0 1.2 0.3
assi (resi 89   and name HN  ) (resi 89   and name HB2 ) 4.0 2.2 1.0
assi (resi 89   and name HN  ) (resi 89   and name hb1 ) 2.5 0.7 0.2
assi (resi 89   and name HA  ) (resi 89   and name HB2 ) 2.5 0.7 0.2
assi (resi 89   and name HA  ) (resi 89   and name hb1 ) 2.5 0.7 0.2
assi (resi 89   and name HA  ) (resi 89   and name hd# ) 3.0 1.2 2.3
assi (resi 89   and name hb# ) (resi 89   and name HD# ) 2.5 0.7 3.2
assi (resi 89   and name hb# ) (resi 89   and name He# ) 4.0 2.2 4.0
assi (resi 89   and name HN  ) (resi 89   and name HD# ) 3.0 1.2 2.3
assi (resi 89   and name HN  ) (resi 89   and name HE2 ) 4.0 2.2 1.0

assi (resi 89   and name HA  ) (resi 90   and name HN  ) 3.0 1.2 0.3
assi (resi 89   and name HB2 ) (resi 90   and name HN  ) 4.0 2.2 1.0
assi (resi 89   and name hb1 ) (resi 90   and name HN  ) 4.0 2.2 1.0
assi (resi 89   and name HD1 ) (resi 90   and name HA  ) 4.0 2.2 1.0
assi (resi 89   and name HA  ) (resi 90   and name HA  ) 4.0 2.2 1.0
assi (resi 89   and name HD1 ) (resi 90   and name HN  ) 3.0 1.2 0.3

assi (resi 89   and name HE# ) (resi 93   and name HD2#) 5.0 2.0 4.0
assi (resi 89   and name HE1 ) (resi 93   and name HB2 ) 4.0 2.2 1.0
assi (resi 89   and name HE1 ) (resi 93   and name hb1 ) 4.0 2.2 1.0

assi (resi 89   and name HD# ) (resi 97   and name HA  ) 5.0 2.2 3.0
assi (resi 89   and name HE2 ) (resi 97   and name HA  ) 3.0 1.2 0.3
assi (resi 89   and name HZ  ) (resi 97   and name HA  ) 3.0 1.2 0.3
assi (resi 89   and name HE# ) (resi 97   and name HN  ) 4.0 2.2 3.0
assi (resi 89   and name HZ  ) (resi 97   and name HB# ) 4.0 2.2 2.0
assi (resi 89   and name HZ  ) (resi 97   and name HG  ) 3.0 1.2 0.3
assi (resi 89   and name HZ  ) (resi 97   and name HD1#) 4.0 2.2 2.5
assi (resi 89   and name HZ  ) (resi 97   and name HD2#) 3.0 1.2 1.8
assi (resi 89   and name HZ  ) (resi 97   and name HN  ) 3.0 1.2 0.3

assi (resi 89   and name HD2 ) (resi 100  and name HB  ) 4.0 2.2 1.0
assi (resi 89   and name HE2 ) (resi 100  and name HB  ) 3.0 1.2 0.3
assi (resi 89   and name HZ  ) (resi 100  and name HB  ) 5.0 2.0 1.0
assi (resi 89   and name Hd2 ) (resi 100  and name Hg2#) 4.0 2.2 2.5
assi (resi 89   and name HE2 ) (resi 100  and name Hg2#) 5.0 2.0 2.5

! RESIDUE 90 SER, NOES FORWARD
assi (resi 90   and name HN  ) (resi 90   and name HA  ) 4.0 2.2 1.0
assi (resi 90   and name HN  ) (resi 90   and name HB2 ) 4.0 2.2 1.0
assi (resi 90   and name HN  ) (resi 90   and name hb1 ) 3.0 1.2 0.3
assi (resi 90   and name HA  ) (resi 90   and name HB2 ) 3.0 1.2 0.3
assi (resi 90   and name HA  ) (resi 90   and name hb1 ) 3.0 1.2 0.3

assi (resi 90   and name HN  ) (resi 91   and name HN  ) 4.0 2.2 1.0
assi (resi 90   and name HA  ) (resi 91   and name HN  ) 2.5 0.7 0.2
assi (resi 90   and name HB2 ) (resi 91   and name HN  ) 4.0 2.2 1.0
assi (resi 90   and name hb1 ) (resi 91   and name HN  ) 4.0 2.2 1.0

! RESIDUE 91 GLY, NOES FORWARD 
assi (resi 91   and name HN  ) (resi 91   and name HA1 ) 4.0 2.2 1.0
assi (resi 91   and name HN  ) (resi 91   and name HA2 ) 4.0 2.2 1.0

assi (resi 91   and name HN  ) (resi 92   and name HN  ) 4.0 2.2 1.0
assi (resi 91   and name HA1 ) (resi 92   and name HN  ) 4.0 2.2 1.0
assi (resi 91   and name HA2 ) (resi 92   and name HN  ) 4.0 2.2 1.0

! RESIDUE 92 ALA, NOES FORWARD
assi (resi 92   and name HN  ) (resi 92   and name HA  ) 3.0 1.2 0.3
assi (resi 92   and name HN  ) (resi 92   and name HB# ) 2.5 0.7 1.7
assi (resi 92   and name HA  ) (resi 92   and name HB# ) 3.0 1.2 1.8

assi (resi 92   and name HN  ) (resi 93   and name HN  ) 4.0 2.2 1.0
assi (resi 92   and name HA  ) (resi 93   and name HN  ) 3.0 1.2 0.3
assi (resi 92   and name HB# ) (resi 93   and name HN  ) 3.0 1.2 1.8

! RESIDUE 93 ASN, NOES FORWARD
assi (resi 93   and name HN  ) (resi 93   and name HA  ) 4.0 2.2 1.0
assi (resi 93   and name HN  ) (resi 93   and name hb1 ) 3.0 1.2 0.3
assi (resi 93   and name HA  ) (resi 93   and name HB2 ) 3.0 1.2 0.3
assi (resi 93   and name HA  ) (resi 93   and name HD2#) 4.0 2.2 2.0
assi (resi 93   and name HB2 ) (resi 93   and name HD2#) 3.0 1.2 1.3
assi (resi 93   and name hb1 ) (resi 93   and name HD2#) 4.0 2.2 2.0

assi (resi 93   and name HN  ) (resi 94   and name HN  ) 4.0 2.2 1.0
assi (resi 93   and name HA  ) (resi 94   and name HN  ) 4.0 2.2 1.0
assi (resi 93   and name HB2 ) (resi 94   and name HN  ) 4.0 2.2 1.0
assi (resi 93   and name hb1 ) (resi 94   and name HN  ) 4.0 2.2 1.0
assi (resi 93   and name HD2#) (resi 94   and name HG1 ) 4.0 2.2 2.0
assi (resi 93   and name HD2#) (resi 94   and name HG2 ) 4.0 2.2 2.0

assi (resi 93   and name HA  ) (resi 95   and name HN  ) 4.0 2.2 1.0

assi (resi 93   and name HA  ) (resi 96   and name hb1 ) 4.0 2.2 1.0
assi (resi 93   and name HD21) (resi 96   and name HN  ) 4.0 2.2 1.0
assi (resi 93   and name HD22) (resi 96   and name HN  ) 4.0 2.2 1.0

! RESIDUE 94 LYS, NOES FORWARD
assi (resi 94   and name HN  ) (resi 94   and name HA  ) 3.0 1.2 0.3
assi (resi 94   and name HN  ) (resi 94   and name HB# ) 3.0 1.2 1.3
assi (resi 94   and name HN  ) (resi 94   and name HG# ) 3.0 1.2 1.3
assi (resi 94   and name HN  ) (resi 94   and name HD# ) 3.0 1.2 1.3
assi (resi 94   and name HA  ) (resi 94   and name HB2 ) 4.0 2.2 1.0
assi (resi 94   and name HA  ) (resi 94   and name hb1 ) 4.0 2.2 1.0
assi (resi 94   and name HA  ) (resi 94   and name HG# ) 4.0 2.2 2.0
assi (resi 94   and name HA  ) (resi 94   and name HD1 ) 4.0 2.2 1.0
assi (resi 94   and name HA  ) (resi 94   and name HD2 ) 4.0 2.2 1.0

assi (resi 94   and name HN  ) (resi 95   and name HN  ) 3.0 1.2 0.3
assi (resi 94   and name HA  ) (resi 95   and name HN  ) 4.0 2.2 1.0
assi (resi 94   and name HB# ) (resi 95   and name HN  ) 3.0 1.2 1.3
assi (resi 94   and name HG# ) (resi 95   and name HN  ) 4.0 2.2 2.0
assi (resi 94   and name HD# ) (resi 95   and name HN  ) 4.0 2.2 2.0

assi (resi 94   and name HN  ) (resi 96   and name HN  ) 4.0 2.2 1.0

assi (resi 94   and name HN  ) (resi 97   and name HN  ) 4.0 2.2 1.0
assi (resi 94   and name HA  ) (resi 97   and name HN  ) 4.0 2.2 1.0
assi (resi 94   and name HA  ) (resi 97   and name HB2 ) 4.0 2.2 1.0
assi (resi 94   and name HA  ) (resi 97   and name HG  ) 3.0 1.2 0.3
assi (resi 94   and name HA  ) (resi 97   and name HD1#) 4.0 2.2 2.5
assi (resi 94   and name Hb# ) (resi 97   and name HD1#) 3.0 1.2 2.8
assi (resi 94   and name Hg# ) (resi 97   and name HD1#) 4.0 2.2 3.5

! RESIDUE 95 GLU, NOES FORWARD
assi (resi 95   and name HN  ) (resi 95   and name HA  ) 2.5 0.7 0.2
assi (resi 95   and name HN  ) (resi 95   and name HB# ) 2.5 0.7 1.2
assi (resi 95   and name HN  ) (resi 95   and name HG1 ) 4.0 2.2 1.0
assi (resi 95   and name HN  ) (resi 95   and name HG2 ) 4.0 2.2 1.0
assi (resi 95   and name HA  ) (resi 95   and name HB2 ) 3.0 1.2 0.3
assi (resi 95   and name HA  ) (resi 95   and name hb1 ) 3.0 1.2 0.3
assi (resi 95   and name HA  ) (resi 95   and name HG# ) 3.0 1.2 1.3

assi (resi 95   and name HN  ) (resi 96   and name HN  ) 2.5 0.7 0.2
assi (resi 95   and name HA  ) (resi 96   and name HN  ) 4.0 2.2 1.0
assi (resi 95   and name HB2 ) (resi 96   and name HN  ) 4.0 2.2 1.0
assi (resi 95   and name hb1 ) (resi 96   and name HN  ) 4.0 2.2 1.0
assi (resi 95   and name HG# ) (resi 96   and name HN  ) 4.0 2.2 2.0

assi (resi 95   and name HN  ) (resi 97   and name HN  ) 4.0 2.2 1.0


! RESIDUE 96 LYS, NOES FORWARD
assi (resi 96   and name HN  ) (resi 96   and name HA  ) 3.0 1.2 0.3
assi (resi 96   and name HN  ) (resi 96   and name HB2 ) 2.5 0.7 0.2
assi (resi 96   and name HN  ) (resi 96   and name hb1 ) 2.5 0.7 0.2
assi (resi 96   and name HN  ) (resi 96   and name HG1 ) 4.0 2.2 1.0
assi (resi 96   and name HN  ) (resi 96   and name HG2 ) 4.0 2.2 1.0
assi (resi 96   and name HN  ) (resi 96   and name HE# ) 4.0 2.2 2.0
assi (resi 96   and name HA  ) (resi 96   and name HB1 ) 4.0 2.2 1.0
assi (resi 96   and name HA  ) (resi 96   and name hb2 ) 3.0 1.2 0.3
assi (resi 96   and name HA  ) (resi 96   and name HG# ) 3.0 1.2 1.3
assi (resi 96   and name HB2 ) (resi 96   and name HD# ) 3.0 1.2 1.3
assi (resi 96   and name HB2 ) (resi 96   and name HE# ) 4.0 2.2 2.0
assi (resi 96   and name hb1 ) (resi 96   and name HE# ) 4.0 2.2 2.0
assi (resi 96   and name HG1 ) (resi 96   and name HE1 ) 4.0 2.2 1.0
assi (resi 96   and name HG2 ) (resi 96   and name HE1 ) 4.0 2.2 1.0
assi (resi 96   and name HG1 ) (resi 96   and name HE2 ) 4.0 2.2 1.0
assi (resi 96   and name HG2 ) (resi 96   and name HE2 ) 4.0 2.2 1.0

assi (resi 96   and name HN  ) (resi 97   and name HN  ) 3.0 1.2 0.3
assi (resi 96   and name HA  ) (resi 97   and name HN  ) 4.0 2.2 1.0
assi (resi 96   and name HB2 ) (resi 97   and name HN  ) 4.0 2.2 1.0
assi (resi 96   and name hb1 ) (resi 97   and name HN  ) 4.0 2.2 1.0

assi (resi 96   and name HA  ) (resi 99   and name HN  ) 4.0 2.2 1.0
assi (resi 96   and name HA  ) (resi 99   and name HB# ) 3.0 1.2 1.8

assi (resi 96   and name HA  ) (resi 100  and name HN  ) 4.0 2.2 1.0

! RESIDUE 97 LEU, NOES FORWARD
assi (resi 97   and name HN  ) (resi 97   and name HA  ) 4.0 2.2 1.0
assi (resi 97   and name HN  ) (resi 97   and name HB2 ) 3.0 1.2 0.3
assi (resi 97   and name HN  ) (resi 97   and name HG  ) 2.5 0.7 0.2
assi (resi 97   and name HN  ) (resi 97   and name HD1#) 4.0 2.2 2.5
assi (resi 97   and name HN  ) (resi 97   and name HD2#) 4.0 2.2 2.5
assi (resi 97   and name HA  ) (resi 97   and name HB1 ) 4.0 2.2 1.0
assi (resi 97   and name HA  ) (resi 97   and name HG  ) 3.0 1.2 0.3
assi (resi 97   and name HA  ) (resi 97   and name HD1#) 4.0 2.2 2.5
assi (resi 97   and name HA  ) (resi 97   and name HD2#) 3.0 1.2 1.8
assi (resi 97   and name HB2 ) (resi 97   and name HD1#) 3.0 1.2 1.8
assi (resi 97   and name HB1 ) (resi 97   and name HD2#) 4.0 2.2 2.5

assi (resi 97   and name HN  ) (resi 98   and name HN  ) 4.0 2.2 1.0
assi (resi 97   and name HA  ) (resi 98   and name HN  ) 4.0 2.2 1.0
assi (resi 97   and name HB2 ) (resi 98   and name HN  ) 3.0 1.2 0.3
assi (resi 97   and name HG  ) (resi 98   and name HN  ) 4.0 2.2 1.0
assi (resi 97   and name HD1#) (resi 98   and name HN  ) 4.0 2.2 2.5
assi (resi 97   and name HD2#) (resi 98   and name HN  ) 4.0 2.2 2.5

assi (resi 97   and name HN  ) (resi 99   and name HN  ) 4.0 2.2 1.0

assi (resi 97   and name HA  ) (resi 100  and name HB  ) 3.0 1.2 0.3

! RESIDUE 98 GLU, NOES FORWARD
assi (resi 98   and name HN  ) (resi 98   and name HA  ) 4.0 2.2 1.0
assi (resi 98   and name HN  ) (resi 98   and name HB2 ) 3.0 1.2 0.3
assi (resi 98   and name HN  ) (resi 98   and name HG# ) 4.0 2.2 2.0
assi (resi 98   and name HA  ) (resi 98   and name HB2 ) 4.0 2.2 1.0
assi (resi 98   and name HA  ) (resi 98   and name hb1 ) 4.0 2.2 1.0
assi (resi 98   and name HA  ) (resi 98   and name HG# ) 3.0 1.2 1.3

assi (resi 98   and name HN  ) (resi 99   and name HN  ) 3.0 1.2 0.3
assi (resi 98   and name HA  ) (resi 99   and name HN  ) 3.0 1.2 0.3
assi (resi 98   and name HB# ) (resi 99   and name HN  ) 3.0 1.2 1.3
assi (resi 98   and name HN  ) (resi 99   and name HB# ) 4.0 2.2 2.5

assi (resi 98   and name HA  ) (resi 100  and name HN  ) 4.0 2.2 1.0

assi (resi 98   and name HA  ) (resi 101  and name HN  ) 4.0 2.2 1.0
assi (resi 98   and name HA  ) (resi 101  and name HB  ) 3.0 1.2 0.3
assi (resi 98   and name HA  ) (resi 101  and name HG2#) 4.0 2.2 2.5
assi (resi 98   and name HA  ) (resi 101  and name HG1#) 4.0 2.2 2.0

assi (resi 98   and name HA  ) (resi 102  and name HN  ) 4.0 2.2 1.0

! RESIDUE 99 ALA, NOES FORWARD
assi (resi 99   and name HN  ) (resi 99   and name HA  ) 3.0 1.2 0.3
assi (resi 99   and name HN  ) (resi 99   and name HB# ) 2.5 0.7 1.7
assi (resi 99   and name HA  ) (resi 99   and name HB# ) 3.0 1.2 1.8

assi (resi 99   and name HN  ) (resi 100  and name HN  ) 4.0 2.2 1.0
assi (resi 99   and name HA  ) (resi 100  and name HN  ) 4.0 2.2 1.0
assi (resi 99   and name HB# ) (resi 100  and name HN  ) 4.0 2.2 2.5
assi (resi 99   and name HB# ) (resi 100  and name HA  ) 4.0 2.2 2.5

assi (resi 99   and name HA  ) (resi 102  and name HN  ) 3.0 1.2 0.3
assi (resi 99   and name HA  ) (resi 102  and name HB1 ) 4.0 2.2 1.0
assi (resi 99   and name HA  ) (resi 102  and name HB2 ) 4.0 2.2 1.0
assi (resi 99   and name HA  ) (resi 102  and name HD2#) 3.0 1.2 1.3
assi (resi 99   and name HB# ) (resi 102  and name HD2#) 5.0 2.0 3.5

! RESIDUE 100 THR, NOES FORWARD
assi (resi 100  and name HN  ) (resi 100  and name HA  ) 4.0 2.2 1.0
assi (resi 100  and name HN  ) (resi 100  and name HB  ) 4.0 2.2 1.0
assi (resi 100  and name HN  ) (resi 100  and name HG2#) 3.0 1.2 1.8
assi (resi 100  and name HA  ) (resi 100  and name HB  ) 3.0 1.2 0.3
assi (resi 100  and name HA  ) (resi 100  and name HG2#) 3.0 1.2 1.8

assi (resi 100  and name HN  ) (resi 101  and name HN  ) 4.0 2.2 1.0
assi (resi 100  and name HA  ) (resi 101  and name HN  ) 4.0 2.2 1.0
assi (resi 100  and name HB  ) (resi 101  and name HN  ) 4.0 2.2 1.0
assi (resi 100  and name HG2#) (resi 101  and name HN  ) 4.0 2.2 2.5
assi (resi 100  and name HN  ) (resi 101  and name HB  ) 4.0 2.2 1.0
assi (resi 100  and name HB  ) (resi 101  and name HA  ) 4.0 2.2 1.0
assi (resi 100  and name HG2#) (resi 101  and name HA  ) 4.0 2.2 2.5

assi (resi 100  and name HN  ) (resi 102  and name HN  ) 4.0 2.2 1.0
assi (resi 100  and name HA  ) (resi 102  and name HN  ) 4.0 2.2 1.0
assi (resi 100  and name HG2#) (resi 102  and name HN  ) 4.0 2.2 2.5

assi (resi 100  and name HA  ) (resi 103  and name HN  ) 3.0 1.2 0.3
assi (resi 100  and name HB  ) (resi 103  and name HN  ) 4.0 2.2 1.0
assi (resi 100  and name HG2#) (resi 103  and name HN  ) 4.0 2.2 2.5
assi (resi 100  and name HA  ) (resi 103  and name HB# ) 3.0 1.2 1.3
assi (resi 100  and name HA  ) (resi 103  and name HA  ) 4.0 2.2 1.0

assi (resi 100  and name HA  ) (resi 104  and name HN  ) 4.0 2.2 1.0


! RESIDUE 101 ILE, NOES FORWARD
assi (resi 101  and name HA  ) (resi 101  and name HN  ) 3.0 1.2 0.3
assi (resi 101  and name HB  ) (resi 101  and name HN  ) 3.0 1.2 0.3
assi (resi 101  and name HG11) (resi 101  and name HN  ) 4.0 2.2 1.0
assi (resi 101  and name HG12) (resi 101  and name HN  ) 4.0 2.2 1.0
assi (resi 101  and name HG2#) (resi 101  and name HN  ) 4.0 2.2 2.5
assi (resi 101  and name HA  ) (resi 101  and name HB  ) 3.0 1.2 0.3
assi (resi 101  and name HA  ) (resi 101  and name HG11) 4.0 2.2 1.0
assi (resi 101  and name HA  ) (resi 101  and name HG12) 4.0 2.2 1.0
assi (resi 101  and name HA  ) (resi 101  and name HG2#) 3.0 1.2 1.8

assi (resi 101  and name HA  ) (resi 102  and name HN  ) 3.0 1.2 0.3
assi (resi 101  and name HB  ) (resi 102  and name HN  ) 3.0 1.2 0.3
assi (resi 101  and name HG2#) (resi 102  and name HN  ) 3.0 1.2 1.8
assi (resi 101  and name HG2#) (resi 102  and name HA  ) 4.0 2.2 2.5
assi (resi 101  and name HG2#) (resi 102  and name HD2#) 4.0 2.2 3.5

assi (resi 101  and name HA  ) (resi 103  and name HN  ) 4.0 2.2 1.0

assi (resi 101  and name HA  ) (resi 104  and name HN  ) 3.0 1.2 0.3
assi (resi 101  and name HA  ) (resi 104  and name HB2 ) 4.0 2.2 1.0
assi (resi 101  and name HA  ) (resi 104  and name HG  ) 4.0 2.2 1.0

assi (resi 101  and name HA  ) (resi 105  and name HN  ) 4.0 2.2 1.0
assi (resi 101  and name HG2#) (resi 105  and name HN  ) 3.0 1.2 1.8
assi (resi 101  and name HG2#) (resi 105  and name HA  ) 4.0 2.2 2.5
assi (resi 101  and name HA  ) (resi 105  and name HB  ) 4.0 2.2 1.0
assi (resi 101  and name HG2#) (resi 105  and name HB  ) 2.5 0.7 1.7
assi (resi 101  and name HG2#) (resi 105  and name HG1#) 3.0 1.2 3.3
assi (resi 101  and name HG2#) (resi 105  and name HG2#) 3.0 1.2 3.3

! RESIDUE 102 ASN, NOES FORWARD
assi (resi 102  and name HN  ) (resi 102  and name HA  ) 3.0 1.2 0.3
assi (resi 102  and name HN  ) (resi 102  and name HB2 ) 4.0 2.2 1.0
assi (resi 102  and name HN  ) (resi 102  and name hb1 ) 4.0 2.2 1.0
assi (resi 102  and name HB2 ) (resi 102  and name HD2#) 4.0 2.2 2.0
assi (resi 102  and name hb1 ) (resi 102  and name HD2#) 4.0 2.2 2.0

assi (resi 102  and name HN  ) (resi 103  and name HN  ) 3.0 1.2 0.3
assi (resi 102  and name HA  ) (resi 103  and name HN  ) 4.0 2.2 1.0
assi (resi 102  and name HB2 ) (resi 103  and name HN  ) 4.0 2.2 1.0
assi (resi 102  and name hb1 ) (resi 103  and name HN  ) 4.0 2.2 1.0

assi (resi 102  and name HN  ) (resi 104  and name HN  ) 5.0 2.0 1.0

assi (resi 102  and name HA  ) (resi 105  and name HN  ) 3.0 1.2 0.3
assi (resi 102  and name HA  ) (resi 105  and name HB  ) 3.0 1.2 0.3
assi (resi 102  and name HA  ) (resi 105  and name HG* ) 4.0 2.2 3.4
assi (resi 102  and name HN  ) (resi 105  and name HB  ) 4.0 2.2 1.0

! RESIDUE 103 GLU, NOES FORWARD
assi (resi 103  and name HN  ) (resi 103  and name HA  ) 3.0 1.2 0.3
assi (resi 103  and name HA  ) (resi 103  and name HG# ) 4.0 2.2 2.0

assi (resi 103  and name HN  ) (resi 104  and name HN  ) 4.0 2.2 1.0
assi (resi 103  and name HA  ) (resi 104  and name HN  ) 4.0 2.2 1.0
assi (resi 103  and name hb# ) (resi 104  and name HN  ) 3.0 1.2 1.3
assi (resi 103  and name HN  ) (resi 104  and name HD2#) 4.0 2.2 2.5

! RESIDUE 104 LEU, NOES FORWARD
assi (resi 104  and name HN  ) (resi 104  and name HA  ) 3.0 1.2 0.3
assi (resi 104  and name HN  ) (resi 104  and name HB2 ) 3.0 1.2 0.3
assi (resi 104  and name HN  ) (resi 104  and name HG  ) 2.5 0.7 0.2
assi (resi 104  and name HN  ) (resi 104  and name HD1#) 4.0 2.2 2.5
assi (resi 104  and name HN  ) (resi 104  and name HD2#) 3.0 1.2 1.8
assi (resi 104  and name HA  ) (resi 104  and name HB1 ) 3.0 1.2 0.3
assi (resi 104  and name HA  ) (resi 104  and name HD1#) 4.0 2.2 2.5
assi (resi 104  and name HA  ) (resi 104  and name HD2#) 3.0 1.2 1.8

assi (resi 104  and name HN  ) (resi 105  and name HN  ) 4.0 2.2 1.0
assi (resi 104  and name HA  ) (resi 105  and name HN  ) 3.0 1.2 0.3
assi (resi 104  and name HB2 ) (resi 105  and name HN  ) 4.0 2.2 1.0
assi (resi 104  and name HG  ) (resi 105  and name HN  ) 4.0 2.2 1.0
assi (resi 104  and name HD1#) (resi 105  and name HN  ) 4.0 2.2 2.5
assi (resi 104  and name HD2#) (resi 105  and name HN  ) 4.0 2.2 2.5
assi (resi 104  and name HD2#) (resi 105  and name HA  ) 5.0 2.0 2.5
assi (resi 104  and name HN  ) (resi 105  and name HA  ) 4.0 2.2 1.0

! RESIDUE 105 VAL, INTRARESIDUE NOES
assi (resi 105  and name HN  ) (resi 105  and name HA  ) 3.0 1.2 0.3
assi (resi 105  and name HN  ) (resi 105  and name HG1#) 3.0 1.2 1.8
assi (resi 105  and name HN  ) (resi 105  and name HG2#) 3.0 1.2 1.8
assi (resi 105  and name HA  ) (resi 105  and name HB  ) 2.5 0.7 0.2
assi (resi 105  and name HA  ) (resi 105  and name HG2#) 3.0 1.2 1.8
assi (resi 105  and name HA  ) (resi 105  and name HG1#) 4.0 2.2 2.5
assi (resi 105  and name HN  ) (resi 105  and name HB  ) 3.0 1.2 0.3


!HUMAN TRX HYDROGEN BOND DISTANCE CONSTRAINTS

assign (resid 3 and name o) (resid 56 and name n) 2.8 0.4 0.5
assign (resid 3 and name o) (resid 56 and name hn) 1.8 0.3 0.5

assign (resid 28 and name o) (resid 59 and name n) 2.8 0.4 0.5
assign (resid 28 and name o) (resid 59 and name hn) 1.8 0.3 0.5

assign (resid 57 and name o) (resid 28 and name n) 2.8 0.4 0.5
assign (resid 57 and name o) (resid 28 and name hn) 1.8 0.3 0.5

assign (resid 26 and name o) (resid 57 and name n) 2.8 0.4 0.5
assign (resid 26 and name o) (resid 57 and name hn) 1.8 0.3 0.5

assign (resid 55 and name o) (resid 26 and name n) 2.8 0.4 0.5
assign (resid 55 and name o) (resid 26 and name hn) 1.8 0.3 0.5

assign (resid 24 and name o) (resid 55 and name n) 2.8 0.4 0.5
assign (resid 24 and name o) (resid 55 and name hn) 1.8 0.3 0.5

assign (resid 53 and name o) (resid 24 and name n) 2.8 0.4 0.5
assign (resid 53 and name o) (resid 24 and name hn) 1.8 0.3 0.5

assign (resid 22 and name o) (resid 53 and name n) 2.8 0.4 0.5
assign (resid 22 and name o) (resid 53 and name hn) 1.8 0.3 0.5

assign (resid 80 and name o) (resid 23 and name n) 2.8 0.4 0.5
assign (resid 80 and name o) (resid 23 and name hn) 1.8 0.3 0.5

assign (resid 23 and name o) (resid 80 and name n) 2.8 0.4 0.5
assign (resid 23 and name o) (resid 80 and name hn) 1.8 0.3 0.5

assign (resid 25 and name o) (resid 78 and name n) 2.8 0.4 0.5
assign (resid 25 and name o) (resid 78 and name hn) 1.8 0.3 0.5

assign (resid 78 and name o) (resid 25 and name n) 2.8 0.4 0.5
assign (resid 78 and name o) (resid 25 and name hn) 1.8 0.3 0.5

assign (resid 76 and name o) (resid 27 and name n) 2.8 0.4 0.5
assign (resid 76 and name o) (resid 27 and name hn) 1.8 0.3 0.5

assign (resid 27 and name o) (resid 76 and name n) 2.8 0.4 0.5
assign (resid 27 and name o) (resid 76 and name hn) 1.8 0.3 0.5

assign (resid 81 and name o) (resid 84 and name n) 2.8 0.4 0.5
assign (resid 81 and name o) (resid 84 and name hn) 1.8 0.3 0.5

assign (resid 84 and name o) (resid 81 and name n) 2.8 0.4 0.5
assign (resid 84 and name o) (resid 81 and name hn) 1.8 0.3 0.5

assign (resid 87 and name o) (resid 79 and name n) 2.8 0.4 0.5
assign (resid 87 and name o) (resid 79 and name hn) 1.8 0.3 0.5

assign (resid 89 and name o) (resid 77 and name n) 2.8 0.4 0.5
assign (resid 89 and name o) (resid 77 and name hn) 1.8 0.3 0.5

assign (resid 79 and name o) (resid 86 and name n) 2.8 0.4 0.5
assign (resid 79 and name o) (resid 86 and name hn) 1.8 0.3 0.5

assign (resid 75 and name o) (resid 91 and name n) 2.8 0.4 0.5
assign (resid 75 and name o) (resid 91 and name hn) 1.8 0.3 0.5

assign (resid 91 and name o) (resid 93 and name n) 2.8 0.4 0.5
assign (resid 91 and name o) (resid 93 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 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 63 and name o) (resid 67 and name n) 2.8 0.4 0.5
assign (resid 63 and name o) (resid 67 and name hn) 1.8 0.3 0.5

assign (resid 96 and name o) (resid 100 and name n) 2.8 0.4 0.5
assign (resid 96 and name o) (resid 100 and name hn) 1.8 0.3 0.5

assign (resid 98 and name o) (resid 102 and name n) 2.8 0.4 0.5
assign (resid 98 and name o) (resid 102 and name hn) 1.8 0.3 0.5


B. Torsion angle restraints

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

!remark phi angle constraints

  !!    v2
 assign (resid  1  and name c ) (resid  2  and name n ) 
        (resid  2  and name ca) (resid  2  and name c )   1.0  -75.0 95.0 2
  !!    k3
 assign (resid  2  and name c ) (resid  3  and name n ) 
        (resid  3  and name ca) (resid  3  and name c )   1.0  -120.0 35.0 2
  !!    q4
 assign (resid  3  and name c ) (resid  4  and name n ) 
        (resid  4  and name ca) (resid  4  and name c )   1.0  -120.0 55.0 2
  !!    i5
 assign (resid  4  and name c ) (resid  5  and name n ) 
        (resid  5  and name ca) (resid  5  and name c )   1.0  -90.0 30.0 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  -145.0 30.0 2
  !!    s7
 assign (resid  6  and name c ) (resid  7  and name n ) 
        (resid  7  and name ca) (resid  7  and name c )  1.0 -150.0 30.0 2
  !!    k8
 assign (resid  7  and name c ) (resid  8  and name n ) 
        (resid  8  and name ca) (resid  8  and name c )   1.0  -55.0 40.0 2
  !!    t9
 assign (resid  8  and name c ) (resid  9  and name n ) 
        (resid  9  and name ca) (resid  9  and name c )   1.0  -55.0 30.0 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  -50.0 30.0 2
  !!    f11
 assign (resid 10 and name c ) (resid 11 and name n ) 
        (resid 11 and name ca) (resid 11 and name c )   1.0  -65.0 30.0 2
  !!    q12
 assign (resid 11 and name c ) (resid 12 and name n ) 
        (resid 12 and name ca) (resid 12 and name c )   1.0  -25.0 50.0 2
  !!    e13
 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 30.0 2
  !!    a14
 assign (resid 13 and name c ) (resid 14 and name n ) 
        (resid 14 and name ca) (resid 14 and name c )   1.0  -65.0 30.0 2
  !!    l15
 assign (resid 14 and name c ) (resid 15 and name n ) 
        (resid 15 and name ca) (resid 15 and name c )   1.0  -65.0 30.0 2
  !!    d16
 assign (resid 15 and name c ) (resid 16 and name n ) 
        (resid 16 and name ca) (resid 16 and name c )   1.0  -65.0 30.0 2
  !!    a17
 assign (resid 16 and name c ) (resid 17 and name n ) 
        (resid 17 and name ca) (resid 17 and name c )   1.0  -75.0 30.0 2
  !!    a18
 assign (resid 17 and name c ) (resid 18 and name n ) 
        (resid 18 and name ca) (resid 18 and name c )   1.0  -65.0 30.0 2
  !!    g19
 assign (resid 18 and name c ) (resid 19 and name n ) 
        (resid 19 and name ca) (resid 19 and name c )   1.0  60.0 45.0 2
  !!    d20
 assign (resid 19 and name c ) (resid 20 and name n ) 
        (resid 20 and name ca) (resid 20 and name c )   1.0  180.0 135.0 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  -75.0 35.0 2
  !!    l22
 assign (resid 21 and name c ) (resid 22 and name n ) 
        (resid 22 and name ca) (resid 22 and name c )   1.0  -70.0 30.0 2
  !!    v23
 assign (resid 22 and name c ) (resid 23 and name n ) 
        (resid 23 and name ca) (resid 23 and name c )   1.0  -120.0 35.0 2
  !!    v24
 assign (resid 23 and name c ) (resid 24 and name n ) 
        (resid 24 and name ca) (resid 24 and name c )   1.0  -120.0 35.0 2
  !!    v25
 assign (resid 24 and name c ) (resid 25 and name n ) 
        (resid 25 and name ca) (resid 25 and name c )   1.0  -120.0 35.0 2
  !!    d26
 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 45.0 2
  !!    f27
 assign (resid 26 and name c ) (resid 27 and name n ) 
        (resid 27 and name ca) (resid 27 and name c )   1.0  -110.0 40.0 2
  !!    s28
 assign (resid 27 and name c ) (resid 28 and name n ) 
        (resid 28 and name ca) (resid 28 and name c )  1.0 -140.0 50.0 2
  !!    a29
 assign (resid 28 and name c ) (resid 29 and name n ) 
        (resid 29 and name ca) (resid 29 and name c )  1.0 -120.0 30.0 2
  !!    t30
 assign (resid 29 and name c ) (resid 30 and name n ) 
        (resid 30 and name ca) (resid 30 and name c )  1.0 -90.0 90.0 2
  !!    w31
 assign (resid 30 and name c ) (resid 31 and name n ) 
        (resid 31 and name ca) (resid 31 and name c )  1.0 -90.0 90.0 2
  !!    c32
 assign (resid 31 and name c ) (resid 32 and name n ) 
        (resid 32 and name ca) (resid 32 and name c )  1.0 -90.0 90.0 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 -85.0 50.0 2
  !!    p34
 assign (resid 33 and name c ) (resid 34 and name n ) 
        (resid 34 and name ca) (resid 34 and name c )  1.0 -85.0 50.0 2
  !!    c35
 assign (resid 34 and name c ) (resid 35 and name n ) 
        (resid 35 and name ca) (resid 35 and name c )  1.0 -90.0 55.0 2
  !!    k36
 assign (resid 35 and name c ) (resid 36 and name n ) 
        (resid 36 and name ca) (resid 36 and name c )  1.0 -110.0 75.0 2
  !!    m37
 assign (resid 36 and name c ) (resid 37 and name n ) 
        (resid 37 and name ca) (resid 37 and name c )  1.0 -65.0 30.0 2
  !!    i38
 assign (resid 37 and name c ) (resid 38 and name n ) 
        (resid 38 and name ca) (resid 38 and name c )  1.0 -120.0 45.0 2
  !!    n39
 assign (resid 38 and name c ) (resid 39 and name n ) 
        (resid 39 and name ca) (resid 39 and name c )  1.0 -55.0 30.0 2
  !!    p40
 assign (resid 39 and name c ) (resid 40 and name n ) 
        (resid 40 and name ca) (resid 40 and name c )  1.0 -80.0 35.0 2
  !!    f41
 assign (resid 40 and name c ) (resid 41 and name n ) 
        (resid 41 and name ca) (resid 41 and name c )  1.0 -75.0 30.0 2
  !!    f42
 assign (resid 41 and name c ) (resid 42 and name n ) 
        (resid 42 and name ca) (resid 42 and name c )  1.0 -55.0 30.0 2
  !!    h43
 assign (resid 42 and name c ) (resid 43 and name n ) 
        (resid 43 and name ca) (resid 43 and name c )  1.0 -55.0 30.0 2
  !!    s44
 assign (resid 43 and name c ) (resid 44 and name n ) 
        (resid 44 and name ca) (resid 44 and name c )  1.0 -70.0 30.0 2
  !!    l45
 assign (resid 44 and name c ) (resid 45 and name n ) 
        (resid 45 and name ca) (resid 45 and name c )  1.0 -55.0 30.0 2
  !!    s46
 assign (resid 45 and name c ) (resid 46 and name n ) 
        (resid 46 and name ca) (resid 46 and name c )  1.0 -55.0 30.0 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 -85.0 30.0 2
  !!    k48
 assign (resid 47 and name c ) (resid 48 and name n ) 
        (resid 48 and name ca) (resid 48 and name c )   1.0  -50.0 55.0 2
  !!    y49
 assign (resid 48 and name c ) (resid 49 and name n ) 
        (resid 49 and name ca) (resid 49 and name c )   1.0  -120.0 45.0 2
  !!    s50
 assign (resid 49 and name c ) (resid 50 and name n ) 
        (resid 50 and name ca) (resid 50 and name c )   1.0  -65.0 30.0 2
  !!    n51
 assign (resid 50 and name c ) (resid 51 and name n ) 
        (resid 51 and name ca) (resid 51 and name c )   1.0  -90.0 30.0 2
  !!    v52
 assign (resid 51 and name c ) (resid 52 and name n ) 
        (resid 52 and name ca) (resid 52 and name c )   1.0  -120.0 35.0 2
  !!    i53
 assign (resid 52 and name c ) (resid 53 and name n ) 
        (resid 53 and name ca) (resid 53 and name c )   1.0  -120.0 35.0 2
  !!    f54
 assign (resid 53 and name c ) (resid 54 and name n ) 
        (resid 54 and name ca) (resid 54 and name c )   1.0  -120.0 35.0 2
  !!    l55
 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 35.0 2
  !!    e56
 assign (resid 55 and name c ) (resid 56 and name n ) 
        (resid 56 and name ca) (resid 56 and name c )   1.0  -120.0 35.0 2
  !!    v57
 assign (resid 56 and name c ) (resid 57 and name n ) 
        (resid 57 and name ca) (resid 57 and name c )   1.0  -120.0 35.0 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  -80.0 30.0 2
  !!    v59
 assign (resid 58 and name c ) (resid 59 and name n ) 
        (resid 59 and name ca) (resid 59 and name c )   1.0  -55.0 30.0 2
  !!    d60
 assign (resid 59 and name c ) (resid 60 and name n ) 
        (resid 60 and name ca) (resid 60 and name c )   1.0  -110.0 35.0 2
  !!    d61
 assign (resid 60 and name c ) (resid 61 and name n ) 
        (resid 61 and name ca) (resid 61 and name c )   1.0  -80.0 30.0 2
  !!    c62
 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 35.0 2
  !!    q63
 assign (resid 62 and name c ) (resid 63 and name n ) 
        (resid 63 and name ca) (resid 63 and name c )   1.0  -65.0 30.0 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 -75.0 30.0 2
  !!    v65
 assign (resid 64 and name c ) (resid 65 and name n ) 
        (resid 65 and name ca) (resid 65 and name c )   1.0  -75.0 30.0 2
  !!    a66
 assign (resid 65 and name c ) (resid 66 and name n ) 
        (resid 66 and name ca) (resid 66 and name c )   1.0 -65.0 30.0 2
  !!    e68
 assign (resid 67 and name c ) (resid 68 and name n ) 
        (resid 68 and name ca) (resid 68 and name c )   1.0 -65.0 30.0 2
  !!    c69
 assign (resid 68 and name c ) (resid 69 and name n ) 
        (resid 69 and name ca) (resid 69 and name c )   1.0  -115.0 40.0 2
  !!    e70
 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 35.0 2
  !!    v71
 assign (resid 70 and name c ) (resid 71 and name n ) 
        (resid 71 and name ca) (resid 71 and name c )   1.0  -85.0 30.0 2
  !!    k72
 assign (resid 71 and name c ) (resid 72 and name n ) 
        (resid 72 and name ca) (resid 72 and name c )   1.0  -115.0 30.0 2
  !!    c73
 assign (resid 72 and name c ) (resid 73 and name n ) 
        (resid 73 and name ca) (resid 73 and name c )  1.0 -150.0 30.0 2
  !!    t76
 assign (resid 75 and name c ) (resid 76 and name n ) 
        (resid 76 and name ca) (resid 76 and name c )   1.0 -120.0 55.0 2
  !!    f77
 assign (resid 76 and name c ) (resid 77 and name n ) 
        (resid 77 and name ca) (resid 77 and name c )   1.0  -120.0 35.0 2
  !!    q78
 assign (resid 77 and name c ) (resid 78 and name n ) 
        (resid 78 and name ca) (resid 78 and name c )   1.0  -120.0 35.0 2
  !!    f79
 assign (resid 78 and name c ) (resid 79 and name n ) 
        (resid 79 and name ca) (resid 79 and name c )   1.0  -120.0 30.0 2
  !!    f80
 assign (resid 79 and name c ) (resid 80 and name n ) 
        (resid 80 and name ca) (resid 80 and name c )   1.0  -120.0 35.0 2
  !!    k81
 assign (resid 80 and name c ) (resid 81 and name n ) 
        (resid 81 and name ca) (resid 81 and name c )   1.0 -120.0 55.0 2
  !!    k82
 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 45.0 2
  !!    g83
 assign (resid 82 and name c ) (resid 83 and name n ) 
        (resid 83 and name ca) (resid 83 and name c )   1.0 95.0 90.0 2
  !!    q84
 assign (resid 83 and name c ) (resid 84 and name n ) 
        (resid 84 and name ca) (resid 84 and name c )   1.0  -120.0 35.0 2
  !!    k85
 assign (resid 84 and name c ) (resid 85 and name n ) 
        (resid 85 and name ca) (resid 85 and name c )   1.0  -70.0 30.0 2
  !!    v86
 assign (resid 85 and name c ) (resid 86 and name n ) 
        (resid 86 and name ca) (resid 86 and name c )   1.0  -120.0 35.0 2
  !!    e88
 assign (resid 87 and name c ) (resid 88 and name n ) 
        (resid 88 and name ca) (resid 88 and name c )   1.0 -160.0 30.0 2
  !!    s90
 assign (resid 89 and name c ) (resid 90 and name n ) 
        (resid 90 and name ca) (resid 90 and name c )   1.0 -120.0 45.0 2
  !!    g91
 assign (resid 90 and name c ) (resid 91 and name n ) 
        (resid 91 and name ca) (resid 91 and name c )   1.0  90.0 85.0 2
  !!    a92
 assign (resid 91 and name c ) (resid 92 and name n ) 
        (resid 92 and name ca) (resid 92 and name c )   1.0  -80.0 30.0 2
  !!    n93
 assign (resid 92 and name c ) (resid 93 and name n ) 
        (resid 93 and name ca) (resid 93 and name c )   1.0 -120.0 55.0 2
  !!    e95
 assign (resid 94 and name c ) (resid 95 and name n ) 
        (resid 95 and name ca) (resid 95 and name c )   1.0 -65.0 30.0 2
  !!    k96
 assign (resid 95 and name c ) (resid 96 and name n ) 
        (resid 96 and name ca) (resid 96 and name c )   1.0  -40.0 45.0 2
  !!    l97
 assign (resid 96 and name c ) (resid 97 and name n ) 
        (resid 97 and name ca) (resid 97 and name c )   1.0 -55.0 30.0 2
  !!    e98
 assign (resid 97 and name c ) (resid 98 and name n ) 
        (resid 98 and name ca) (resid 98 and name c )   1.0 -65.0 30.0 2
  !!    a99
 assign (resid 98 and name c ) (resid 99 and name n ) 
        (resid 99 and name ca) (resid 99 and name c )   1.0 -60.0 30.0 2
  !!    t100
 assign (resid 99 and name c ) (resid 100 and name n ) 
        (resid 100 and name ca) (resid 100 and name c )   1.0 -70.0 30.0 2
  !!    i101
 assign (resid 100 and name c ) (resid 101 and name n ) 
        (resid 101 and name ca) (resid 101 and name c )   1.0  -65.0 30.0 2
  !!    n102
 assign (resid 101 and name c ) (resid 102 and name n ) 
        (resid 102 and name ca) (resid 102 and name c )   1.0 -30.0 65.0 2
  !!    e103
 assign (resid 102 and name c ) (resid 103 and name n ) 
        (resid 103 and name ca) (resid 103 and name c )   1.0 -85.0 30.0 2
  !!    l104
 assign (resid 103 and name c ) (resid 104 and name n ) 
        (resid 104 and name ca) (resid 104 and name c )   1.0 -120.0 45.0 2
  !!    v105
 assign (resid 104 and name c ) (resid 105 and name n ) 
        (resid 105 and name ca) (resid 105 and name c )   1.0  -75.0 30.0 2

!remark psi angles constraints

  !!    k3
 assign (resid 3 and name n ) (resid 3 and name ca) 
        (resid 3 and name c ) (resid 4 and name n )   1.0  110.0 145.0 2
  !!    i5
 assign (resid 5 and name n ) (resid 5 and name ca) 
        (resid 5 and name c ) (resid 6 and name n )   1.0  115.0 90.0 2
  !!    e6
 assign (resid 6 and name n ) (resid 6 and name ca) 
        (resid 6 and name c ) (resid 7 and name n )   1.0  -10.0 75.0 2
  !!    s7
 assign (resid 7 and name n ) (resid 7 and name ca) 
        (resid 7 and name c ) (resid 8 and name n )   1.0  -165.0 90.0 2
  !!    k8
 assign (resid 8 and name n ) (resid 8 and name ca) 
        (resid 8 and name c ) (resid 9 and name n )   1.0  -50.0 50.0 2
  !!    t9
 assign (resid 9 and name n ) (resid 9 and name ca) 
        (resid 9 and name c ) (resid 10 and name n )   1.0  -45.0 50.0 2
  !!    a14
 assign (resid 14 and name n ) (resid 14 and name ca) 
        (resid 14 and name c ) (resid 15 and name n )   1.0  0.0 105.0 2
  !!    l15
 assign (resid 15 and name n ) (resid 15 and name ca) 
        (resid 15 and name c ) (resid 16 and name n )   1.0  -30.0 105.0 2
  !!    a17
 assign (resid 17 and name n ) (resid 17 and name ca) 
        (resid 17 and name c ) (resid 18 and name n )   1.0  5.0 60.0 2
  !!    a18
 assign (resid 18 and name n ) (resid 18 and name ca) 
        (resid 18 and name c ) (resid 19 and name n )   1.0  0.0 85.0 2
  !!    g19
 assign (resid 19 and name n ) (resid 19 and name ca) 
        (resid 19 and name c ) (resid 20 and name n )   1.0  -85.0 90.0 2
  !!    d20
 assign (resid 20 and name n ) (resid 20 and name ca) 
        (resid 20 and name c ) (resid 21 and name n )   1.0  0.0 85.0 2
  !!    k21
 assign (resid 21 and name n ) (resid 21 and name ca) 
        (resid 21 and name c ) (resid 22 and name n )   1.0  110.0 85.0 2
  !!    l22
 assign (resid 22 and name n ) (resid 22 and name ca) 
        (resid 22 and name c ) (resid 23 and name n )   1.0  110.0 85.0 2
  !!    v24
 assign (resid 24 and name n ) (resid 24 and name ca) 
        (resid 24 and name c ) (resid 25 and name n )   1.0  115.0 90.0 2
  !!    d26
 assign (resid 26 and name n ) (resid 26 and name ca) 
        (resid 26 and name c ) (resid 27 and name n )   1.0  100.0 155.0 2
  !!    f27
 assign (resid 27 and name n ) (resid 27 and name ca) 
        (resid 27 and name c ) (resid 28 and name n )   1.0  110.0 135.0 2
  !!    s28
 assign (resid 28 and name n ) (resid 28 and name ca) 
        (resid 28 and name c ) (resid 29 and name n )  1.0 180.0 50.0 2
  !!    a29
 assign (resid 29 and name n ) (resid 29 and name ca) 
        (resid 29 and name c ) (resid 30 and name n )  1.0 170.0 50.0 2
  !!    g33
 assign (resid 33 and name n ) (resid 33 and name ca) 
        (resid 33 and name c ) (resid 34 and name n )  1.0 -85.0 90.0 2
  !!    p34
 assign (resid 34 and name n ) (resid 34 and name ca) 
        (resid 34 and name c ) (resid 35 and name n )  1.0 -5.0 75.0 2
  !!    c35
 assign (resid 35 and name n ) (resid 35 and name ca) 
        (resid 35 and name c ) (resid 36 and name n )  1.0 -5.0 60.0 2
  !!    k36
 assign (resid 36 and name n ) (resid 36 and name ca) 
        (resid 36 and name c ) (resid 37 and name n )  1.0 -40.0 50.0 2
  !!    m37
 assign (resid 37 and name n ) (resid 37 and name ca) 
        (resid 37 and name c ) (resid 38 and name n )  1.0 85.0 170.0 2
  !!    i38
 assign (resid 38 and name n ) (resid 38 and name ca) 
        (resid 38 and name c ) (resid 39 and name n )  1.0 65.0 130.0 2
  !!    n39
 assign (resid 39 and name n ) (resid 39 and name ca) 
        (resid 39 and name c ) (resid 40 and name n )  1.0 -35.0 50.0 2
  !!    p40
 assign (resid 40 and name n ) (resid 40 and name ca) 
        (resid 40 and name c ) (resid 41 and name n )  1.0 -40.0 50.0 2
  !!    f41
 assign (resid 41 and name n ) (resid 41 and name ca) 
        (resid 41 and name c ) (resid 42 and name n )  1.0 -10.0 50.0 2
  !!    f42
 assign (resid 42 and name n ) (resid 42 and name ca) 
        (resid 42 and name c ) (resid 43 and name n )  1.0 -50.0 50.0 2
  !!    h43
 assign (resid 43 and name n ) (resid 43 and name ca) 
        (resid 43 and name c ) (resid 44 and name n )  1.0 -50.0 50.0 2
  !!    s44
 assign (resid 44 and name n ) (resid 44 and name ca) 
        (resid 44 and name c ) (resid 45 and name n )  1.0 85.0 170.0 2
  !!    l45
 assign (resid 45 and name n ) (resid 45 and name ca) 
        (resid 45 and name c ) (resid 46 and name n )  1.0 -30.0 50.0 2
  !!    s46
 assign (resid 46 and name n ) (resid 46 and name ca) 
        (resid 46 and name c ) (resid 47 and name n )  1.0 -45.0 50.0 2
  !!    e47
 assign (resid 47 and name n ) (resid 47 and name ca) 
        (resid 47 and name c ) (resid 48 and name n )   1.0 -15.0 90.0 2
  !!    k48
 assign (resid 48 and name n ) (resid 48 and name ca) 
        (resid 48 and name c ) (resid 49 and name n )   1.0  -25.0 70.0 2
  !!    v52
 assign (resid 52 and name n ) (resid 52 and name ca) 
        (resid 52 and name c ) (resid 53 and name n )   1.0  140.0 115.0 2
  !!    i53
 assign (resid 53 and name n ) (resid 53 and name ca) 
        (resid 53 and name c ) (resid 54 and name n )   1.0  115.0 90.0 2
  !!    f54
 assign (resid 54 and name n ) (resid 54 and name ca) 
        (resid 54 and name c ) (resid 55 and name n )   1.0  115.0 90.0 2
  !!    l55
 assign (resid 55 and name n ) (resid 55 and name ca) 
        (resid 55 and name c ) (resid 56 and name n )   1.0  110.0 135.0 2
  !!    v57
 assign (resid 57 and name n ) (resid 57 and name ca) 
        (resid 57 and name c ) (resid 58 and name n )   1.0  115.0 90.0 2
  !!    d58 
 assign (resid 58 and name n ) (resid 58 and name ca) 
        (resid 58 and name c ) (resid 59 and name n )   1.0  85.0 90.0 2
  !!    v59
 assign (resid 59 and name n ) (resid 59 and name ca) 
        (resid 59 and name c ) (resid 60 and name n )   1.0  85.0 160.0 2
  !!    d60
 assign (resid 60 and name n ) (resid 60 and name ca) 
        (resid 60 and name c ) (resid 61 and name n )   1.0  -50.0 50.0 2
  !!    d61
 assign (resid 61 and name n ) (resid 61 and name ca) 
        (resid 61 and name c ) (resid 62 and name n )   1.0  0.0 85.0 2
  !!    c62
 assign (resid 62 and name n ) (resid 62 and name ca) 
        (resid 62 and name c ) (resid 63 and name n )   1.0  110.0 135.0 2
  !!    q63
 assign (resid 63 and name n ) (resid 63 and name ca) 
        (resid 63 and name c ) (resid 64 and name n )   1.0  25.0 60.0 2
  !!    d64
 assign (resid 64 and name n ) (resid 64 and name ca) 
        (resid 64 and name c ) (resid 65 and name n )   1.0  -5.0 70.0 2
  !!    e68
 assign (resid 68 and name n ) (resid 68 and name ca) 
        (resid 68 and name c ) (resid 69 and name n )   1.0  0.0 85.0 2
  !!    c69
 assign (resid 69 and name n ) (resid 69 and name ca) 
        (resid 69 and name c ) (resid 70 and name n )   1.0  0.0 50.0 2
  !!    e70
 assign (resid 70 and name n ) (resid 70 and name ca) 
        (resid 70 and name c ) (resid 71 and name n )   1.0  95.0 150.0 2
  !!    v71
 assign (resid 71 and name n ) (resid 71 and name ca) 
        (resid 71 and name c ) (resid 72 and name n )   1.0  115.0 90.0 2
  !!    k72
 assign (resid 72 and name n ) (resid 72 and name ca) 
        (resid 72 and name c ) (resid 73 and name n )   1.0  -20.0 65.0 2
  !!    t76
 assign (resid 76 and name n ) (resid 76 and name ca) 
        (resid 76 and name c ) (resid 77 and name n )   1.0  140.0 115.0 2
  !!    f77
 assign (resid 77 and name n ) (resid 77 and name ca) 
        (resid 77 and name c ) (resid 78 and name n )   1.0  120.0 75.0 2
  !!    q78
 assign (resid 78 and name n ) (resid 78 and name ca) 
        (resid 78 and name c ) (resid 79 and name n )   1.0  120.0 75.0 2
  !!    f79
 assign (resid 79 and name n ) (resid 79 and name ca) 
        (resid 79 and name c ) (resid 80 and name n )   1.0  130.0 75.0 2
  !!    f80
 assign (resid 80 and name n ) (resid 80 and name ca) 
        (resid 80 and name c ) (resid 81 and name n )   1.0  125.0 80.0 2
  !!    k81
 assign (resid 81 and name n ) (resid 81 and name ca) 
        (resid 81 and name c ) (resid 82 and name n )   1.0  135.0 120.0 2
  !!    k85
 assign (resid 85 and name n ) (resid 85 and name ca) 
        (resid 85 and name c ) (resid 86 and name n )   1.0  110.0 85.0 2
  !!    v86
 assign (resid 86 and name n ) (resid 86 and name ca) 
        (resid 86 and name c ) (resid 87 and name n )   1.0  -15.0 90.0 2
  !!    g87
 assign (resid 87 and name n ) (resid 87 and name ca) 
        (resid 87 and name c ) (resid 88 and name n )   1.0  150.0 50.0 2
  !!    e88
 assign (resid 88 and name n ) (resid 88 and name ca) 
        (resid 88 and name c ) (resid 89 and name n )   1.0  -175.0 60.0 2
  !!    f89
 assign (resid 89 and name n ) (resid 89 and name ca) 
        (resid 89 and name c ) (resid 90 and name n )   1.0  110.0 135.0 2
  !!    s90
 assign (resid 90 and name n ) (resid 90 and name ca) 
        (resid 90 and name c ) (resid 91 and name n )   1.0  165.0 50.0 2
  !!    g91
 assign (resid 91 and name n ) (resid 91 and name ca) 
        (resid 91 and name c ) (resid 92 and name n )   1.0  95.0 90.0 2
  !!    a92
 assign (resid 92 and name n ) (resid 92 and name ca) 
        (resid 92 and name c ) (resid 93 and name n )   1.0  110.0 85.0 2
  !!    k94
 assign (resid 94 and name n ) (resid 94 and name ca) 
        (resid 94 and name c ) (resid 95 and name n )   1.0  -15.0 80.0 2
  !!    e95
 assign (resid 95 and name n ) (resid 95 and name ca) 
        (resid 95 and name c ) (resid 96 and name n )   1.0  0.0 85.0 2
  !!    k96
 assign (resid 96 and name n ) (resid 96 and name ca) 
        (resid 96 and name c ) (resid 97 and name n )   1.0  -25.0 70.0 2
  !!    e98
 assign (resid 98 and name n ) (resid 98 and name ca) 
        (resid 98 and name c ) (resid 99 and name n )   1.0  0.0 105.0 2
  !!    i101
 assign (resid 101 and name n ) (resid 101 and name ca) 
        (resid 101 and name c ) (resid 102 and name n )   1.0  -95.0 70.0 2


!remark chi angles constraints

  !!   v2
 assign (resid 2 and name n ) (resid 2 and name ca) 
        (resid 2 and name cb) (resid 2 and name cg1)   1.0   165.0 40.0 2
  !!   k3
 assign (resid 3 and name n ) (resid 3 and name ca) 
        (resid 3 and name cb) (resid 3 and name cg)  1.0 180.0 40.0 2
  !!   q4
 assign (resid 4 and name n ) (resid 4 and name ca) 
        (resid 4 and name cb) (resid 4 and name cg)  1.0 180.0 40.0 2 
  !!   i5
 assign (resid 5 and name n ) (resid 5 and name ca) 
        (resid 5 and name cb) (resid 5 and name cg1)   1.0   -65.0 40.0 2
  !!   s7
 assign (resid 7 and name n ) (resid 7 and name ca) 
        (resid 7 and name cb) (resid 7 and name og)   1.0   60.0 20.0 2
  !!   k8
 assign (resid 8 and name n ) (resid 8 and name ca) 
        (resid 8 and name cb) (resid 8 and name cg)   1.0   165.0 20.0 2
  !!   t9
 assign (resid 9 and name n ) (resid 9 and name ca) 
        (resid 9 and name cb) (resid 9 and name og1)   1.0   -80.0 45.0 2
  !!   f11
 assign (resid 11 and name n ) (resid 11 and name ca) 
        (resid 11 and name cb) (resid 11 and name cg)   1.0   170.0 20.0 2
  !!   l15
 assign (resid 15 and name n ) (resid 15 and name ca) 
        (resid 15 and name cb) (resid 15 and name cg)  1.0 -55.0 20.0 2
  !!   d16
 assign (resid 16 and name n ) (resid 16 and name ca) 
        (resid 16 and name cb) (resid 16 and name cg)  1.0 -165.0 40.0 2
  !!   d20
 assign (resid 20 and name n ) (resid 20 and name ca) 
        (resid 20 and name cb) (resid 20 and name cg)  1.0 -120.0 135.0 2
  !!   k21
 assign (resid 21 and name n ) (resid 21 and name ca) 
        (resid 21 and name cb) (resid 21 and name cg)  1.0 -60.0 40.0 2
  !!   v23
 assign (resid 23 and name n ) (resid 23 and name ca) 
        (resid 23 and name cb) (resid 23 and name cg1)   1.0   180.0 35.0 2
  !!   v24
 assign (resid 24 and name n ) (resid 24 and name ca) 
        (resid 24 and name cb) (resid 24 and name cg1)   1.0   135.0 45.0 2
  !!   v25
 assign (resid 25 and name n ) (resid 25 and name ca) 
        (resid 25 and name cb) (resid 25 and name cg1)   1.0   180.0 45.0 2
  !!   d26
 assign (resid 26 and name n ) (resid 26 and name ca) 
        (resid 26 and name cb) (resid 26 and name cg)  1.0 180.0 40.0 2
  !!   f27
 assign (resid 27 and name n ) (resid 27 and name ca) 
        (resid 27 and name cb) (resid 27 and name cg)  1.0 -45.0 40.0 2
  !!   t30
 assign (resid 30 and name n ) (resid 30 and name ca) 
        (resid 30 and name cb) (resid 30 and name og1)  1.0 180.0 45.0 2
  !!   w31
 assign (resid 31 and name n ) (resid 31 and name ca) 
        (resid 31 and name cb) (resid 31 and name cg)  1.0 60.0 40.0 2
  !!   c32
 assign (resid 32 and name n ) (resid 32 and name ca) 
        (resid 32 and name cb) (resid 32 and name sg)  1.0 180.0 40.0 2
  !!   p34
 assign (resid 34 and name n ) (resid 34 and name ca) 
        (resid 34 and name cb) (resid 34 and name cg)  1.0 -30.0 20.0 2
  !!   c35
 assign (resid 35 and name n ) (resid 35 and name ca) 
        (resid 35 and name cb) (resid 35 and name sg)  1.0 -55.0 20.0 2
  !!   k36
 assign (resid 36 and name n ) (resid 36 and name ca) 
        (resid 36 and name cb) (resid 36 and name cg)  1.0 165.0 30.0 2
  !!   i38
 assign (resid 38 and name n ) (resid 38 and name ca) 
        (resid 38 and name cb) (resid 38 and name cg1)  1.0 -65.0 50.0 2
  !!   p40
 assign (resid 40 and name n ) (resid 40 and name ca) 
        (resid 40 and name cb) (resid 40 and name cg)  1.0 -15.0 20.0 2
  !!   f41
 assign (resid 41 and name n ) (resid 41 and name ca) 
        (resid 41 and name cb) (resid 41 and name cg)  1.0 -35.0 40.0 2
  !!   f42
 assign (resid 42 and name n ) (resid 42 and name ca) 
        (resid 42 and name cb) (resid 42 and name cg)  1.0 175.0 20.0 2
  !!   h43
 assign (resid 43 and name n ) (resid 43 and name ca) 
        (resid 43 and name cb) (resid 43 and name cg)  1.0 170.0 25.0 2
  !!   l45
 assign (resid 45 and name n ) (resid 45 and name ca) 
        (resid 45 and name cb) (resid 45 and name cg)  1.0 -55.0 20.0 2
  !!   s46
 assign (resid 46 and name n ) (resid 46 and name ca) 
        (resid 46 and name cb) (resid 46 and name og)  1.0 180.0 85.0 2
  !!   e47
 assign (resid 47 and name n ) (resid 47 and name ca) 
        (resid 47 and name cb) (resid 47 and name cg)  1.0 -60.0 20.0 2
  !!   k48
 assign (resid 48 and name n ) (resid 48 and name ca) 
        (resid 48 and name cb) (resid 48 and name cg)  1.0 -175.0 40.0 2
  !!   y49
 assign (resid 49 and name n ) (resid 49 and name ca) 
        (resid 49 and name cb) (resid 49 and name cg)  1.0 -60.0 40.0 2
  !!   s50
 assign (resid 50 and name n ) (resid 50 and name ca) 
        (resid 50 and name cb) (resid 50 and name og)  1.0 65.0 20.0 2
  !!   n51
 assign (resid 51 and name n ) (resid 51 and name ca) 
        (resid 51 and name cb) (resid 51 and name cg)  1.0 -170.0 25.0 2
  !!   v52
 assign (resid 52 and name n ) (resid 52 and name ca) 
        (resid 52 and name cb) (resid 52 and name cg1)  1.0 -175.0 40.0 2
  !!   i53
 assign (resid 53 and name n ) (resid 53 and name ca) 
        (resid 53 and name cb) (resid 53 and name cg1)  1.0   -115.0 90.0 2
  !!   f54
 assign (resid 54 and name n ) (resid 54 and name ca) 
        (resid 54 and name cb) (resid 54 and name cg)  1.0 -55.0 20.0 2
  !!   l55
 assign (resid 55 and name n ) (resid 55 and name ca) 
        (resid 55 and name cb) (resid 55 and name cg)  1.0 -55.0 20.0 2
  !!   v57
 assign (resid 57 and name n ) (resid 57 and name ca) 
        (resid 57 and name cb) (resid 57 and name cg1)  1.0 180.0 60.0 2 
  !!   d58
 assign (resid 58 and name n ) (resid 58 and name ca) 
        (resid 58 and name cb) (resid 58 and name cg)  1.0 175.0 20.0 2
  !!   v59
 assign (resid 59 and name n ) (resid 59 and name ca) 
        (resid 59 and name cb) (resid 59 and name cg1)  1.0 -55.0 20.0 2
  !!   d60
 assign (resid 60 and name n ) (resid 60 and name ca) 
        (resid 60 and name cb) (resid 60 and name cg)  1.0 175.0 30.0 2
  !!   d61
 assign (resid 61 and name n ) (resid 61 and name ca) 
        (resid 61 and name cb) (resid 61 and name cg)  1.0 165.0 30.0 2
  !!   d64
 assign (resid 64 and name n ) (resid 64 and name ca) 
        (resid 64 and name cb) (resid 64 and name cg)  1.0 55.0 20.0 2
  !!   v65
 assign (resid 65 and name n ) (resid 65 and name ca) 
        (resid 65 and name cb) (resid 65 and name cg1)  1.0 180.0 45.0 2
  !!   e68
 assign (resid 68 and name n ) (resid 68 and name ca) 
        (resid 68 and name cb) (resid 68 and name cg)  1.0 180.0 40.0 2
  !!   c69
 assign (resid 69 and name n ) (resid 69 and name ca) 
        (resid 69 and name cb) (resid 69 and name sg)  1.0 -60.0 20.0 2
  !!   v71
 assign (resid 71 and name n ) (resid 71 and name ca) 
        (resid 71 and name cb) (resid 71 and name cg1)  1.0 180.0 45.0 2
  !!   k72
 assign (resid 72 and name n ) (resid 72 and name ca) 
        (resid 72 and name cb) (resid 72 and name cg)  1.0 -120.0 75.0 2
  !!   c73
 assign (resid 73 and name n ) (resid 73 and name ca) 
        (resid 73 and name cb) (resid 73 and name sg)  1.0 55.0 20.0 2
  !!   t74
 assign (resid 74 and name n ) (resid 74 and name ca) 
        (resid 74 and name cb) (resid 74 and name og1)  1.0 65.0 30.0 2
  !!   p75
 assign (resid 75 and name n ) (resid 75 and name ca) 
        (resid 75 and name cb) (resid 75 and name cg)  1.0 -30.0 45.0 2
  !!   t76
 assign (resid 76 and name n ) (resid 76 and name ca) 
        (resid 76 and name cb) (resid 76 and name og1)  1.0 -65.0 50.0 2
  !!   f77
 assign (resid 77 and name n ) (resid 77 and name ca) 
        (resid 77 and name cb) (resid 77 and name cg)  1.0 -50.0 25.0 2
  !!   f79
 assign (resid 79 and name n ) (resid 79 and name ca) 
        (resid 79 and name cb) (resid 79 and name cg)  1.0 -55.0 25.0 2
  !!   f80
 assign (resid 80 and name n ) (resid 80 and name ca) 
        (resid 80 and name cb) (resid 80 and name cg)  1.0 -60.0 25.0 2
  !!   k81
 assign (resid 81 and name n ) (resid 81 and name ca) 
        (resid 81 and name cb) (resid 81 and name cg)  1.0 180.0 40.0 2
  !!   k85
 assign (resid 85 and name n ) (resid 85 and name ca) 
        (resid 85 and name cb) (resid 85 and name cg)  1.0 180.0 40.0 2
  !!   v86
 assign (resid 86 and name n ) (resid 86 and name ca) 
        (resid 86 and name cb) (resid 86 and name cg1)  1.0 -55.0 30.0 2
  !!   f89
 assign (resid 89 and name n ) (resid 89 and name ca) 
        (resid 89 and name cb) (resid 89 and name cg)  1.0 60.0 30.0 2
  !!   s90
 assign (resid 90 and name n ) (resid 90 and name ca) 
        (resid 90 and name cb) (resid 90 and name og)  1.0 70.0 15.0 2
  !!   n93
 assign (resid 93 and name n ) (resid 93 and name ca) 
        (resid 93 and name cb) (resid 93 and name cg)  1.0 -165.0 30.0 2
  !!  k96
 assign (resid 96 and name n ) (resid 96 and name ca) 
        (resid 96 and name cb) (resid 96 and name cg)  1.0 165.0 20.0 2
  !!  l97
 assign (resid 97 and name n ) (resid 97 and name ca) 
        (resid 97 and name cb) (resid 97 and name cg)  1.0 -60.0 40.0 2
  !!  e98
 assign (resid 98 and name n ) (resid 98 and name ca) 
        (resid 98 and name cb) (resid 98 and name cg)  1.0 180.0 40.0 2
  !!  t100
 assign (resid 100 and name n ) (resid 100 and name ca) 
        (resid 100 and name cb) (resid 100 and name og1)  1.0 -60.0 25.0 2
  !!  i101 
 assign (resid 101 and name n ) (resid 101 and name ca) 
        (resid 101 and name cb) (resid 101 and name cg1)  1.0 -70.0 35.0 2
  !!  n102
 assign (resid 102 and name n ) (resid 102 and name ca) 
        (resid 102 and name cb) (resid 102 and name cg)  1.0 180.0 40.0 2
  !!  e103
 assign (resid 103 and name n ) (resid 103 and name ca) 
        (resid 103 and name cb) (resid 103 and name cg)  1.0 180.0 40.0 2
  !!  l104
 assign (resid 104 and name n ) (resid 104 and name ca) 
        (resid 104 and name cb) (resid 104 and name cg)   1.0 -60.0 40.0 2
  !!  v105
 assign (resid 105 and name n ) (resid 105 and name ca) 
        (resid 105 and name cb) (resid 105 and name cg1)  1.0 60.0 60.0 2


*REMARK
*REMARK    THE FOLLOWING IS A LIST OF ALL HYDROGEN ATOMS WITH THEIR 
*REMARK    NAMES IN THE ENTRY AND THE ORIGINAL DATA:
  Entry H atom name         Orig H atom name
  Start of MODEL           1
    1   1H    MET   1           HT2      MET   1  -7.078  -2.261   7.794
    2   2H    MET   1           HT1      MET   1  -8.212  -2.179   9.056
    3   3H    MET   1           HT3      MET   1  -7.794  -0.774   8.197
    4    HA   MET   1           HA       MET   1  -6.483  -0.438   9.984
    5   1HB   MET   1           HB2      MET   1  -6.505  -3.440  10.225
    6   2HB   MET   1           HB1      MET   1  -5.368  -2.462  11.145
    7   1HG   MET   1           HG2      MET   1  -7.083  -1.326  12.285
    8   2HG   MET   1           HG1      MET   1  -8.293  -1.793  11.121
    9   1HE   MET   1           HE2      MET   1  -6.223  -2.669  14.192
   10   2HE   MET   1           HE3      MET   1  -7.749  -1.840  14.500
   11   3HE   MET   1           HE1      MET   1  -7.495  -3.475  15.110
   12    H    VAL   2           HN       VAL   2  -4.718   0.498   9.180
   13    HA   VAL   2           HA       VAL   2  -3.155  -0.508   7.036
   14    HB   VAL   2           HB       VAL   2  -2.236   1.380   9.221
   15   1HG1  VAL   2          HG13      VAL   2  -1.329   0.876   6.367
   16   2HG1  VAL   2          HG12      VAL   2  -0.779   2.228   7.352
   17   3HG1  VAL   2          HG11      VAL   2  -0.399   0.578   7.833
   18   1HG2  VAL   2          HG23      VAL   2  -4.442   1.854   7.810
   19   2HG2  VAL   2          HG22      VAL   2  -3.265   3.130   8.073
   20   3HG2  VAL   2          HG21      VAL   2  -3.287   2.257   6.547
   21    H    LYS   3           HN       LYS   3  -1.212  -1.642   6.969
   22    HA   LYS   3           HA       LYS   3  -0.215  -2.754   9.552
   23   1HB   LYS   3           HB2      LYS   3  -1.808  -4.344   8.357
   24   2HB   LYS   3           HB1      LYS   3  -0.613  -4.437   7.070
   25   1HG   LYS   3           HG2      LYS   3   1.020  -5.418   8.513
   26   2HG   LYS   3           HG1      LYS   3   0.107  -5.004   9.959
   27   1HD   LYS   3           HD2      LYS   3  -1.685  -6.551   9.301
   28   2HD   LYS   3           HD1      LYS   3  -0.829  -6.936   7.813
   29   1HE   LYS   3           HE2      LYS   3   0.763  -8.210   8.898
   30   2HE   LYS   3           HE1      LYS   3   0.677  -7.251  10.370
   31   1HZ   LYS   3           HZ2      LYS   3  -1.583  -8.243  10.702
   32   2HZ   LYS   3           HZ3      LYS   3  -1.217  -9.327   9.446
   33   3HZ   LYS   3           HZ1      LYS   3  -0.278  -9.318  10.862
   34    H    GLN   4           HN       GLN   4   1.966  -2.996   9.667
   35    HA   GLN   4           HA       GLN   4   3.517  -1.958   7.356
   36   1HB   GLN   4           HB2      GLN   4   3.950  -0.852   9.471
   37   2HB   GLN   4           HB1      GLN   4   4.257  -2.396  10.258
   38   1HG   GLN   4           HG2      GLN   4   6.263  -2.751   8.990
   39   2HG   GLN   4           HG1      GLN   4   5.872  -1.443   7.877
   40   1HE2  GLN   4          HE22      GLN   4   6.544   1.065  10.512
   41   2HE2  GLN   4          HE21      GLN   4   5.265   0.687   9.462
   42    H    ILE   5           HN       ILE   5   4.893  -3.197   6.215
   43    HA   ILE   5           HA       ILE   5   5.069  -6.066   6.950
   44    HB   ILE   5           HB       ILE   5   6.085  -4.776   4.402
   45   1HG1  ILE   5          HG12      ILE   5   3.624  -4.246   4.804
   46   2HG1  ILE   5          HG11      ILE   5   3.965  -5.130   3.331
   47   1HG2  ILE   5          HG21      ILE   5   5.748  -7.551   5.377
   48   2HG2  ILE   5          HG23      ILE   5   5.172  -7.271   3.740
   49   3HG2  ILE   5          HG22      ILE   5   6.841  -6.908   4.160
   50   1HD1  ILE   5           HD1      ILE   5   3.485  -6.948   5.578
   51   2HD1  ILE   5           HD3      ILE   5   2.125  -5.876   5.295
   52   3HD1  ILE   5           HD2      ILE   5   2.724  -6.903   3.999
   53    H    GLU   6           HN       GLU   6   7.260  -7.103   6.478
   54    HA   GLU   6           HA       GLU   6   9.523  -5.259   7.024
   55   1HB   GLU   6           HB2      GLU   6  10.308  -6.584   8.912
   56   2HB   GLU   6           HB1      GLU   6   8.666  -6.035   9.222
   57   1HG   GLU   6           HG2      GLU   6   7.863  -8.261   8.280
   58   2HG   GLU   6           HG1      GLU   6   9.544  -8.787   8.311
   59    H    SER   7           HN       SER   7   8.315  -8.211   5.724
   60    HA   SER   7           HA       SER   7  10.868  -8.599   4.310
   61   1HB   SER   7           HB2      SER   7  11.104 -10.955   5.010
   62   2HB   SER   7           HB1      SER   7  11.108  -9.906   6.441
   63    HG   SER   7           HG1      SER   7   9.590 -11.627   6.630
   64    H    LYS   8           HN       LYS   8  10.627 -10.662   2.869
   65    HA   LYS   8           HA       LYS   8   8.287 -10.235   1.219
   66   1HB   LYS   8           HB2      LYS   8  10.446 -10.817   0.222
   67   2HB   LYS   8           HB1      LYS   8  10.447 -12.346   1.092
   68   1HG   LYS   8           HG2      LYS   8   8.484 -13.107  -0.127
   69   2HG   LYS   8           HG1      LYS   8   8.301 -11.534  -0.899
   70   1HD   LYS   8           HD2      LYS   8  10.393 -11.800  -2.095
   71   2HD   LYS   8           HD1      LYS   8  10.786 -13.253  -1.188
   72   1HE   LYS   8           HE2      LYS   8   8.239 -13.736  -2.322
   73   2HE   LYS   8           HE1      LYS   8   9.192 -12.989  -3.594
   74   1HZ   LYS   8           HZ1      LYS   8  10.782 -14.866  -2.243
   75   2HZ   LYS   8           HZ2      LYS   8   9.318 -15.608  -2.678
   76   3HZ   LYS   8           HZ3      LYS   8  10.281 -14.870  -3.866
   77    H    THR   9           HN       THR   9   9.454 -12.957   3.115
   78    HA   THR   9           HA       THR   9   7.412 -14.784   2.713
   79    HB   THR   9           HB       THR   9   8.751 -14.211   5.385
   80    HG1  THR   9           HG1      THR   9  10.156 -14.544   3.597
   81   1HG2  THR   9          HG21      THR   9   6.707 -15.978   4.969
   82   2HG2  THR   9          HG23      THR   9   8.068 -16.951   4.424
   83   3HG2  THR   9          HG22      THR   9   8.042 -16.315   6.066
   84    H    ALA  10           HN       ALA  10   7.425 -11.947   4.698
   85    HA   ALA  10           HA       ALA  10   4.860 -12.440   5.914
   86   1HB   ALA  10           HB1      ALA  10   6.611 -10.965   6.913
   87   2HB   ALA  10           HB3      ALA  10   6.324  -9.814   5.612
   88   3HB   ALA  10           HB2      ALA  10   5.045 -10.174   6.768
   89    H    PHE  11           HN       PHE  11   5.971 -10.166   3.422
   90    HA   PHE  11           HA       PHE  11   3.588  -8.972   2.675
   91   1HB   PHE  11           HB2      PHE  11   5.793  -8.521   1.613
   92   2HB   PHE  11           HB1      PHE  11   5.670 -10.053   0.754
   93    HD1  PHE  11           HD1      PHE  11   3.592  -6.977   1.357
   94    HD2  PHE  11           HD2      PHE  11   4.783  -9.991  -1.414
   95    HE1  PHE  11           HE1      PHE  11   2.270  -5.889  -0.404
   96    HE2  PHE  11           HE2      PHE  11   3.458  -8.895  -3.168
   97    HZ   PHE  11           HZ       PHE  11   2.208  -6.841  -2.669
   98    H    GLN  12           HN       GLN  12   4.533 -12.277   2.235
   99    HA   GLN  12           HA       GLN  12   2.469 -12.912   0.285
  100   1HB   GLN  12           HB2      GLN  12   4.326 -14.550   1.986
  101   2HB   GLN  12           HB1      GLN  12   3.060 -15.313   1.031
  102   1HG   GLN  12           HG2      GLN  12   4.680 -13.288  -0.410
  103   2HG   GLN  12           HG1      GLN  12   5.544 -14.752   0.054
  104   1HE2  GLN  12          HE22      GLN  12   2.413 -15.047  -2.597
  105   2HE2  GLN  12          HE21      GLN  12   2.491 -13.717  -1.546
  106    H    GLU  13           HN       GLU  13   2.896 -13.712   3.688
  107    HA   GLU  13           HA       GLU  13   0.383 -14.937   4.104
  108   1HB   GLU  13           HB2      GLU  13   1.897 -13.272   6.126
  109   2HB   GLU  13           HB1      GLU  13   0.749 -14.561   6.466
  110   1HG   GLU  13           HG2      GLU  13   2.419 -15.949   4.895
  111   2HG   GLU  13           HG1      GLU  13   3.565 -14.744   5.476
  112    H    ALA  14           HN       ALA  14   1.308 -11.528   4.369
  113    HA   ALA  14           HA       ALA  14  -1.093 -10.502   5.428
  114   1HB   ALA  14           HB1      ALA  14   0.967  -9.365   3.553
  115   2HB   ALA  14           HB3      ALA  14  -0.466  -8.431   3.970
  116   3HB   ALA  14           HB2      ALA  14   0.651  -8.940   5.232
  117    H    LEU  15           HN       LEU  15  -0.243 -11.194   2.066
  118    HA   LEU  15           HA       LEU  15  -2.814 -10.312   1.042
  119   1HB   LEU  15           HB2      LEU  15  -0.725 -12.098  -0.234
  120   2HB   LEU  15           HB1      LEU  15  -2.054 -11.311  -1.078
  121    HG   LEU  15           HG       LEU  15   0.103  -9.844   0.479
  122   1HD1  LEU  15          HD13      LEU  15   0.995 -10.969  -1.546
  123   2HD1  LEU  15          HD12      LEU  15  -0.252 -10.192  -2.515
  124   3HD1  LEU  15          HD11      LEU  15   0.991  -9.219  -1.735
  125   1HD2  LEU  15          HD21      LEU  15  -2.404  -9.035  -0.868
  126   2HD2  LEU  15          HD23      LEU  15  -1.497  -8.223   0.403
  127   3HD2  LEU  15          HD22      LEU  15  -0.998  -8.062  -1.277
  128    H    ASP  16           HN       ASP  16  -1.723 -13.068   2.644
  129    HA   ASP  16           HA       ASP  16  -3.831 -14.804   1.502
  130   1HB   ASP  16           HB2      ASP  16  -1.415 -15.573   2.039
  131   2HB   ASP  16           HB1      ASP  16  -1.951 -15.586   3.717
  132    H    ALA  17           HN       ALA  17  -3.127 -12.891   4.261
  133    HA   ALA  17           HA       ALA  17  -5.400 -14.070   5.780
  134   1HB   ALA  17           HB1      ALA  17  -3.168 -12.177   6.526
  135   2HB   ALA  17           HB3      ALA  17  -4.550 -12.453   7.582
  136   3HB   ALA  17           HB2      ALA  17  -3.483 -13.789   7.162
  137    H    ALA  18           HN       ALA  18  -4.904 -11.759   3.513
  138    HA   ALA  18           HA       ALA  18  -6.710  -9.727   4.666
  139   1HB   ALA  18           HB1      ALA  18  -5.011  -9.934   2.206
  140   2HB   ALA  18           HB3      ALA  18  -6.335  -8.776   2.232
  141   3HB   ALA  18           HB2      ALA  18  -5.048  -8.668   3.428
  142    H    GLY  19           HN       GLY  19  -7.202 -12.646   3.387
  143   1HA   GLY  19           HA2      GLY  19  -9.106 -13.666   2.460
  144   2HA   GLY  19           HA1      GLY  19  -9.961 -12.154   2.753
  145    H    ASP  20           HN       ASP  20 -10.723 -11.243   0.969
  146    HA   ASP  20           HA       ASP  20  -9.108 -11.411  -1.540
  147   1HB   ASP  20           HB2      ASP  20 -11.948 -11.351  -2.095
  148   2HB   ASP  20           HB1      ASP  20 -10.741 -12.516  -2.629
  149    H    LYS  21           HN       LYS  21 -11.132  -9.596   0.572
  150    HA   LYS  21           HA       LYS  21 -12.093  -7.499  -0.967
  151   1HB   LYS  21           HB2      LYS  21 -10.691  -7.273   1.709
  152   2HB   LYS  21           HB1      LYS  21 -11.730  -6.040   1.004
  153   1HG   LYS  21           HG2      LYS  21 -13.618  -7.149   1.596
  154   2HG   LYS  21           HG1      LYS  21 -12.992  -8.684   1.005
  155   1HD   LYS  21           HD2      LYS  21 -11.636  -8.913   3.077
  156   2HD   LYS  21           HD1      LYS  21 -12.306  -7.397   3.670
  157   1HE   LYS  21           HE2      LYS  21 -14.616  -8.605   3.144
  158   2HE   LYS  21           HE1      LYS  21 -13.642 -10.058   3.325
  159   1HZ   LYS  21           HZ2      LYS  21 -12.857  -8.710   5.457
  160   2HZ   LYS  21           HZ1      LYS  21 -14.433  -8.094   5.312
  161   3HZ   LYS  21           HZ3      LYS  21 -14.186  -9.767   5.468
  162    H    LEU  22           HN       LEU  22 -11.205  -5.348  -1.417
  163    HA   LEU  22           HA       LEU  22  -8.860  -5.397  -2.926
  164   1HB   LEU  22           HB2      LEU  22 -10.660  -3.398  -1.863
  165   2HB   LEU  22           HB1      LEU  22  -9.015  -2.793  -1.850
  166    HG   LEU  22           HG       LEU  22  -9.780  -4.164  -4.387
  167   1HD1  LEU  22          HD12      LEU  22 -11.389  -1.918  -3.319
  168   2HD1  LEU  22          HD11      LEU  22 -10.815  -1.748  -4.965
  169   3HD1  LEU  22          HD13      LEU  22 -11.775  -3.147  -4.519
  170   1HD2  LEU  22          HD22      LEU  22  -7.663  -2.786  -3.755
  171   2HD2  LEU  22          HD21      LEU  22  -8.399  -2.536  -5.333
  172   3HD2  LEU  22          HD23      LEU  22  -8.693  -1.384  -4.034
  173    H    VAL  23           HN       VAL  23  -6.746  -4.936  -2.610
  174    HA   VAL  23           HA       VAL  23  -5.841  -4.582   0.209
  175    HB   VAL  23           HB       VAL  23  -4.435  -6.405  -1.749
  176   1HG1  VAL  23          HG11      VAL  23  -4.521  -6.173   1.269
  177   2HG1  VAL  23          HG13      VAL  23  -3.707  -7.474   0.411
  178   3HG1  VAL  23          HG12      VAL  23  -3.159  -5.819   0.211
  179   1HG2  VAL  23          HG21      VAL  23  -6.788  -7.023   0.052
  180   2HG2  VAL  23          HG23      VAL  23  -6.627  -7.356  -1.669
  181   3HG2  VAL  23          HG22      VAL  23  -5.683  -8.276  -0.504
  182    H    VAL  24           HN       VAL  24  -5.341  -2.414  -0.193
  183    HA   VAL  24           HA       VAL  24  -3.570  -1.807  -2.501
  184    HB   VAL  24           HB       VAL  24  -4.850   0.030  -0.463
  185   1HG1  VAL  24          HG11      VAL  24  -3.309   0.525  -3.027
  186   2HG1  VAL  24          HG13      VAL  24  -4.269   1.758  -2.214
  187   3HG1  VAL  24          HG12      VAL  24  -2.871   1.057  -1.407
  188   1HG2  VAL  24          HG23      VAL  24  -6.461  -1.174  -1.943
  189   2HG2  VAL  24          HG22      VAL  24  -6.416   0.553  -2.287
  190   3HG2  VAL  24          HG21      VAL  24  -5.584  -0.578  -3.350
  191    H    VAL  25           HN       VAL  25  -1.478  -1.134  -2.314
  192    HA   VAL  25           HA       VAL  25  -0.290  -1.261   0.429
  193    HB   VAL  25           HB       VAL  25   1.008  -1.910  -2.219
  194   1HG1  VAL  25          HG12      VAL  25   1.959  -1.931   0.651
  195   2HG1  VAL  25          HG11      VAL  25   2.748  -2.888  -0.598
  196   3HG1  VAL  25          HG13      VAL  25   2.701  -1.133  -0.732
  197   1HG2  VAL  25          HG23      VAL  25  -0.770  -3.519  -1.299
  198   2HG2  VAL  25          HG22      VAL  25   0.823  -4.204  -1.604
  199   3HG2  VAL  25          HG21      VAL  25   0.338  -3.803   0.037
  200    H    ASP  26           HN       ASP  26   1.204   0.252   1.048
  201    HA   ASP  26           HA       ASP  26   1.490   2.613  -0.785
  202   1HB   ASP  26           HB2      ASP  26   0.222   3.105   1.266
  203   2HB   ASP  26           HB1      ASP  26   1.553   2.506   2.247
  204    H    PHE  27           HN       PHE  27   3.369   1.806  -1.762
  205    HA   PHE  27           HA       PHE  27   5.692   1.018  -0.179
  206   1HB   PHE  27           HB2      PHE  27   5.206   1.559  -3.102
  207   2HB   PHE  27           HB1      PHE  27   6.813   1.194  -2.482
  208    HD1  PHE  27           HD1      PHE  27   7.212  -0.997  -1.325
  209    HD2  PHE  27           HD2      PHE  27   3.498  -0.167  -3.264
  210    HE1  PHE  27           HE1      PHE  27   6.684  -3.391  -1.341
  211    HE2  PHE  27           HE2      PHE  27   2.991  -2.580  -3.257
  212    HZ   PHE  27           HZ       PHE  27   4.570  -4.180  -2.293
  213    H    SER  28           HN       SER  28   6.238   2.718   1.159
  214    HA   SER  28           HA       SER  28   7.505   5.025  -0.220
  215   1HB   SER  28           HB2      SER  28   6.131   6.619   0.666
  216   2HB   SER  28           HB1      SER  28   4.996   5.285   0.954
  217    HG   SER  28           HG1      SER  28   5.581   6.418   2.891
  218    H    ALA  29           HN       ALA  29   8.536   6.456   1.667
  219    HA   ALA  29           HA       ALA  29  10.138   4.540   3.294
  220   1HB   ALA  29           HB2      ALA  29  10.650   7.152   2.016
  221   2HB   ALA  29           HB1      ALA  29  11.365   6.956   3.613
  222   3HB   ALA  29           HB3      ALA  29  11.757   5.818   2.328
  223    H    THR  30           HN       THR  30   9.957   4.481   5.461
  224    HA   THR  30           HA       THR  30   7.992   6.257   6.743
  225    HB   THR  30           HB       THR  30   8.177   3.729   7.223
  226    HG1  THR  30           HG1      THR  30   8.513   4.980   9.631
  227   1HG2  THR  30          HG22      THR  30  10.806   4.115   7.629
  228   2HG2  THR  30          HG21      THR  30  10.244   4.546   9.241
  229   3HG2  THR  30          HG23      THR  30   9.909   2.944   8.591
  230    CH2  TRP  31           CH2      TRP  31  15.199   8.973   3.154
  231    H    TRP  31           HN       TRP  31  11.430   5.754   6.670
  232    HA   TRP  31           HA       TRP  31  12.081   7.380   8.966
  233   1HB   TRP  31           HB2      TRP  31  14.369   7.371   7.947
  234   2HB   TRP  31           HB1      TRP  31  13.670   5.763   8.070
  235    HD1  TRP  31           HD1      TRP  31  12.715   4.639   5.813
  236    HE1  TRP  31           HE1      TRP  31  13.295   5.167   3.400
  237    HE3  TRP  31           HE3      TRP  31  14.880   9.051   6.499
  238    HZ2  TRP  31           HZ2      TRP  31  14.537   7.391   1.892
  239    HZ3  TRP  31           HZ3      TRP  31  15.743  10.398   4.643
  240    HH2  TRP  31           HH2      TRP  31  15.575   9.571   2.337
  241    H    CYS  32           HN       CYS  32  12.052   7.992   5.473
  242    HA   CYS  32           HA       CYS  32  12.950  10.656   5.485
  243   1HB   CYS  32           HB2      CYS  32  12.658   9.472   3.431
  244   2HB   CYS  32           HB1      CYS  32  10.958   9.261   3.726
  245    HG   CYS  32           HG1      CYS  32  12.156  11.540   2.241
  246    H    GLY  33           HN       GLY  33  11.645  12.628   5.130
  247   1HA   GLY  33           HA2      GLY  33   9.395  12.697   7.069
  248   2HA   GLY  33           HA1      GLY  33  10.285  14.103   6.489
  249    HA   PRO  34           HA       PRO  34   7.462  15.205   3.354
  250   1HB   PRO  34           HB2      PRO  34   9.044  14.314   1.066
  251   2HB   PRO  34           HB1      PRO  34   8.592  15.953   1.539
  252   1HG   PRO  34           HG2      PRO  34  11.169  14.745   1.842
  253   2HG   PRO  34           HG1      PRO  34  10.658  16.302   2.496
  254   1HD   PRO  34           HD1      PRO  34  11.181  13.861   3.947
  255   2HD   PRO  34           HD2      PRO  34  10.683  15.422   4.610
  256    H    CYS  35           HN       CYS  35   8.929  12.036   2.996
  257    HA   CYS  35           HA       CYS  35   6.798  10.985   1.327
  258   1HB   CYS  35           HB2      CYS  35   8.738   9.510   3.099
  259   2HB   CYS  35           HB1      CYS  35   7.752   8.793   1.857
  260    HG   CYS  35           HG1      CYS  35   9.641  10.808   0.649
  261    H    LYS  36           HN       LYS  36   7.478  11.108   4.780
  262    HA   LYS  36           HA       LYS  36   5.044   9.574   5.369
  263   1HB   LYS  36           HB2      LYS  36   7.136   9.276   6.731
  264   2HB   LYS  36           HB1      LYS  36   6.954  10.932   7.295
  265   1HG   LYS  36           HG2      LYS  36   5.017  10.435   8.537
  266   2HG   LYS  36           HG1      LYS  36   4.635   9.050   7.542
  267   1HD   LYS  36           HD2      LYS  36   5.382   8.239   9.691
  268   2HD   LYS  36           HD1      LYS  36   6.619   7.859   8.503
  269   1HE   LYS  36           HE2      LYS  36   8.137   9.071   9.663
  270   2HE   LYS  36           HE1      LYS  36   7.115  10.496   9.559
  271   1HZ   LYS  36           HZ1      LYS  36   5.843   9.593  11.464
  272   2HZ   LYS  36           HZ3      LYS  36   7.021   8.380  11.623
  273   3HZ   LYS  36           HZ2      LYS  36   7.448  10.011  11.829
  274    H    MET  37           HN       MET  37   5.536  12.610   4.402
  275    HA   MET  37           HA       MET  37   3.888  14.016   6.375
  276   1HB   MET  37           HB2      MET  37   5.703  15.035   4.846
  277   2HB   MET  37           HB1      MET  37   4.481  14.988   3.583
  278   1HG   MET  37           HG2      MET  37   2.952  16.253   5.072
  279   2HG   MET  37           HG1      MET  37   4.212  16.340   6.273
  280   1HE   MET  37           HE3      MET  37   2.906  18.625   6.063
  281   2HE   MET  37           HE2      MET  37   4.535  18.920   6.673
  282   3HE   MET  37           HE1      MET  37   3.853  19.973   5.434
  283    H    ILE  38           HN       ILE  38   3.432  12.065   3.641
  284    HA   ILE  38           HA       ILE  38   0.652  13.015   3.203
  285    HB   ILE  38           HB       ILE  38   2.196  10.839   1.766
  286   1HG1  ILE  38          HG12      ILE  38   3.234  13.172   1.629
  287   2HG1  ILE  38          HG11      ILE  38   2.819  12.434   0.094
  288   1HG2  ILE  38          HG21      ILE  38  -0.523  11.960   1.523
  289   2HG2  ILE  38          HG23      ILE  38   0.354  11.828   0.004
  290   3HG2  ILE  38          HG22      ILE  38   0.106  10.402   1.002
  291   1HD1  ILE  38           HD3      ILE  38   0.581  13.998   1.160
  292   2HD1  ILE  38           HD2      ILE  38   2.027  14.969   0.966
  293   3HD1  ILE  38           HD1      ILE  38   1.363  14.094  -0.406
  294    H    LYS  39           HN       LYS  39   2.002  11.197   5.397
  295    HA   LYS  39           HA       LYS  39   0.620   8.694   5.260
  296   1HB   LYS  39           HB2      LYS  39   2.544   9.822   6.923
  297   2HB   LYS  39           HB1      LYS  39   1.179   9.562   7.984
  298   1HG   LYS  39           HG2      LYS  39   1.119   7.174   6.829
  299   2HG   LYS  39           HG1      LYS  39   2.797   7.544   6.447
  300   1HD   LYS  39           HD2      LYS  39   3.216   7.977   8.859
  301   2HD   LYS  39           HD1      LYS  39   1.558   7.612   9.209
  302   1HE   LYS  39           HE2      LYS  39   1.829   5.329   8.764
  303   2HE   LYS  39           HE1      LYS  39   3.195   5.605   7.695
  304   1HZ   LYS  39           HZ3      LYS  39   3.217   5.932  10.642
  305   2HZ   LYS  39           HZ2      LYS  39   3.891   4.633   9.781
  306   3HZ   LYS  39           HZ1      LYS  39   4.537   6.194   9.606
  307    HA   PRO  40           HA       PRO  40  -2.435  10.777   8.387
  308   1HB   PRO  40           HB2      PRO  40  -2.685  13.539   7.558
  309   2HB   PRO  40           HB1      PRO  40  -2.270  12.901   9.150
  310   1HG   PRO  40           HG2      PRO  40  -0.490  14.210   7.353
  311   2HG   PRO  40           HG1      PRO  40  -0.031  13.334   8.814
  312   1HD   PRO  40           HD1      PRO  40   0.264  12.534   6.013
  313   2HD   PRO  40           HD2      PRO  40   1.014  11.812   7.445
  314    H    PHE  41           HN       PHE  41  -1.995  10.797   5.143
  315    HA   PHE  41           HA       PHE  41  -4.858  11.361   4.519
  316   1HB   PHE  41           HB2      PHE  41  -2.373  11.264   2.803
  317   2HB   PHE  41           HB1      PHE  41  -3.995  11.336   2.121
  318    HD1  PHE  41           HD1      PHE  41  -5.294  13.376   2.223
  319    HD2  PHE  41           HD2      PHE  41  -1.556  13.136   4.256
  320    HE1  PHE  41           HE1      PHE  41  -5.340  15.802   2.603
  321    HE2  PHE  41           HE2      PHE  41  -1.610  15.562   4.632
  322    HZ   PHE  41           HZ       PHE  41  -3.500  16.895   3.807
  323    H    PHE  42           HN       PHE  42  -2.272   9.010   3.840
  324    HA   PHE  42           HA       PHE  42  -4.219   7.035   2.843
  325   1HB   PHE  42           HB2      PHE  42  -2.004   7.157   1.793
  326   2HB   PHE  42           HB1      PHE  42  -1.233   6.831   3.342
  327    HD1  PHE  42           HD1      PHE  42  -3.677   5.372   0.925
  328    HD2  PHE  42           HD2      PHE  42  -0.849   4.571   4.010
  329    HE1  PHE  42           HE1      PHE  42  -3.902   2.971   0.507
  330    HE2  PHE  42           HE2      PHE  42  -1.109   2.164   3.611
  331    HZ   PHE  42           HZ       PHE  42  -2.629   1.362   1.858
  332    H    HIS  43           HN       HIS  43  -2.597   7.810   5.775
  333    HA   HIS  43           HA       HIS  43  -3.069   5.191   7.007
  334   1HB   HIS  43           HB2      HIS  43  -1.080   6.743   7.493
  335   2HB   HIS  43           HB1      HIS  43  -2.209   7.713   8.431
  336    HD1  HIS  43           HD1      HIS  43  -3.554   4.773   9.147
  337    HD2  HIS  43           HD2      HIS  43   0.137   6.178  10.119
  338    HE1  HIS  43           HE1      HIS  43  -2.874   3.464  11.073
  339    H    SER  44           HN       SER  44  -4.840   8.032   6.511
  340    HA   SER  44           HA       SER  44  -6.462   7.801   8.950
  341   1HB   SER  44           HB2      SER  44  -5.925   9.951   7.471
  342   2HB   SER  44           HB1      SER  44  -7.397   9.434   6.631
  343    HG   SER  44           HG1      SER  44  -7.184  10.597   9.010
  344    H    LEU  45           HN       LEU  45  -6.468   6.547   5.778
  345    HA   LEU  45           HA       LEU  45  -9.287   6.007   5.530
  346   1HB   LEU  45           HB2      LEU  45  -7.032   4.397   4.313
  347   2HB   LEU  45           HB1      LEU  45  -8.675   4.556   3.705
  348    HG   LEU  45           HG       LEU  45  -6.669   6.831   3.943
  349   1HD1  LEU  45          HD11      LEU  45  -6.261   5.040   2.156
  350   2HD1  LEU  45          HD13      LEU  45  -7.778   5.558   1.429
  351   3HD1  LEU  45          HD12      LEU  45  -6.435   6.689   1.563
  352   1HD2  LEU  45          HD22      LEU  45  -9.575   6.666   3.301
  353   2HD2  LEU  45          HD21      LEU  45  -8.657   7.994   4.003
  354   3HD2  LEU  45          HD23      LEU  45  -8.609   7.710   2.266
  355    H    SER  46           HN       SER  46  -6.951   4.826   7.588
  356    HA   SER  46           HA       SER  46  -7.505   2.072   7.841
  357   1HB   SER  46           HB2      SER  46  -5.703   3.380   9.064
  358   2HB   SER  46           HB1      SER  46  -6.970   3.928  10.178
  359    HG   SER  46           HG1      SER  46  -6.282   2.034  11.027
  360    H    GLU  47           HN       GLU  47  -9.127   4.839   9.340
  361    HA   GLU  47           HA       GLU  47 -11.132   3.039  10.558
  362   1HB   GLU  47           HB2      GLU  47 -10.864   6.054  10.673
  363   2HB   GLU  47           HB1      GLU  47 -11.975   5.084  11.635
  364   1HG   GLU  47           HG2      GLU  47  -9.575   3.821  12.119
  365   2HG   GLU  47           HG1      GLU  47  -9.070   5.502  11.973
  366    H    LYS  48           HN       LYS  48 -10.887   5.478   8.031
  367    HA   LYS  48           HA       LYS  48 -13.652   5.794   7.481
  368   1HB   LYS  48           HB2      LYS  48 -11.603   7.052   6.515
  369   2HB   LYS  48           HB1      LYS  48 -11.609   5.786   5.291
  370   1HG   LYS  48           HG2      LYS  48 -13.089   7.220   4.286
  371   2HG   LYS  48           HG1      LYS  48 -14.236   6.369   5.297
  372   1HD   LYS  48           HD2      LYS  48 -13.868   8.125   7.065
  373   2HD   LYS  48           HD1      LYS  48 -12.865   9.005   5.919
  374   1HE   LYS  48           HE2      LYS  48 -15.294   8.326   4.580
  375   2HE   LYS  48           HE1      LYS  48 -15.726   9.008   6.142
  376   1HZ   LYS  48           HZ3      LYS  48 -13.646  10.522   5.019
  377   2HZ   LYS  48           HZ2      LYS  48 -14.883  10.354   3.868
  378   3HZ   LYS  48           HZ1      LYS  48 -15.229  11.005   5.398
  379    OH   TYR  49           OH       TYR  49 -14.277   5.514  -0.441
  380    H    TYR  49           HN       TYR  49 -11.459   3.931   5.396
  381    HA   TYR  49           HA       TYR  49 -13.730   2.264   4.543
  382   1HB   TYR  49           HB2      TYR  49 -10.858   2.531   3.687
  383   2HB   TYR  49           HB1      TYR  49 -11.835   1.172   3.139
  384    HD1  TYR  49           HD1      TYR  49 -11.212   4.735   2.798
  385    HD2  TYR  49           HD2      TYR  49 -13.955   1.625   1.853
  386    HE1  TYR  49           HE1      TYR  49 -12.251   6.167   1.101
  387    HE2  TYR  49           HE2      TYR  49 -14.994   3.057   0.156
  388    HH   TYR  49           HH       TYR  49 -13.943   6.406  -0.322
  389    H    SER  50           HN       SER  50 -14.254   0.972   6.291
  390    HA   SER  50           HA       SER  50 -12.148  -0.597   7.623
  391   1HB   SER  50           HB2      SER  50 -14.067  -1.474   8.992
  392   2HB   SER  50           HB1      SER  50 -14.000   0.300   8.984
  393    HG   SER  50           HG1      SER  50 -16.058  -0.935   8.335
  394    H    ASN  51           HN       ASN  51 -14.012  -0.901   4.869
  395    HA   ASN  51           HA       ASN  51 -14.146  -3.864   5.023
  396   1HB   ASN  51           HB2      ASN  51 -16.097  -2.474   4.178
  397   2HB   ASN  51           HB1      ASN  51 -15.108  -2.092   2.769
  398   1HD2  ASN  51          HD22      ASN  51 -16.977  -5.057   1.715
  399   2HD2  ASN  51          HD21      ASN  51 -17.240  -3.397   1.955
  400    H    VAL  52           HN       VAL  52 -11.876  -1.682   4.262
  401    HA   VAL  52           HA       VAL  52 -10.708  -3.403   2.102
  402    HB   VAL  52           HB       VAL  52 -10.247  -0.433   2.495
  403   1HG1  VAL  52          HG11      VAL  52  -9.360  -2.479   0.447
  404   2HG1  VAL  52          HG13      VAL  52  -9.364  -0.756   0.089
  405   3HG1  VAL  52          HG12      VAL  52  -8.359  -1.382   1.391
  406   1HG2  VAL  52          HG22      VAL  52 -12.593  -1.068   1.755
  407   2HG2  VAL  52          HG21      VAL  52 -11.706  -0.077   0.604
  408   3HG2  VAL  52          HG23      VAL  52 -11.868  -1.808   0.332
  409    H    ILE  53           HN       ILE  53  -8.482  -3.844   2.242
  410    HA   ILE  53           HA       ILE  53  -7.328  -3.319   4.951
  411    HB   ILE  53           HB       ILE  53  -6.706  -5.459   2.892
  412   1HG1  ILE  53          HG12      ILE  53  -7.388  -6.564   5.401
  413   2HG1  ILE  53          HG11      ILE  53  -8.532  -5.254   5.166
  414   1HG2  ILE  53          HG23      ILE  53  -5.431  -4.851   5.582
  415   2HG2  ILE  53          HG22      ILE  53  -5.197  -6.362   4.707
  416   3HG2  ILE  53          HG21      ILE  53  -4.634  -4.850   4.013
  417   1HD1  ILE  53           HD3      ILE  53  -8.925  -6.184   2.818
  418   2HD1  ILE  53           HD2      ILE  53  -8.025  -7.605   3.337
  419   3HD1  ILE  53           HD1      ILE  53  -9.524  -7.171   4.147
  420    H    PHE  54           HN       PHE  54  -5.549  -2.163   5.186
  421    HA   PHE  54           HA       PHE  54  -4.175  -1.200   2.710
  422   1HB   PHE  54           HB2      PHE  54  -4.585   0.209   5.355
  423   2HB   PHE  54           HB1      PHE  54  -3.724   0.874   3.974
  424    HD1  PHE  54           HD1      PHE  54  -7.005  -0.026   5.339
  425    HD2  PHE  54           HD2      PHE  54  -4.969   1.456   1.910
  426    HE1  PHE  54           HE1      PHE  54  -9.148   0.711   4.378
  427    HE2  PHE  54           HE2      PHE  54  -7.105   2.202   0.960
  428    HZ   PHE  54           HZ       PHE  54  -9.195   1.829   2.192
  429    H    LEU  55           HN       LEU  55  -1.971  -1.161   2.672
  430    HA   LEU  55           HA       LEU  55  -0.536  -2.286   5.028
  431   1HB   LEU  55           HB2      LEU  55   0.080  -2.775   2.114
  432   2HB   LEU  55           HB1      LEU  55   0.922  -3.474   3.472
  433    HG   LEU  55           HG       LEU  55  -1.479  -4.361   4.144
  434   1HD1  LEU  55          HD11      LEU  55  -2.601  -3.126   2.205
  435   2HD1  LEU  55          HD13      LEU  55  -1.749  -4.197   1.123
  436   3HD1  LEU  55          HD12      LEU  55  -2.918  -4.831   2.271
  437   1HD2  LEU  55          HD22      LEU  55   0.424  -5.354   2.047
  438   2HD2  LEU  55          HD21      LEU  55   0.155  -5.963   3.676
  439   3HD2  LEU  55          HD23      LEU  55  -1.029  -6.280   2.414
  440    H    GLU  56           HN       GLU  56   1.824  -1.795   4.913
  441    HA   GLU  56           HA       GLU  56   2.492   0.709   3.474
  442   1HB   GLU  56           HB2      GLU  56   1.487   1.174   5.823
  443   2HB   GLU  56           HB1      GLU  56   3.009   0.540   6.437
  444   1HG   GLU  56           HG2      GLU  56   4.108   2.198   4.738
  445   2HG   GLU  56           HG1      GLU  56   2.535   2.991   4.746
  446    H    VAL  57           HN       VAL  57   4.271  -0.011   2.411
  447    HA   VAL  57           HA       VAL  57   6.170  -1.795   3.851
  448    HB   VAL  57           HB       VAL  57   6.069  -1.005   0.931
  449   1HG1  VAL  57          HG12      VAL  57   7.781  -2.958   2.501
  450   2HG1  VAL  57          HG11      VAL  57   7.648  -2.990   0.747
  451   3HG1  VAL  57          HG13      VAL  57   8.337  -1.585   1.550
  452   1HG2  VAL  57          HG21      VAL  57   4.333  -2.651   2.265
  453   2HG2  VAL  57          HG23      VAL  57   4.760  -2.836   0.568
  454   3HG2  VAL  57          HG22      VAL  57   5.588  -3.791   1.791
  455    H    ASP  58           HN       ASP  58   8.203  -1.226   4.352
  456    HA   ASP  58           HA       ASP  58   8.949   1.621   3.930
  457   1HB   ASP  58           HB2      ASP  58   8.962   0.555   6.248
  458   2HB   ASP  58           HB1      ASP  58  10.336  -0.401   5.701
  459    H    VAL  59           HN       VAL  59  10.086   1.917   2.113
  460    HA   VAL  59           HA       VAL  59  11.585  -0.167   0.801
  461    HB   VAL  59           HB       VAL  59  12.387   1.663  -0.666
  462   1HG1  VAL  59          HG12      VAL  59   9.447   1.815   0.092
  463   2HG1  VAL  59          HG11      VAL  59  10.134   2.400  -1.420
  464   3HG1  VAL  59          HG13      VAL  59  10.156   0.678  -1.051
  465   1HG2  VAL  59          HG23      VAL  59  11.045   3.356   1.462
  466   2HG2  VAL  59          HG22      VAL  59  12.722   3.435   0.933
  467   3HG2  VAL  59          HG21      VAL  59  11.435   3.964  -0.141
  468    H    ASP  60           HN       ASP  60  12.313   0.804   3.662
  469    HA   ASP  60           HA       ASP  60  15.208   1.340   3.170
  470   1HB   ASP  60           HB2      ASP  60  13.863   2.929   4.622
  471   2HB   ASP  60           HB1      ASP  60  13.714   1.613   5.784
  472    H    ASP  61           HN       ASP  61  13.013  -0.623   5.154
  473    HA   ASP  61           HA       ASP  61  15.276  -2.510   5.679
  474   1HB   ASP  61           HB2      ASP  61  14.295  -1.668   7.723
  475   2HB   ASP  61           HB1      ASP  61  12.673  -2.056   7.155
  476    H    CYS  62           HN       CYS  62  12.638  -2.126   3.711
  477    HA   CYS  62           HA       CYS  62  12.331  -5.091   3.388
  478   1HB   CYS  62           HB2      CYS  62  10.121  -3.292   2.578
  479   2HB   CYS  62           HB1      CYS  62  10.059  -4.926   3.181
  480    HG   CYS  62           HG1      CYS  62  10.117  -4.042   5.587
  481    H    GLN  63           HN       GLN  63  14.251  -3.627   1.994
  482    HA   GLN  63           HA       GLN  63  13.404  -2.640  -0.524
  483   1HB   GLN  63           HB2      GLN  63  16.003  -4.113  -0.139
  484   2HB   GLN  63           HB1      GLN  63  15.668  -2.763  -1.213
  485   1HG   GLN  63           HG2      GLN  63  15.390  -1.263   0.723
  486   2HG   GLN  63           HG1      GLN  63  15.672  -2.610   1.822
  487   1HE2  GLN  63          HE22      GLN  63  18.950  -0.949   1.417
  488   2HE2  GLN  63          HE21      GLN  63  17.449  -0.566   2.109
  489    H    ASP  64           HN       ASP  64  13.636  -5.818   0.706
  490    HA   ASP  64           HA       ASP  64  13.990  -7.263  -1.712
  491   1HB   ASP  64           HB2      ASP  64  12.751  -9.108  -0.351
  492   2HB   ASP  64           HB1      ASP  64  14.325  -8.553   0.210
  493    H    VAL  65           HN       VAL  65  11.133  -6.194  -0.026
  494    HA   VAL  65           HA       VAL  65   9.300  -7.345  -1.909
  495    HB   VAL  65           HB       VAL  65   8.703  -5.081  -0.074
  496   1HG1  VAL  65          HG13      VAL  65   7.093  -7.421  -1.129
  497   2HG1  VAL  65          HG12      VAL  65   6.491  -6.239   0.029
  498   3HG1  VAL  65          HG11      VAL  65   6.909  -5.736  -1.606
  499   1HG2  VAL  65          HG21      VAL  65   8.969  -8.027   0.568
  500   2HG2  VAL  65          HG23      VAL  65   9.905  -6.708   1.265
  501   3HG2  VAL  65          HG22      VAL  65   8.190  -6.860   1.633
  502    H    ALA  66           HN       ALA  66  10.548  -4.129  -1.356
  503    HA   ALA  66           HA       ALA  66   9.087  -2.806  -3.378
  504   1HB   ALA  66           HB2      ALA  66  10.589  -1.800  -1.532
  505   2HB   ALA  66           HB1      ALA  66  11.911  -2.070  -2.663
  506   3HB   ALA  66           HB3      ALA  66  10.582  -1.000  -3.101
  507    H    SER  67           HN       SER  67  12.323  -4.155  -3.445
  508    HA   SER  67           HA       SER  67  12.830  -3.703  -6.192
  509   1HB   SER  67           HB2      SER  67  14.444  -4.529  -4.291
  510   2HB   SER  67           HB1      SER  67  13.925  -6.141  -4.818
  511    HG   SER  67           HG1      SER  67  14.933  -4.054  -6.459
  512    H    GLU  68           HN       GLU  68  10.672  -5.772  -4.673
  513    HA   GLU  68           HA       GLU  68  10.618  -7.817  -6.720
  514   1HB   GLU  68           HB2      GLU  68   9.884  -7.921  -4.175
  515   2HB   GLU  68           HB1      GLU  68   8.342  -7.397  -4.838
  516   1HG   GLU  68           HG2      GLU  68   8.874  -9.352  -6.591
  517   2HG   GLU  68           HG1      GLU  68   9.793  -9.979  -5.230
  518    H    CYS  69           HN       CYS  69   8.933  -4.905  -5.953
  519    HA   CYS  69           HA       CYS  69   6.998  -5.309  -8.152
  520   1HB   CYS  69           HB2      CYS  69   7.329  -3.122  -6.107
  521   2HB   CYS  69           HB1      CYS  69   6.099  -3.112  -7.341
  522    HG   CYS  69           HG1      CYS  69   5.893  -4.506  -4.701
  523    H    GLU  70           HN       GLU  70  10.078  -4.298  -7.873
  524    HA   GLU  70           HA       GLU  70  11.499  -3.028  -9.219
  525   1HB   GLU  70           HB2      GLU  70   9.432  -4.127 -10.922
  526   2HB   GLU  70           HB1      GLU  70   9.965  -2.583 -11.558
  527   1HG   GLU  70           HG2      GLU  70  12.330  -3.350 -11.382
  528   2HG   GLU  70           HG1      GLU  70  11.754  -4.919 -10.825
  529    H    VAL  71           HN       VAL  71  10.098  -1.538  -7.356
  530    HA   VAL  71           HA       VAL  71   8.917   0.802  -8.668
  531    HB   VAL  71           HB       VAL  71   9.899   1.042  -5.876
  532   1HG1  VAL  71          HG11      VAL  71   8.328   2.598  -7.304
  533   2HG1  VAL  71          HG13      VAL  71   7.089   1.427  -6.867
  534   3HG1  VAL  71          HG12      VAL  71   7.950   2.306  -5.610
  535   1HG2  VAL  71          HG22      VAL  71   7.780  -0.934  -6.766
  536   2HG2  VAL  71          HG21      VAL  71   9.213  -1.273  -5.803
  537   3HG2  VAL  71          HG23      VAL  71   7.895  -0.332  -5.116
  538    H    LYS  72           HN       LYS  72   9.829   2.913  -8.652
  539    HA   LYS  72           HA       LYS  72  12.731   3.102  -8.086
  540   1HB   LYS  72           HB2      LYS  72  11.725   2.696 -10.696
  541   2HB   LYS  72           HB1      LYS  72  12.200   4.389 -10.608
  542   1HG   LYS  72           HG2      LYS  72  14.414   3.732  -9.736
  543   2HG   LYS  72           HG1      LYS  72  13.941   2.038  -9.794
  544   1HD   LYS  72           HD2      LYS  72  13.624   2.200 -12.235
  545   2HD   LYS  72           HD1      LYS  72  14.068   3.902 -12.187
  546   1HE   LYS  72           HE2      LYS  72  16.120   2.517 -10.814
  547   2HE   LYS  72           HE1      LYS  72  15.795   1.585 -12.270
  548   1HZ   LYS  72           HZ3      LYS  72  15.952   4.469 -12.588
  549   2HZ   LYS  72           HZ2      LYS  72  17.406   3.673 -12.220
  550   3HZ   LYS  72           HZ1      LYS  72  16.519   3.228 -13.599
  551    H    CYS  73           HN       CYS  73  10.094   4.225  -7.136
  552    HA   CYS  73           HA       CYS  73  11.001   6.892  -6.602
  553   1HB   CYS  73           HB2      CYS  73   9.173   8.067  -7.899
  554   2HB   CYS  73           HB1      CYS  73  10.536   7.491  -8.821
  555    HG   CYS  73           HG1      CYS  73   8.844   6.511 -10.290
  556    H    THR  74           HN       THR  74  10.080   7.427  -4.755
  557    HA   THR  74           HA       THR  74   7.483   6.154  -4.047
  558    HB   THR  74           HB       THR  74   8.322   6.728  -1.635
  559    HG1  THR  74           HG1      THR  74  10.047   7.943  -1.780
  560   1HG2  THR  74          HG21      THR  74   9.686   4.808  -3.533
  561   2HG2  THR  74          HG23      THR  74  10.250   4.967  -1.875
  562   3HG2  THR  74          HG22      THR  74   8.607   4.426  -2.195
  563    HA   PRO  75           HA       PRO  75   6.123   6.476  -2.191
  564   1HB   PRO  75           HB2      PRO  75   3.459   7.313  -2.211
  565   2HB   PRO  75           HB1      PRO  75   4.583   7.487  -0.865
  566   1HG   PRO  75           HG2      PRO  75   3.514   9.580  -2.618
  567   2HG   PRO  75           HG1      PRO  75   4.469   9.768  -1.146
  568   1HD   PRO  75           HD1      PRO  75   5.356  10.059  -3.894
  569   2HD   PRO  75           HD2      PRO  75   6.304  10.290  -2.415
  570    H    THR  76           HN       THR  76   5.077   4.673  -3.074
  571    HA   THR  76           HA       THR  76   3.808   5.041  -5.756
  572    HB   THR  76           HB       THR  76   5.791   2.902  -4.908
  573    HG1  THR  76           HG1      THR  76   5.613   5.164  -6.498
  574   1HG2  THR  76          HG23      THR  76   3.619   2.821  -6.907
  575   2HG2  THR  76          HG22      THR  76   5.214   2.598  -7.614
  576   3HG2  THR  76          HG21      THR  76   4.654   1.511  -6.348
  577    H    PHE  77           HN       PHE  77   1.761   4.398  -5.749
  578    HA   PHE  77           HA       PHE  77   0.845   2.627  -3.541
  579   1HB   PHE  77           HB2      PHE  77  -0.568   4.453  -5.484
  580   2HB   PHE  77           HB1      PHE  77  -1.447   3.306  -4.474
  581    HD1  PHE  77           HD1      PHE  77  -0.732   3.316  -1.924
  582    HD2  PHE  77           HD2      PHE  77  -0.122   6.579  -4.595
  583    HE1  PHE  77           HE1      PHE  77  -0.589   4.867  -0.017
  584    HE2  PHE  77           HE2      PHE  77   0.039   8.115  -2.686
  585    HZ   PHE  77           HZ       PHE  77  -0.191   7.259  -0.396
  586    H    GLN  78           HN       GLN  78   0.169   0.602  -3.861
  587    HA   GLN  78           HA       GLN  78  -0.195  -0.333  -6.691
  588   1HB   GLN  78           HB2      GLN  78   1.474  -1.381  -4.507
  589   2HB   GLN  78           HB1      GLN  78   0.577  -2.590  -5.414
  590   1HG   GLN  78           HG2      GLN  78   1.550  -1.865  -7.495
  591   2HG   GLN  78           HG1      GLN  78   2.231  -0.424  -6.744
  592   1HE2  GLN  78          HE22      GLN  78   5.216  -2.105  -6.025
  593   2HE2  GLN  78          HE21      GLN  78   4.434  -0.663  -6.462
  594    H    PHE  79           HN       PHE  79  -1.689  -2.022  -7.024
  595    HA   PHE  79           HA       PHE  79  -3.715  -2.321  -4.831
  596   1HB   PHE  79           HB2      PHE  79  -4.065  -2.088  -7.830
  597   2HB   PHE  79           HB1      PHE  79  -5.351  -2.634  -6.767
  598    HD1  PHE  79           HD1      PHE  79  -6.846  -0.987  -6.029
  599    HD2  PHE  79           HD2      PHE  79  -2.854   0.187  -6.939
  600    HE1  PHE  79           HE1      PHE  79  -7.405   1.337  -5.501
  601    HE2  PHE  79           HE2      PHE  79  -3.425   2.512  -6.411
  602    HZ   PHE  79           HZ       PHE  79  -5.705   3.086  -5.705
  603    H    PHE  80           HN       PHE  80  -3.668  -4.373  -4.041
  604    HA   PHE  80           HA       PHE  80  -3.084  -6.590  -5.996
  605   1HB   PHE  80           HB2      PHE  80  -2.497  -6.318  -3.048
  606   2HB   PHE  80           HB1      PHE  80  -2.452  -7.872  -3.873
  607    HD1  PHE  80           HD1      PHE  80  -0.892  -8.126  -5.886
  608    HD2  PHE  80           HD2      PHE  80  -0.708  -4.773  -3.272
  609    HE1  PHE  80           HE1      PHE  80   1.362  -7.597  -6.713
  610    HE2  PHE  80           HE2      PHE  80   1.549  -4.260  -4.088
  611    HZ   PHE  80           HZ       PHE  80   2.590  -5.682  -5.795
  612    H    LYS  81           HN       LYS  81  -4.427  -8.350  -6.041
  613    HA   LYS  81           HA       LYS  81  -6.735  -8.401  -4.166
  614   1HB   LYS  81           HB2      LYS  81  -7.188  -7.222  -6.468
  615   2HB   LYS  81           HB1      LYS  81  -7.185  -8.861  -7.106
  616   1HG   LYS  81           HG2      LYS  81  -8.980  -9.513  -5.594
  617   2HG   LYS  81           HG1      LYS  81  -8.916  -7.955  -4.778
  618   1HD   LYS  81           HD2      LYS  81  -9.456  -6.867  -6.998
  619   2HD   LYS  81           HD1      LYS  81  -9.730  -8.478  -7.650
  620   1HE   LYS  81           HE2      LYS  81 -11.176  -8.435  -5.248
  621   2HE   LYS  81           HE1      LYS  81 -11.468  -6.857  -5.968
  622   1HZ   LYS  81           HZ1      LYS  81 -11.689  -9.321  -7.570
  623   2HZ   LYS  81           HZ3      LYS  81 -12.985  -8.773  -6.619
  624   3HZ   LYS  81           HZ2      LYS  81 -12.371  -7.794  -7.863
  625    H    LYS  82           HN       LYS  82  -7.048 -10.400  -3.404
  626    HA   LYS  82           HA       LYS  82  -6.813 -12.730  -3.161
  627   1HB   LYS  82           HB2      LYS  82  -7.522 -12.240  -5.952
  628   2HB   LYS  82           HB1      LYS  82  -6.560 -13.701  -5.769
  629   1HG   LYS  82           HG2      LYS  82  -8.098 -14.537  -4.061
  630   2HG   LYS  82           HG1      LYS  82  -9.025 -13.044  -4.131
  631   1HD   LYS  82           HD2      LYS  82  -9.374 -13.528  -6.615
  632   2HD   LYS  82           HD1      LYS  82  -8.712 -15.129  -6.305
  633   1HE   LYS  82           HE2      LYS  82 -10.588 -14.783  -4.267
  634   2HE   LYS  82           HE1      LYS  82 -11.362 -14.068  -5.676
  635   1HZ   LYS  82           HZ3      LYS  82 -10.163 -16.778  -5.592
  636   2HZ   LYS  82           HZ1      LYS  82 -11.822 -16.436  -5.465
  637   3HZ   LYS  82           HZ2      LYS  82 -10.990 -16.083  -6.902
  638    H    GLY  83           HN       GLY  83  -4.451 -10.798  -3.949
  639   1HA   GLY  83           HA2      GLY  83  -2.126 -11.296  -3.537
  640   2HA   GLY  83           HA1      GLY  83  -2.443 -12.982  -3.937
  641    H    GLN  84           HN       GLN  84  -3.816 -10.636  -6.011
  642    HA   GLN  84           HA       GLN  84  -1.608 -11.009  -7.989
  643   1HB   GLN  84           HB2      GLN  84  -4.483 -11.650  -8.210
  644   2HB   GLN  84           HB1      GLN  84  -3.839 -10.737  -9.565
  645   1HG   GLN  84           HG2      GLN  84  -1.968 -12.450  -9.722
  646   2HG   GLN  84           HG1      GLN  84  -2.829 -13.401  -8.514
  647   1HE2  GLN  84          HE22      GLN  84  -5.675 -13.836 -10.847
  648   2HE2  GLN  84          HE21      GLN  84  -5.456 -13.266  -9.263
  649    H    LYS  85           HN       LYS  85  -0.918  -9.208  -8.952
  650    HA   LYS  85           HA       LYS  85  -1.867  -6.646  -8.065
  651   1HB   LYS  85           HB2      LYS  85   0.480  -7.259  -8.860
  652   2HB   LYS  85           HB1      LYS  85  -0.159  -7.201 -10.494
  653   1HG   LYS  85           HG2      LYS  85  -0.604  -4.881 -10.382
  654   2HG   LYS  85           HG1      LYS  85  -0.562  -4.859  -8.627
  655   1HD   LYS  85           HD2      LYS  85   1.496  -3.865  -9.306
  656   2HD   LYS  85           HD1      LYS  85   1.926  -5.494  -8.816
  657   1HE   LYS  85           HE2      LYS  85   1.802  -6.211 -11.207
  658   2HE   LYS  85           HE1      LYS  85   1.443  -4.553 -11.665
  659   1HZ   LYS  85           HZ1      LYS  85   3.867  -5.278 -10.138
  660   2HZ   LYS  85           HZ3      LYS  85   3.826  -5.295 -11.836
  661   3HZ   LYS  85           HZ2      LYS  85   3.550  -3.846 -10.995
  662    H    VAL  86           HN       VAL  86  -3.264  -5.233  -9.022
  663    HA   VAL  86           HA       VAL  86  -4.374  -5.974 -11.697
  664    HB   VAL  86           HB       VAL  86  -6.613  -5.081 -10.679
  665   1HG1  VAL  86          HG11      VAL  86  -5.275  -7.738 -10.436
  666   2HG1  VAL  86          HG13      VAL  86  -6.775  -7.520  -9.539
  667   3HG1  VAL  86          HG12      VAL  86  -6.755  -7.305 -11.286
  668   1HG2  VAL  86          HG22      VAL  86  -5.501  -4.347  -8.543
  669   2HG2  VAL  86          HG21      VAL  86  -6.829  -5.472  -8.280
  670   3HG2  VAL  86          HG23      VAL  86  -5.166  -6.038  -8.184
  671    H    GLY  87           HN       GLY  87  -3.474  -3.512  -9.420
  672   1HA   GLY  87           HA2      GLY  87  -3.568  -1.529 -11.612
  673   2HA   GLY  87           HA1      GLY  87  -4.539  -1.158 -10.191
  674    H    GLU  88           HN       GLU  88  -2.217   0.289 -11.250
  675    HA   GLU  88           HA       GLU  88  -0.830   0.621  -8.724
  676   1HB   GLU  88           HB2      GLU  88   1.281  -0.243  -9.206
  677   2HB   GLU  88           HB1      GLU  88   0.230  -1.437  -9.950
  678   1HG   GLU  88           HG2      GLU  88   0.455  -0.091 -12.122
  679   2HG   GLU  88           HG1      GLU  88   1.752   0.798 -11.324
  680    H    PHE  89           HN       PHE  89  -0.466   2.704  -8.555
  681    HA   PHE  89           HA       PHE  89   0.569   4.219 -10.867
  682   1HB   PHE  89           HB2      PHE  89  -1.186   5.731 -10.954
  683   2HB   PHE  89           HB1      PHE  89  -2.043   4.253 -10.528
  684    HD1  PHE  89           HD1      PHE  89  -0.574   7.355  -9.085
  685    HD2  PHE  89           HD2      PHE  89  -3.158   4.028  -8.440
  686    HE1  PHE  89           HE1      PHE  89  -1.392   8.385  -7.010
  687    HE2  PHE  89           HE2      PHE  89  -3.970   5.064  -6.371
  688    HZ   PHE  89           HZ       PHE  89  -3.094   7.242  -5.654
  689    H    SER  90           HN       SER  90   2.050   5.717 -10.266
  690    HA   SER  90           HA       SER  90   2.483   6.071  -7.336
  691   1HB   SER  90           HB2      SER  90   4.805   6.358  -7.791
  692   2HB   SER  90           HB1      SER  90   4.307   5.065  -8.900
  693    HG   SER  90           HG1      SER  90   4.732   6.373 -10.476
  694    H    GLY  91           HN       GLY  91   3.561   8.179  -6.761
  695   1HA   GLY  91           HA2      GLY  91   3.833  10.577  -7.550
  696   2HA   GLY  91           HA1      GLY  91   2.227  10.413  -8.252
  697    H    ALA  92           HN       ALA  92   3.403  12.158  -6.059
  698    HA   ALA  92           HA       ALA  92   2.113  11.341  -3.599
  699   1HB   ALA  92           HB2      ALA  92   3.068  14.077  -4.487
  700   2HB   ALA  92           HB1      ALA  92   2.630  13.635  -2.840
  701   3HB   ALA  92           HB3      ALA  92   4.028  12.889  -3.609
  702    H    ASN  93           HN       ASN  93   0.040  10.839  -4.832
  703    HA   ASN  93           HA       ASN  93  -1.718  13.264  -4.820
  704   1HB   ASN  93           HB2      ASN  93  -1.166  12.066  -7.097
  705   2HB   ASN  93           HB1      ASN  93  -2.345  10.885  -6.532
  706   1HD2  ASN  93          HD22      ASN  93  -4.682  13.920  -6.200
  707   2HD2  ASN  93          HD21      ASN  93  -3.816  13.078  -5.009
  708    H    LYS  94           HN       LYS  94  -3.489  13.132  -3.581
  709    HA   LYS  94           HA       LYS  94  -4.047  10.525  -2.248
  710   1HB   LYS  94           HB2      LYS  94  -5.120  13.168  -1.291
  711   2HB   LYS  94           HB1      LYS  94  -4.859  11.692  -0.379
  712   1HG   LYS  94           HG2      LYS  94  -3.085  13.122   0.279
  713   2HG   LYS  94           HG1      LYS  94  -2.354  11.990  -0.844
  714   1HD   LYS  94           HD2      LYS  94  -1.788  13.653  -2.290
  715   2HD   LYS  94           HD1      LYS  94  -3.417  14.300  -2.284
  716   1HE   LYS  94           HE2      LYS  94  -1.680  14.841   0.111
  717   2HE   LYS  94           HE1      LYS  94  -1.391  15.740  -1.366
  718   1HZ   LYS  94           HZ2      LYS  94  -4.151  15.522  -0.446
  719   2HZ   LYS  94           HZ1      LYS  94  -3.109  16.558   0.407
  720   3HZ   LYS  94           HZ3      LYS  94  -3.367  16.793  -1.255
  721    H    GLU  95           HN       GLU  95  -5.752  13.402  -3.416
  722    HA   GLU  95           HA       GLU  95  -8.368  12.502  -3.346
  723   1HB   GLU  95           HB2      GLU  95  -6.865  14.335  -5.151
  724   2HB   GLU  95           HB1      GLU  95  -8.465  13.828  -5.675
  725   1HG   GLU  95           HG2      GLU  95  -9.402  14.583  -3.495
  726   2HG   GLU  95           HG1      GLU  95  -7.797  15.126  -3.010
  727    H    LYS  96           HN       LYS  96  -5.792  11.298  -5.224
  728    HA   LYS  96           HA       LYS  96  -7.488  10.083  -7.275
  729   1HB   LYS  96           HB2      LYS  96  -5.135  10.783  -7.718
  730   2HB   LYS  96           HB1      LYS  96  -4.581   9.534  -6.616
  731   1HG   LYS  96           HG2      LYS  96  -5.249   7.793  -8.037
  732   2HG   LYS  96           HG1      LYS  96  -6.436   8.783  -8.869
  733   1HD   LYS  96           HD2      LYS  96  -3.493   9.454  -9.050
  734   2HD   LYS  96           HD1      LYS  96  -4.178   8.213 -10.089
  735   1HE   LYS  96         ASN 102 -16.033   6.408  -6.400
  786    H    GLU 103           HN       GLU 103 -11.612   2.685  -7.725
  787    HA   GLU 103           HA       GLU 103 -12.868   1.988 -10.227
  788   1HB   GLU 103           HB2      GLU 103 -10.460   2.910  -9.791
  789   2HB   GLU 103           HB1      GLU 103 -10.041   1.228  -9.489
  790   1HG   GLU 103           HG2      GLU 103  -9.813   0.946 -11.717
  791   2HG   GLU 103           HG1      GLU 103 -11.544   1.201 -11.891
  792    H    LEU 104           HN       LEU 104 -10.990   0.041  -7.864
  793    HA   LEU 104           HA       LEU 104 -12.186  -2.398  -9.102
  794   1HB   LEU 104           HB2      LEU 104 -10.072  -2.540  -6.984
  795   2HB   LEU 104           HB1      LEU 104 -10.379  -3.635  -8.316
  796    HG   LEU 104           HG       LEU 104  -9.223  -0.824  -8.542
  797   1HD1  LEU 104          HD12      LEU 104  -8.061  -3.481  -8.181
  798   2HD1  LEU 104          HD11      LEU 104  -7.486  -2.721  -9.659
  799   3HD1  LEU 104          HD13      LEU 104  -7.280  -1.909  -8.115
  800   1HD2  LEU 104          HD23      LEU 104  -9.791  -2.939 -10.663
  801   2HD2  LEU 104          HD22      LEU 104 -10.621  -1.400 -10.507
  802   3HD2  LEU 104          HD21      LEU 104  -8.925  -1.433 -10.952
  803    H    VAL 105           HN       VAL 105 -13.126  -0.374  -6.743
  804    HA   VAL 105           HA       VAL 105 -13.580  -1.889  -4.408
  805    HB   VAL 105           HB       VAL 105 -14.216   0.507  -4.735
  806   1HG1  VAL 105          HG13      VAL 105 -15.414  -0.047  -6.952
  807   2HG1  VAL 105          HG12      VAL 105 -16.752  -0.603  -5.952
  808   3HG1  VAL 105          HG11      VAL 105 -16.233   1.078  -5.874
  809   1HG2  VAL 105          HG21      VAL 105 -16.389  -1.350  -3.715
  810   2HG2  VAL 105          HG23      VAL 105 -15.002  -0.789  -2.786
  811   3HG2  VAL 105          HG22      VAL 105 -16.234   0.356  -3.308
   
  No H/Q in entry =         811
       HN       THR 100  -9.110   6.688  -6.854
  763    HA   THR 100           HA       THR 100  -9.062   4.582  -8.736
  764    HB   THR 100           HB       THR 100  -7.247   4.729  -6.304
  765    HG1  THR 100           HG1      THR 100  -6.262   5.961  -8.391
  766   1HG2  THR 100          HG22      THR 100  -6.963   2.794  -7.920
  767   2HG2  THR 100          HG21      THR 100  -6.756   3.973  -9.211
  768   3HG2  THR 100          HG23      THR 100  -5.581   3.886  -7.903
  769    H    ILE 101           HN       ILE 101  -9.429   4.418  -5.201
  770    HA   ILE 101           HA       ILE 101  -9.694   1.590  -5.061
  771    HB   ILE 101           HB       ILE 101 -10.614   3.864  -3.329
  772   1HG1  ILE 101          HG12      ILE 101  -9.076   1.485  -2.380
  773   2HG1  ILE 101          HG11      ILE 101  -8.253   2.590  -3.474
  774   1HG2  ILE 101          HG21      ILE 101 -11.486   0.982  -3.191
  775   2HG2  ILE 101          HG23      ILE 101 -11.357   1.952  -1.727
  776   3HG2  ILE 101          HG22      ILE 101 -12.463   2.437  -3.009
  777   1HD1  ILE 101           HD1      ILE 101  -9.644   3.389  -0.893
  778   2HD1  ILE 101           HD3      ILE 101  -7.902   3.246  -1.108
  779   3HD1  ILE 101           HD2      ILE 101  -8.798   4.484  -1.982
  780    H    ASN 102           HN       ASN 102 -11.944   4.155  -5.676
  781    HA   ASN 102           HA       ASN 102 -14.327   2.585  -5.732
  782   1HB   ASN 102           HB2      ASN 102 -13.958   5.193  -5.825
  783   2HB   ASN 102           HB1      ASN 102 -13.943   4.925  -7.566
  784   1HD2  ASN 102          HD22      ASN 102 -17.472   5.513  -6.491
  785   2HD2  ASN 102          HD21