*HEADER    IMMUNOGLOBULIN-BINDING PROTEIN          02-AUG-01   1GJT
*TITLE     SOLUTION STRUCTURE OF THE ALBUMIN BINDING DOMAIN OF
*TITLE    2 STREPTOCOCCAL PROTEIN G
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: IMMUNOGLOBULIN G BINDING PROTEIN G;
*COMPND   3 SYNONYM: ABD,ALBUMIN-BINDING DOMAIN OF PROTEIN G,
*COMPND   4  IGG BINDING PROTEIN G;
*COMPND   5 CHAIN: A;
*COMPND   6 FRAGMENT: ALBUMIN-BINDING DOMAIN;
*COMPND   7 ENGINEERED: YES
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: GROUP G STREPTOCOCCI;
*SOURCE   3 ORGANISM_COMMON: STREPTOCOCCUS SP. 'GROUP G';
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI
*KEYWDS    BACTERIAL SURFACE PROTEIN, ALBUMIN BINDING, PROTEIN G
*EXPDTA    NMR, REGULARIZED MEAN STRUCTURE
*AUTHOR    M.U.JOHANSSON,I.M.FRICK,H.NILSSON,P.J.KRAULIS,S.HOBER,
*AUTHOR   2 P.JONASSON,P.A.NYGREN,M.UHLEN,L.BJORCK,S.DRAKENBERGFORSEN,
*AUTHOR   3 M.WIKSTROM
*REVDAT   1   09-AUG-01 1GJT    0




! NMR constraints ABD from protein G 
! Mats Wikstrom, Biovitrum, SE-11012 Stockholm, Sweden

! NOE distance constraints

! residue 1    Met , intraresidue NOEs
assi (resi 1    and name HA  ) (resi 1    and name HG# )  4.00  4.00  2.00

! residue 1    Met , NOEs forward in sequence
assi (resi 2    and name HA  ) (resi 2    and name HG# )  4.00  2.20  1.00
assi (resi 2    and name HG# ) (resi 2    and name HD# )  2.50  0.70  0.20
assi (resi 2    and name HG# ) (resi 2    and name HE# )  4.00  2.20  1.00

! residue 4    Ile , intraresidue NOEs
assi (resi 4    and name HN  ) (resi 4    and name HB  )  4.00  2.20  1.00
assi (resi 4    and name HA  ) (resi 4    and name HG1#)  4.00  2.20  1.00
assi (resi 4    and name HG1#) (resi 4    and name HG2#)  4.00  2.20  1.50

! residue 4    Ile , NOEs forward in sequence
assi (resi 4    and name HA  ) (resi 5    and name HN  )  4.00  2.20  1.00

! residue 5    Phe , intraresidue NOEs
assi (resi 5    and name HN  ) (resi 5    and name HB# )  4.00  2.20  1.00

! residue 5    Phe , NOEs forward in sequence
assi (resi 5    and name HA  ) (resi 6    and name HN  )  4.00  2.20  1.00

! residue 6    Val , intraresidue NOEs
assi (resi 6    and name HN  ) (resi 6    and name HB  )  4.00  2.20  1.00
assi (resi 6    and name HN  ) (resi 6    and name HG*)  4.00  2.20  1.50
assi (resi 6    and name HA  ) (resi 6    and name HG# )  3.00  1.20  0.80

! residue 6    Val , NOEs forward in sequence
assi (resi 6    and name HA  ) (resi 7    and name HN  )  4.00  2.20  1.00

! residue 7    Leu , intraresidue NOEs
assi (resi 7    and name HN  ) (resi 7    and name HB# )  4.00  2.20  1.00
assi (resi 7    and name HA  ) (resi 7    and name HG  )  4.00  2.20  1.00
assi (resi 7    and name HA  ) (resi 7    and name HD* )  4.00  2.20  1.50
assi (resi 7    and name HB# ) (resi 7    and name HD* )  4.00  2.20  1.50

! residue 10   Gln , intraresidue NOEs
assi (resi 10   and name HA  ) (resi 10   and name HG# )  4.00  2.20  1.00
assi (resi 10   and name HB# ) (resi 10   and name HG# )  2.50  0.70  0.20

! residue 12   Asp , intraresidue NOEs
assi (resi 12   and name HA  ) (resi 12   and name HB# )  3.00  1.20  0.30

! residue 12   Asp , NOEs forward in sequence
assi (resi 12   and name HA  ) (resi 13   and name HN  )  4.00  2.20  1.00

! residue 13   Glu , intraresidue NOEs
assi (resi 13   and name HN  ) (resi 13   and name HB# )  4.00  2.20  1.00
assi (resi 13   and name HN  ) (resi 13   and name HG# )  4.00  2.20  1.00
assi (resi 13   and name HA  ) (resi 13   and name HG# )  4.00  2.20  1.00
assi (resi 13   and name HB# ) (resi 13   and name HG# )  2.50  0.70  0.20

! residue 13   Glu , NOEs forward in sequence
assi (resi 13   and name HA  ) (resi 14   and name HN  )  4.00  2.20  1.00

! residue 14   Ala , intraresidue NOEs
assi (resi 14   and name HN  ) (resi 14   and name HB# )  3.00  1.20  0.80

! residue 14   Ala , NOEs forward in sequence
assi (resi 14   and name HA  ) (resi 15   and name HN  )  3.00  1.20  0.30

! residue 15   Val , intraresidue NOEs
assi (resi 15   and name HN  ) (resi 15   and name HB  )  4.00  2.20  1.00
assi (resi 15   and name HN  ) (resi 15   and name HG# )  4.00  2.20  1.50
assi (resi 15   and name HA  ) (resi 15   and name HG# )  3.00  1.20  0.80

! residue 15   Val , NOEs forward in sequence
assi (resi 15   and name HA  ) (resi 16   and name HN  )  4.00  2.20  1.00
assi (resi 15   and name HB  ) (resi 16   and name HN  )  4.00  2.20  1.00
assi (resi 15   and name HG# ) (resi 16   and name HN  )  4.00  2.20  1.50

! residue 16   Asp , intraresidue NOEs
assi (resi 16   and name HN  ) (resi 16   and name HB# )  4.00  2.20  1.00

! residue 16   Asp , NOEs forward in sequence
assi (resi 16   and name HB# ) (resi 19   and name HB# )  4.00  2.20  1.00

! residue 17   Ala , intraresidue NOEs
assi (resi 17   and name HN  ) (resi 17   and name HB# )  4.00  2.20  1.50

! residue 17   Ala , NOEs forward in sequence
assi (resi 17   and name HA  ) (resi 20   and name HB# )  4.00  2.20  1.00

! residue 18   Asn , intraresidue NOEs
assi (resi 18   and name HN  ) (resi 18   and name HB# )  4.00  2.20  1.00
assi (resi 18   and name HA  ) (resi 18   and name HB# )  3.00  1.20  0.30
assi (resi 18   and name HD2#) (resi 18   and name HB# )  4.00  2.20  1.00

! residue 18   Asn , NOEs forward in sequence
assi (resi 18   and name HB# ) (resi 19   and name HN  )  4.00  2.20  1.00
assi (resi 18   and name HB# ) (resi 19   and name HA  )  4.00  2.20  1.00
assi (resi 18   and name HA  ) (resi 21   and name HB# )  3.00  1.20  0.30
assi (resi 18   and name HB# ) (resi 21   and name HB# )  4.00  2.20  1.50
assi (resi 18   and name HD2#) (resi 22   and name HN  )  4.00  2.20  1.00

! residue 19   Ser , intraresidue NOEs
assi (resi 19   and name HN  ) (resi 19   and name HB# )  4.00  2.20  1.00
assi (resi 19   and name HA  ) (resi 19   and name HB# )  2.50  0.70  0.20

! residue 19   Ser , NOEs forward in sequence
assi (resi 19   and name HA  ) (resi 22   and name HN  )  4.00  2.20  1.00
assi (resi 19   and name HA  ) (resi 22   and name HG# )  4.00  2.20  1.00
assi (resi 19   and name HA  ) (resi 22   and name HB# )  4.00  2.20  1.00
assi (resi 19   and name HB# ) (resi 22   and name HN  )  4.00  2.20  1.00
assi (resi 19   and name HB# ) (resi 22   and name HB# )  4.00  2.20  1.00
assi (resi 19   and name HB# ) (resi 50   and name HG# )  4.00  2.20  1.50

! residue 20   Leu , intraresidue NOEs
assi (resi 20   and name HN  ) (resi 20   and name HB# )  4.00  2.20  1.00
assi (resi 20   and name HA  ) (resi 20   and name HB# )  3.00  1.20  0.30
assi (resi 20   and name HA  ) (resi 20   and name HG  )  4.00  2.20  1.00
assi (resi 20   and name HA  ) (resi 20   and name HD* )  4.00  2.20  1.00
assi (resi 20   and name HB# ) (resi 20   and name HD* )  2.50  0.70  0.20

! residue 20   Leu , NOEs forward in sequence
assi (resi 20   and name HA  ) (resi 21   and name HN  )  4.00  2.20  1.00
assi (resi 20   and name HB# ) (resi 21   and name HN  )  3.00  1.20  0.30
assi (resi 20   and name HG  ) (resi 21   and name HN  )  4.00  2.20  1.00
assi (resi 20   and name HD*) (resi 21   and name HN  )  4.00  2.20  1.50
assi (resi 20   and name HB# ) (resi 21   and name HA  )  4.00  2.20  1.00
assi (resi 20   and name HB# ) (resi 22   and name HN  )  4.00  2.20  1.00
assi (resi 20   and name HA  ) (resi 23   and name HB# )  4.00  2.20  1.50
assi (resi 20   and name HD* ) (resi 23   and name HB# )  4.00  2.20  2.00
assi (resi 20   and name HG  ) (resi 24   and name HE# )  4.00  2.20  1.00
assi (resi 20   and name HD*) (resi 24   and name HG# )  4.00  2.20  1.50
assi (resi 20   and name HD*) (resi 24   and name HE# )  4.00  2.20  1.50
assi (resi 20   and name HD* ) (resi 24   and name HN  )  4.00  2.20  1.50
assi (resi 20   and name HD* ) (resi 24   and name HD# )  4.00  2.20  1.50
assi (resi 20   and name HD* ) (resi 24   and name HG# )  3.00  1.20  0.80
assi (resi 20   and name HD* ) (resi 24   and name HE# )  4.00  2.20  1.50
assi (resi 20   and name HD*) (resi 48   and name HA  )  4.00  2.20  1.50
assi (resi 20   and name HD*) (resi 49   and name HN  )  4.00  2.20  1.50
assi (resi 20   and name HD* ) (resi 49   and name HA  )  4.00  2.20  1.50
assi (resi 20   and name HA  ) (resi 50   and name HA  )  4.00  2.20  1.00
assi (resi 20   and name HA  ) (resi 50   and name HG*)  3.00  1.20  0.80
assi (resi 20   and name HD*) (resi 50   and name HA  )  4.00  2.20  1.50
assi (resi 20   and name HD*) (resi 50   and name HG* )  2.50  0.70  1.20
assi (resi 20   and name HB# ) (resi 50   and name HG* )  4.00  2.20  1.50
assi (resi 20   and name HD* ) (resi 50   and name HN  )  4.00  2.20  1.50
assi (resi 20   and name HD* ) (resi 50   and name HB  )  4.00  2.00  1.50
assi (resi 20   and name HD* ) (resi 53   and name HN  )  4.00  2.00  1.50
assi (resi 20   and name HD* ) (resi 53   and name HB  )  4.00  2.00  1.50
assi (resi 20   and name HD* ) (resi 53   and name HG*)  2.50  0.70  1.20

! residue 21   Ala , intraresidue NOEs
assi (resi 21   and name HN  ) (resi 21   and name HA  )  2.50  0.70  0.20
assi (resi 21   and name HN  ) (resi 21   and name HB# )  2.50  0.70  0.70

! residue 21   Ala , NOEs forward in sequence
assi (resi 21   and name HA  ) (resi 22   and name HN  )  4.00  2.20  1.00
assi (resi 21   and name HB# ) (resi 22   and name HN  )  2.50  0.70  0.90
assi (resi 21   and name HA  ) (resi 24   and name HN  )  3.00  1.20  0.50
assi (resi 21   and name HA  ) (resi 24   and name HG# )  4.00  2.20  1.00
assi (resi 21   and name HA  ) (resi 24   and name HD# )  4.00  2.20  1.00
assi (resi 21   and name HA  ) (resi 24   and name HB# )  3.00  1.20  0.30

! residue 22   Glu , intraresidue NOEs
assi (resi 22   and name HN  ) (resi 22   and name HA  )  2.50  0.70  0.40
assi (resi 22   and name HN  ) (resi 22   and name HB# )  2.50  0.70  0.40
assi (resi 22   and name HN  ) (resi 22   and name HG# )  4.00  4.00  1.00
assi (resi 22   and name HA  ) (resi 22   and name HB# )  2.50  0.70  0.20
assi (resi 22   and name HA  ) (resi 22   and name HG# )  3.00  1.20  0.30
assi (resi 22   and name HG# ) (resi 22   and name HB# )  2.50  0.70  0.20

! residue 22   Glu , NOEs forward in sequence
assi (resi 22   and name HG# ) (resi 23   and name HN  )  4.00  4.00  1.00
assi (resi 22   and name HB# ) (resi 23   and name HN  )  3.00  1.20  0.50
assi (resi 22   and name HB# ) (resi 23   and name HA  )  4.00  2.20  1.00
assi (resi 22   and name HG# ) (resi 23   and name HA  )  4.00  2.20  1.00
assi (resi 22   and name HA  ) (resi 25   and name HN  )  4.00  2.20  1.00
assi (resi 22   and name HA  ) (resi 25   and name HA  )  4.00  2.20  1.00
assi (resi 22   and name HA  ) (resi 25   and name HB  )  3.00  1.20  0.30
assi (resi 22   and name HA  ) (resi 25   and name HG*)  4.00  2.20  1.50
assi (resi 22   and name HA  ) (resi 26   and name HB# )  6.00  4.20  2.00  
assi (resi 22   and name HG# ) (resi 26   and name HG  )  4.00  2.20  1.00
assi (resi 22   and name HG# ) (resi 26   and name HD*)  4.00  2.20  1.50
assi (resi 22   and name HB# ) (resi 26   and name HB# )  4.00  2.20  1.00
assi (resi 22   and name HB# ) (resi 26   and name HD* )  4.00  2.20  1.50

! residue 23   Ala , intraresidue NOEs
assi (resi 23   and name HN  ) (resi 23   and name HA  )  2.50  0.70  0.40
assi (resi 23   and name HN  ) (resi 23   and name HB# )  2.50  0.70  0.90

! residue 23   Ala , NOEs forward in sequence
assi (resi 23   and name HA  ) (resi 24   and name HN  )  4.00  2.20  1.00
assi (resi 23   and name HB# ) (resi 24   and name HN  )  2.50  0.70  0.90
assi (resi 23   and name HB# ) (resi 24   and name HA  )  4.00  2.20  1.50
assi (resi 23   and name HN  ) (resi 25   and name HN  )  4.00  2.20  1.00
assi (resi 23   and name HA  ) (resi 25   and name HN  )  4.00  2.20  1.00
assi (resi 23   and name HB# ) (resi 25   and name HN  )  4.00  2.20  1.50
assi (resi 23   and name HA  ) (resi 26   and name HN  )  4.00  2.20  1.00
assi (resi 23   and name HA  ) (resi 26   and name HB# )  4.00  2.20  1.00
assi (resi 23   and name HA  ) (resi 26   and name HG  )  4.00  2.20  1.00
assi (resi 23   and name HA  ) (resi 26   and name HD*)  4.00  2.20  1.50
assi (resi 23   and name HA  ) (resi 27   and name HN  )  4.00  2.20  1.00
assi (resi 23   and name HN  ) (resi 50   and name HG*)  4.00  2.20  1.50
assi (resi 23   and name HB# ) (resi 50   and name HA  )  4.00  2.20  1.50
assi (resi 23   and name HB# ) (resi 50   and name HG*)  3.00  1.20  1.30
assi (resi 23   and name HA  ) (resi 53   and name HG*)  4.00  2.20  1.50
assi (resi 23   and name HB# ) (resi 53   and name HB  )  4.00  2.20  1.50
assi (resi 23   and name HB# ) (resi 53   and name HG*)  3.00  1.20  1.30

! residue 24   Lys , intraresidue NOEs
assi (resi 24   and name HN  ) (resi 24   and name HA  )  3.00  1.20  0.50
assi (resi 24   and name HN  ) (resi 24   and name HE# )  4.00  2.20  1.00
assi (resi 24   and name HN  ) (resi 24   and name HB# )  2.50  0.70  0.40
assi (resi 24   and name HN  ) (resi 24   and name HG# )  4.00  2.20  1.00
assi (resi 24   and name HN  ) (resi 24   and name HD# )  4.00  2.20  1.00
assi (resi 24   and name HA  ) (resi 24   and name HG# )  4.00  2.20  1.00
assi (resi 24   and name HA  ) (resi 24   and name HB# )  3.00  1.20  0.30
assi (resi 24   and name HA  ) (resi 24   and name HD# )  4.00  2.20  1.00
assi (resi 24   and name HG# ) (resi 24   and name HE# )  4.00  2.20  1.00
assi (resi 24   and name HG# ) (resi 24   and name HB# )  3.00  1.20  0.30
assi (resi 24   and name HE# ) (resi 24   and name HB# )  4.00  2.20  1.00
assi (resi 24   and name HB# ) (resi 24   and name HD# )  3.00  1.20  0.30

! residue 24   Lys , NOEs forward in sequence
assi (resi 24   and name HN  ) (resi 25   and name HN  )  3.00  1.20  0.70
assi (resi 24   and name HN  ) (resi 25   and name HB  )  4.00  2.20  1.00
assi (resi 24   and name HN  ) (resi 25   and name HG*)  4.00  2.20  1.50
assi (resi 24   and name HA  ) (resi 25   and name HN  )  4.00  2.20  1.00
assi (resi 24   and name HB# ) (resi 25   and name HN  )  3.00  1.20  0.50
assi (resi 24   and name HB# ) (resi 25   and name HG*)  4.00  2.20  1.50
assi (resi 24   and name HA  ) (resi 26   and name HN  )  4.00  2.20  1.00
assi (resi 24   and name HA  ) (resi 27   and name HN  )  4.00  2.20  1.00
assi (resi 24   and name HA  ) (resi 27   and name HB# )  3.00  1.20  0.80
assi (resi 24   and name HB# ) (resi 28   and name HD2#)  4.00  2.20  1.00
assi (resi 24   and name HN  ) (resi 44   and name HG2#)  4.00  2.20  1.50
assi (resi 24   and name HA  ) (resi 44   and name HB  )  4.00  2.20  1.00
assi (resi 24   and name HA  ) (resi 44   and name HG2#)  3.00  1.20  0.80
assi (resi 24   and name HA  ) (resi 44   and name HD1#)  4.00  2.20  1.50
assi (resi 24   and name HG# ) (resi 44   and name HA  )  4.00  2.20  1.00
assi (resi 24   and name HB# ) (resi 44   and name HG2#)  4.00  2.20  1.50
assi (resi 24   and name HD# ) (resi 45   and name HA  )  3.00  1.20  0.30
assi (resi 24   and name HE# ) (resi 45   and name HA  )  4.00  2.20  1.00
assi (resi 24   and name HB# ) (resi 45   and name HN  )  4.00  2.20  1.00
assi (resi 24   and name HB# ) (resi 45   and name HA  )  4.00  2.20  1.00
assi (resi 24   and name HG# ) (resi 45   and name HA  )  4.00  2.20  1.00
assi (resi 24   and name HD# ) (resi 45   and name HB# )  4.00  2.20  1.00
assi (resi 24   and name HD# ) (resi 47   and name HN  )  4.00  2.20  1.00
assi (resi 24   and name HE# ) (resi 47   and name HN  )  4.00  2.20  1.00
assi (resi 24   and name HE# ) (resi 47   and name HB# )  3.00  1.20  0.80
assi (resi 24   and name HE# ) (resi 47   and name HB# )  4.00  2.20  1.50
assi (resi 24   and name HN  ) (resi 53   and name HG*)  4.00  2.20  1.50
assi (resi 24   and name HA  ) (resi 53   and name HG*)  3.00  1.20  0.80
assi (resi 24   and name HE# ) (resi 53   and name HG*)  4.00  2.20  1.50
assi (resi 24   and name HB# ) (resi 53   and name HG*)  3.00  1.20  0.80
assi (resi 24   and name HG# ) (resi 53   and name HA  )  4.00  2.20  1.00
assi (resi 24   and name HG# ) (resi 53   and name HG*)  3.00  1.20  0.80
assi (resi 24   and name HD# ) (resi 53   and name HG*)  4.00  2.20  1.50

! residue 25   Val , intraresidue NOEs
assi (resi 25   and name HN  ) (resi 25   and name HA  )  3.00  1.20  0.50
assi (resi 25   and name HN  ) (resi 25   and name HB  )  2.50  0.70  0.40
assi (resi 25   and name HN  ) (resi 25   and name HG*)  2.50  0.70  0.70
assi (resi 25   and name HA  ) (resi 25   and name HG*)  2.50  0.70  0.70

! residue 25   Val , NOEs forward in sequence
assi (resi 25   and name HN  ) (resi 26   and name HN  )  3.00  1.20  0.70
assi (resi 25   and name HA  ) (resi 26   and name HN  )  4.00  2.20  1.00
assi (resi 25   and name HB  ) (resi 26   and name HN  )  3.00  1.20  0.50
assi (resi 25   and name HG*) (resi 26   and name HN  )  4.00  2.20  1.50
assi (resi 25   and name HA  ) (resi 28   and name HN  )  4.00  2.20  1.00
assi (resi 25   and name HA  ) (resi 28   and name HB# )  4.00  2.20  1.00
assi (resi 25   and name HA  ) (resi 28   and name HD2#)  4.00  2.20  1.00
assi (resi 25   and name HA  ) (resi 29   and name HG# )  4.00  2.20  1.00
assi (resi 25   and name HG*) (resi 29   and name HG# )  4.00  2.20  1.50
assi (resi 25   and name HG*) (resi 29   and name HD# )  4.00  2.20  1.50

! residue 26   Leu , intraresidue NOEs
assi (resi 26   and name HN  ) (resi 26   and name HA  )  3.00  1.20  0.50
assi (resi 26   and name HN  ) (resi 26   and name HB# )  2.50  0.70  0.40
assi (resi 26   and name HN  ) (resi 26   and name HG  )  3.00  1.20  0.50
assi (resi 26   and name HN  ) (resi 26   and name HD* )  4.00  1.20  1.50
assi (resi 26   and name HA  ) (resi 26   and name HB# )  3.00  1.20  0.30
assi (resi 26   and name HA  ) (resi 26   and name HG  )  3.00  1.20  0.30
assi (resi 26   and name HA  ) (resi 26   and name HD*)  2.50  0.70  0.70
assi (resi 26   and name HB# ) (resi 26   and name HD* )  3.00  1.20  0.80
assi (resi 26   and name HB# ) (resi 26   and name HG  )  2.50  0.70  0.20

! residue 26   Leu , NOEs forward in sequence
assi (resi 26   and name HN  ) (resi 27   and name HN  )  3.00  1.20  0.70
assi (resi 26   and name HA  ) (resi 27   and name HN  )  4.00  2.20  1.00
assi (resi 26   and name HB# ) (resi 27   and name HN  )  4.00  2.20  1.00
assi (resi 26   and name HG  ) (resi 27   and name HN  )  4.00  2.20  1.00
assi (resi 26   and name HD* ) (resi 27   and name HN  )  4.00  2.20  1.50
assi (resi 26   and name HA  ) (resi 29   and name HN  )  4.00  2.20  1.00
assi (resi 26   and name HA  ) (resi 29   and name HB# )  4.00  2.20  1.00
assi (resi 26   and name HA  ) (resi 29   and name HD# )  4.00  2.20  1.00
assi (resi 26   and name HD* ) (resi 29   and name HB# )  4.00  2.20  1.50
assi (resi 26   and name HD* ) (resi 29   and name HG# )  4.00  2.20  1.50
assi (resi 26   and name HD* ) (resi 29   and name HD# )  4.00  2.20  1.50
assi (resi 26   and name HA  ) (resi 30   and name HN  )  4.00  2.20  1.00
assi (resi 26   and name HD* ) (resi 30   and name HN  )  4.00  2.20  1.50

! residue 27   Ala , intraresidue NOEs
assi (resi 27   and name HN  ) (resi 27   and name HA  )  3.00  1.20  0.50
assi (resi 27   and name HN  ) (resi 27   and name HB# )  2.50  1.20  0.70

! residue 27   Ala , NOEs forward in sequence
assi (resi 27   and name HA  ) (resi 28   and name HN  )  4.00  2.20  1.00
assi (resi 27   and name HB# ) (resi 28   and name HN  )  3.00  1.20  1.00
assi (resi 27   and name HA  ) (resi 29   and name HN  )  4.00  2.20  1.00
assi (resi 27   and name HA  ) (resi 30   and name HN  )  4.00  2.20  1.00
assi (resi 27   and name HA  ) (resi 30   and name HG# )  4.00  2.20  1.00
assi (resi 27   and name HA  ) (resi 30   and name HB# )  4.00  2.20  1.00
assi (resi 27   and name HA  ) (resi 31   and name HN  )  4.00  2.20  1.00
assi (resi 27   and name HA  ) (resi 31   and name HD* )  4.00  2.20  1.50
assi (resi 27   and name HB# ) (resi 53   and name HB  )  4.00  2.20  1.50
assi (resi 27   and name HB# ) (resi 53   and name HG*)  3.00  1.20  1.30  
assi (resi 27   and name HA  ) (resi 57   and name HD1#)  4.00  2.20  1.50
assi (resi 27   and name HA  ) (resi 57   and name HG1#)  4.00  2.20  1.00
assi (resi 27   and name HB# ) (resi 57   and name HB  )  4.00  4.00  1.80
assi (resi 27   and name HB# ) (resi 57   and name HD1#)  2.50  0.70  1.20

! residue 28   Asn , intraresidue NOEs
assi (resi 28   and name HN  ) (resi 28   and name HA  )  3.00  1.20  0.50
assi (resi 28   and name HN  ) (resi 28   and name HB# )  2.50  0.70  0.40
assi (resi 28   and name HN  ) (resi 28   and name HD2#)  4.00  4.00  1.00
assi (resi 28   and name HA  ) (resi 28   and name HB# )  3.00  1.20  0.30
assi (resi 28   and name HA  ) (resi 28   and name HD2#)  4.00  2.20  1.00
assi (resi 28   and name HB# ) (resi 28   and name HD2#)  4.00  2.20  1.00

! residue 28   Asn , NOEs forward in sequence
assi (resi 28   and name HN  ) (resi 29   and name HN  )  2.50  1.20  0.60
assi (resi 28   and name HA  ) (resi 29   and name HN  )  4.00  2.20  1.00
assi (resi 28   and name HB# ) (resi 29   and name HN  )  3.00  1.20  0.50
assi (resi 28   and name HN  ) (resi 30   and name HN  )  4.00  2.20  1.00
assi (resi 28   and name HA  ) (resi 30   and name HN  )  4.00  2.20  1.00
assi (resi 28   and name HA  ) (resi 31   and name HN  )  4.00  2.20  1.00
assi (resi 28   and name HA  ) (resi 31   and name HB# )  4.00  2.20  1.00
assi (resi 28   and name HA  ) (resi 31   and name HG  )  4.00  2.20  1.00
assi (resi 28   and name HA  ) (resi 31   and name HD* )  4.00  2.20  1.50
assi (resi 28   and name HA  ) (resi 41   and name HE# )  4.00  2.20  1.00
assi (resi 28   and name HD2#) (resi 41   and name HA  )  4.00  2.20  1.00
assi (resi 28   and name HD2#) (resi 41   and name HB# )  4.00  2.20  1.00
assi (resi 28   and name HN  ) (resi 44   and name HG2#)  4.00  2.20  1.50
assi (resi 28   and name HN  ) (resi 44   and name HD1#)  4.00  2.20  1.50
assi (resi 28   and name HB2 ) (resi 44   and name HG2#)  4.00  2.20  1.50
assi (resi 28   and name HD2#) (resi 44   and name HG2#)  4.00  4.00  1.50
assi (resi 28   and name HD2#) (resi 44   and name HB  )  4.00  2.20  1.00
assi (resi 28   and name HD2#) (resi 45   and name HN  )  4.00  2.20  1.00

! residue 29   Arg , intraresidue NOEs
assi (resi 29   and name HN  ) (resi 29   and name HA  )  2.50  0.70  0.40
assi (resi 29   and name HN  ) (resi 29   and name HG# )  4.00  2.20  1.00
assi (resi 29   and name HN  ) (resi 29   and name HB# )  2.50  0.70  0.40
assi (resi 29   and name HN  ) (resi 29   and name HD# )  4.00  2.20  1.00
assi (resi 29   and name HA  ) (resi 29   and name HG# )  4.00  2.20  1.00
assi (resi 29   and name HA  ) (resi 29   and name HB# )  2.50  0.70  0.20
assi (resi 29   and name HA  ) (resi 29   and name HD# )  4.00  2.20  1.00
assi (resi 29   and name HG# ) (resi 29   and name HB# )  2.50  0.70  0.20
assi (resi 29   and name HG# ) (resi 29   and name HD# )  3.00  1.20  0.30
assi (resi 29   and name HB# ) (resi 29   and name HD# )  4.00  2.20  1.00

! residue 29   Arg , NOEs forward in sequence
assi (resi 29   and name HN  ) (resi 30   and name HN  )  2.50  0.70  0.60
assi (resi 29   and name HA  ) (resi 30   and name HN  )  4.00  2.20  1.00
assi (resi 29   and name HG# ) (resi 30   and name HN  )  4.00  2.20  1.00
assi (resi 29   and name HB# ) (resi 30   and name HN  )  3.00  1.20  0.50
assi (resi 29   and name HN  ) (resi 31   and name HN  )  4.00  2.20  1.00
assi (resi 29   and name HA  ) (resi 32   and name HN  )  3.00  1.20  0.50
assi (resi 29   and name HA  ) (resi 32   and name HB# )  3.00  1.20  0.30

! residue 30   Glu , intraresidue NOEs
assi (resi 30   and name HN  ) (resi 30   and name HA  )  2.50  0.70  0.40
assi (resi 30   and name HN  ) (resi 30   and name HG# )  4.00  2.20  1.00
assi (resi 30   and name HN  ) (resi 30   and name HB# )  2.50  0.70  0.40
assi (resi 30   and name HA  ) (resi 30   and name HG# )  4.00  2.20  1.00
assi (resi 30   and name HA  ) (resi 30   and name HB# )  2.50  0.70  0.20
assi (resi 30   and name HG# ) (resi 30   and name HB# )  2.50  0.70  0.20

! residue 30   Glu , NOEs forward in sequence
assi (resi 30   and name HN  ) (resi 31   and name HN  )  2.50  0.70  0.60
assi (resi 30   and name HA  ) (resi 31   and name HN  )  3.00  1.20  0.50
assi (resi 30   and name HB# ) (resi 31   and name HN  )  4.00  2.20  1.00
assi (resi 30   and name HB# ) (resi 31   and name HB# )  4.00  2.20  1.00
assi (resi 30   and name HB# ) (resi 31   and name HG  )  4.00  2.20  1.00
assi (resi 30   and name HG# ) (resi 31   and name HN  )  4.00  2.20  1.00
assi (resi 30   and name HA  ) (resi 33   and name HN  )  3.00  1.20  0.50
assi (resi 30   and name HA  ) (resi 33   and name HB# )  4.00  2.20  1.00
assi (resi 30   and name HA  ) (resi 33   and name HG# )  4.00  2.20  1.00
assi (resi 30   and name HA  ) (resi 33   and name HE# )  4.00  2.20  1.00
assi (resi 30   and name HA  ) (resi 33   and name HD# )  4.00  2.20  1.00
assi (resi 30   and name HG# ) (resi 34   and name HE# )  4.00  2.20  1.00
assi (resi 30   and name HB# ) (resi 34   and name HD# )  4.00  2.20  1.00
assi (resi 30   and name HB# ) (resi 34   and name HE# )  4.00  2.20  1.00
assi (resi 30   and name HG# ) (resi 34   and name HD# )  4.00  2.20  1.00
assi (resi 30   and name HG# ) (resi 57   and name HD1#)  4.00  2.20  1.50
assi (resi 30   and name HB# ) (resi 57   and name HG2#)  4.00  2.20  1.50
assi (resi 30   and name HB# ) (resi 57   and name HD1#)  4.00  2.20  1.50
assi (resi 30   and name HG# ) (resi 57   and name HG2#)  4.00  2.20  1.50
assi (resi 30   and name HG# ) (resi 61   and name HD* )  4.00  2.20  1.50
assi (resi 30   and name HB# ) (resi 61   and name HD* )  4.00  2.20  1.50

! residue 31   Leu , intraresidue NOEs
assi (resi 31   and name HN  ) (resi 31   and name HA  )  3.00  1.20  0.50
assi (resi 31   and name HN  ) (resi 31   and name HB# )  2.50  0.70  0.40
assi (resi 31   and name HN  ) (resi 31   and name HG  )  4.00  2.20  1.00
assi (resi 31   and name HN  ) (resi 31   and name HD*)  4.00  2.20  1.50
assi (resi 31   and name HA  ) (resi 31   and name HB# )  3.00  1.20  0.30
assi (resi 31   and name HA  ) (resi 31   and name HG  )  4.00  2.20  1.00
assi (resi 31   and name HA  ) (resi 31   and name HD* )  4.00  2.20  1.50
assi (resi 31   and name HB# ) (resi 31   and name HD* )  3.00  1.20  0.80

! residue 31   Leu , NOEs forward in sequence
assi (resi 31   and name HB# ) (resi 32   and name HN  )  3.00  1.20  0.50
assi (resi 31   and name HB# ) (resi 32   and name HB# )  4.00  2.20  1.00
assi (resi 31   and name HG  ) (resi 32   and name HB# )  4.00  2.20  1.00
assi (resi 31   and name HA  ) (resi 34   and name HN  )  4.00  2.20  1.00
assi (resi 31   and name HA  ) (resi 34   and name HB# )  4.00  2.20  1.00
assi (resi 31   and name HA  ) (resi 34   and name HD# )  4.00  2.20  1.00
assi (resi 31   and name HA  ) (resi 34   and name HE# )  4.00  2.20  1.00
assi (resi 31   and name HD* ) (resi 34   and name HB# )  4.00  2.20  1.50
assi (resi 31   and name HD* ) (resi 34   and name HD# )  4.00  2.20  1.50
assi (resi 31   and name HA  ) (resi 35   and name HN  )  4.00  2.20  1.00
assi (resi 31   and name HB# ) (resi 36   and name HG* )  4.00  2.20  1.50
assi (resi 31   and name HB# ) (resi 36   and name HB  )  4.00  2.20  1.00
assi (resi 31   and name HD* ) (resi 36   and name HA  )  4.00  2.20  1.50
assi (resi 31   and name HD* ) (resi 36   and name HB  )  4.00  2.20  1.50
assi (resi 31   and name HB# ) (resi 40   and name HB# )  4.00  2.20  1.00
assi (resi 31   and name HD*) (resi 40   and name HB# )  4.00  2.20  1.50
assi (resi 31   and name HD*) (resi 40   and name HD# )  4.00  2.20  1.50
assi (resi 31   and name HD* ) (resi 40   and name HN  )  4.00  2.20  1.50
assi (resi 31   and name HD* ) (resi 41   and name HN  )  4.00  2.20  1.50
assi (resi 31   and name HD* ) (resi 57   and name HA  )  4.00  2.20  1.50
assi (resi 31   and name HA  ) (resi 60   and name HG2#)  4.00  2.20  1.50
assi (resi 31   and name HD* ) (resi 60   and name HG1#)  4.00  2.20  1.50
assi (resi 31   and name HA  ) (resi 61   and name HD*)  4.00  4.00  1.50
assi (resi 31   and name HD* ) (resi 61   and name HD* )  2.50  0.70  1.20

! residue 32   Asp , intraresidue NOEs
assi (resi 32   and name HN  ) (resi 32   and name HA  )  3.00  1.20  0.50
assi (resi 32   and name HN  ) (resi 32   and name HB# )  2.50  0.70  0.40
assi (resi 32   and name HA  ) (resi 32   and name HB# )  3.00  1.20  0.30

! residue 32   Asp , NOEs forward in sequence
assi (resi 32   and name HN  ) (resi 33   and name HN  )  3.00  1.20  0.70
assi (resi 32   and name HA  ) (resi 33   and name HN  )  4.00  2.20  1.00
assi (resi 32   and name HB# ) (resi 33   and name HN  )  4.00  2.20  1.00
assi (resi 32   and name HB# ) (resi 33   and name HA  )  4.00  2.20  1.00
assi (resi 32   and name HN  ) (resi 34   and name HN  )  4.00  2.20  1.00
assi (resi 32   and name HA  ) (resi 35   and name HN  )  4.00  2.20  1.00
assi (resi 32   and name HA  ) (resi 35   and name HA# )  4.00  2.20  1.00

! residue 33   Lys , intraresidue NOEs
assi (resi 33   and name HN  ) (resi 33   and name HA  )  3.00  1.20  0.50
assi (resi 33   and name HN  ) (resi 33   and name HB# )  3.00  1.20  0.50
assi (resi 33   and name HN  ) (resi 33   and name HG# )  4.00  2.20  1.00
assi (resi 33   and name HN  ) (resi 33   and name HD# )  4.00  2.20  1.00
assi (resi 33   and name HA  ) (resi 33   and name HG# )  4.00  2.20  1.00
assi (resi 33   and name HA  ) (resi 33   and name HE# )  4.00  2.20  1.00
assi (resi 33   and name HA  ) (resi 33   and name HD# )  4.00  2.20  1.00
assi (resi 33   and name HB# ) (resi 33   and name HE# )  4.00  2.20  1.00
assi (resi 33   and name HG# ) (resi 33   and name HE# )  4.00  2.20  1.00
assi (resi 33   and name HG# ) (resi 33   and name HD# )  2.50  0.70  0.20

! residue 33   Lys , NOEs forward in sequence
assi (resi 33   and name HN  ) (resi 34   and name HN  )  3.00  1.20  0.70
assi (resi 33   and name HA  ) (resi 34   and name HN  )  4.00  2.20  1.00
assi (resi 33   and name HB# ) (resi 34   and name HN  )  4.00  2.20  1.00
assi (resi 33   and name HB# ) (resi 34   and name HD# )  4.00  2.20  1.00
assi (resi 33   and name HB# ) (resi 34   and name HE# )  4.00  2.20  1.00
assi (resi 33   and name HE# ) (resi 34   and name HE# )  4.00  2.20  1.00
assi (resi 33   and name HG# ) (resi 34   and name HN  )  4.00  2.20  1.00
assi (resi 33   and name HD# ) (resi 34   and name HE# )  4.00  2.20  1.00

! residue 34   Tyr , intraresidue NOEs
assi (resi 34   and name HN  ) (resi 34   and name HA  )  3.00  1.20  0.50
assi (resi 34   and name HN  ) (resi 34   and name HB# )  3.00  1.20  0.50
assi (resi 34   and name HN  ) (resi 34   and name HD# )  4.00  2.20  1.00
assi (resi 34   and name HA  ) (resi 34   and name HB# )  3.00  1.20  0.30
assi (resi 34   and name HA  ) (resi 34   and name HD# )  4.00  2.20  1.00
assi (resi 34   and name HB# ) (resi 34   and name HD# )  4.00  2.20  1.00
assi (resi 34   and name HB# ) (resi 34   and name HE# )  4.00  2.20  1.00

! residue 34   Tyr , NOEs forward in sequence
assi (resi 34   and name HN  ) (resi 35   and name HN  )  2.50  0.70  0.60
assi (resi 34   and name HB# ) (resi 35   and name HN  )  4.00  2.20  1.00
assi (resi 34   and name HD# ) (resi 35   and name HN  )  4.00  2.20  1.00
assi (resi 34   and name HN  ) (resi 36   and name HG* )  4.00  2.20  1.50
assi (resi 34   and name HA  ) (resi 36   and name HN  )  4.00  2.20  1.00
assi (resi 34   and name HB# ) (resi 36   and name HG# )  4.00  2.20  1.50
assi (resi 34   and name HB# ) (resi 36   and name HN  )  4.00  2.20  1.00
assi (resi 34   and name HD# ) (resi 57   and name HG2#)  4.00  2.20  1.50
assi (resi 34   and name HD# ) (resi 61   and name HD*)  4.00  2.20  1.50
assi (resi 34   and name HE# ) (resi 61   and name HD*)  4.00  2.20  1.50
assi (resi 34   and name HB# ) (resi 64   and name HD*)  4.00  2.20  1.50

! residue 35   Gly , intraresidue NOEs
assi (resi 35   and name HN  ) (resi 35   and name HA# )  2.50  0.70  0.40

! residue 35   Gly , NOEs forward in sequence
assi (resi 35   and name HN  ) (resi 36   and name HN  )  4.00  2.20  1.00
assi (resi 35   and name HN  ) (resi 36   and name HG* )  4.00  2.20  1.50
assi (resi 35   and name HA# ) (resi 36   and name HN  )  4.00  2.20  1.00
assi (resi 35   and name HA# ) (resi 36   and name HG* )  4.00  2.20  1.50

! residue 36   Val , intraresidue NOEs
assi (resi 36   and name HN  ) (resi 36   and name HB  )  3.00  1.20  0.50
assi (resi 36   and name HN  ) (resi 36   and name HG*)  3.00  1.20  1.00
assi (resi 36   and name HA  ) (resi 36   and name HB  )  3.00  1.20  0.30
assi (resi 36   and name HA  ) (resi 36   and name HG*)  3.00  1.20  0.80

! residue 36   Val , NOEs forward in sequence
assi (resi 36   and name HN  ) (resi 37   and name HN  )  4.00  2.20  1.00
assi (resi 36   and name HA  ) (resi 37   and name HN  )  2.50  0.70  0.40
assi (resi 36   and name HB  ) (resi 37   and name HN  )  4.00  2.20  1.00
assi (resi 36   and name HG*) (resi 37   and name HN  )  4.00  4.00  1.50
assi (resi 36   and name HA  ) (resi 40   and name HD# )  4.00  2.20  1.00
assi (resi 36   and name HB  ) (resi 40   and name HB# )  4.00  2.20  1.00
assi (resi 36   and name HB  ) (resi 40   and name HD# )  4.00  2.20  1.00
assi (resi 36   and name HB  ) (resi 40   and name HE# )  4.00  2.20  1.00
assi (resi 36   and name HG*) (resi 40   and name HB# )  4.00  2.20  1.50
assi (resi 36   and name HG*) (resi 40   and name HD# )  4.00  2.20  1.50
assi (resi 36   and name HG*) (resi 40   and name HE# )  4.00  2.20  1.50
assi (resi 36   and name HG* ) (resi 40   and name HN  )  4.00  2.20  1.50
assi (resi 36   and name HG*) (resi 60   and name HG2#)  4.00  2.20  1.50
assi (resi 36   and name HG* ) (resi 61   and name HD* )  4.00  2.20  2.00
assi (resi 36   and name HG*) (resi 64   and name HG  )  4.00  2.20  1.50
assi (resi 36   and name HG* ) (resi 64   and name HD* )  4.00  2.20  2.00

! residue 37   Ser , intraresidue NOEs
assi (resi 37   and name HN  ) (resi 37   and name HB# )  4.00  2.20  1.00
assi (resi 37   and name HA  ) (resi 37   and name HB# )  3.00  1.20  0.30

! residue 37   Ser , NOEs forward in sequence
assi (resi 37   and name HA  ) (resi 38   and name HN  )  4.00  2.20  1.00
assi (resi 37   and name HB# ) (resi 38   and name HN  )  4.00  2.20  1.00
assi (resi 37   and name HN  ) (resi 40   and name HD# )  4.00  2.20  1.00

! residue 38   Asp , intraresidue NOEs
assi (resi 38   and name HN  ) (resi 38   and name HB# )  4.00  2.20  1.00
assi (resi 38   and name HA  ) (resi 38   and name HB# )  2.50  0.70  0.20

! residue 38   Asp , NOEs forward in sequence
assi (resi 38   and name HA  ) (resi 40   and name HN  )  4.00  2.20  1.00
assi (resi 38   and name HA  ) (resi 41   and name HN  )  4.00  2.20  1.00
assi (resi 38   and name HA  ) (resi 41   and name HB# )  3.00  1.20  0.30
assi (resi 38   and name HA  ) (resi 41   and name HG# )  4.00  2.20  1.00
assi (resi 38   and name HA  ) (resi 41   and name HD# )  4.00  2.20  1.00
assi (resi 38   and name HA  ) (resi 41   and name HE# )  4.00  2.20  1.00
assi (resi 38   and name HB# ) (resi 41   and name HN  )  4.00  2.20  1.00
assi (resi 38   and name HB# ) (resi 41   and name HB# )  4.00  2.20  1.00
assi (resi 38   and name HB# ) (resi 41   and name HD# )  4.00  2.20  1.00

! residue 39   Tyr , intraresidue NOEs
assi (resi 39   and name HA  ) (resi 39   and name HB# )  2.50  0.70  0.20
assi (resi 39   and name HA  ) (resi 39   and name HD# )  4.00  2.20  1.00
assi (resi 39   and name HA  ) (resi 39   and name HE# )  4.00  2.20  1.00
assi (resi 39   and name HB# ) (resi 39   and name HD# )  4.00  2.20  1.00
assi (resi 39   and name HB# ) (resi 39   and name HE# )  4.00  2.20  1.00

! residue 39   Tyr , NOEs forward in sequence
assi (resi 39   and name HB# ) (resi 40   and name HN  )  4.00  2.20  1.00
assi (resi 39   and name HD# ) (resi 40   and name HN  )  4.00  2.20  1.00
assi (resi 39   and name HD# ) (resi 40   and name HE# )  4.00  2.20  1.00
assi (resi 39   and name HE# ) (resi 40   and name HN  )  4.00  2.20  1.00
assi (resi 39   and name HE# ) (resi 40   and name HD# )  4.00  2.20  1.00
assi (resi 39   and name HE# ) (resi 40   and name HE# )  4.00  2.20  1.00
assi (resi 39   and name HA  ) (resi 41   and name HN  )  4.00  2.20  1.00
assi (resi 39   and name HA  ) (resi 42   and name HB# )  4.00  2.20  1.00
assi (resi 39   and name HD# ) (resi 43   and name HD* )  4.00  2.20  1.50
assi (resi 39   and name HE# ) (resi 43   and name HD*)  4.00  2.20  1.50

! residue 40   Tyr , intraresidue NOEs
assi (resi 40   and name HN  ) (resi 40   and name HA  )  3.00  1.20  0.50
assi (resi 40   and name HN  ) (resi 40   and name HB# )  3.00  1.20  0.50
assi (resi 40   and name HA  ) (resi 40   and name HB# )  3.00  1.20  0.30
assi (resi 40   and name HA  ) (resi 40   and name HD# )  4.00  2.20  1.00
assi (resi 40   and name HA  ) (resi 40   and name HE# )  4.00  2.20  1.00
assi (resi 40   and name HB# ) (resi 40   and name HD# )  4.00  2.20  1.00
assi (resi 40   and name HB# ) (resi 40   and name HE# )  4.00  2.20  1.00

! residue 40   Tyr , NOEs forward in sequence
assi (resi 40   and name HN  ) (resi 41   and name HN  )  3.00  1.20  0.70
assi (resi 40   and name HN  ) (resi 41   and name HB# )  4.00  2.20  1.00
assi (resi 40   and name HA  ) (resi 41   and name HN  )  4.00  2.20  1.00
assi (resi 40   and name HB# ) (resi 41   and name HN  )  4.00  2.20  1.00
assi (resi 40   and name HN  ) (resi 43   and name HB# )  4.00  2.20  1.00
assi (resi 40   and name HA  ) (resi 43   and name HN  )  4.00  2.20  1.00
assi (resi 40   and name HA  ) (resi 43   and name HB# )  4.00  2.20  1.00
assi (resi 40   and name HA  ) (resi 43   and name HG  )  4.00  2.20  1.00
assi (resi 40   and name HA  ) (resi 43   and name HD*)  4.00  2.20  1.50
assi (resi 40   and name HE# ) (resi 43   and name HD*)  4.00  2.20  1.50
assi (resi 40   and name HD# ) (resi 56   and name HD* )  4.00  2.20  1.50
assi (resi 40   and name HE# ) (resi 56   and name HD* )  4.00  2.20  1.50
assi (resi 40   and name HA  ) (resi 60   and name HD1#)  4.00  2.20  1.50
assi (resi 40   and name HB# ) (resi 60   and name HG2#)  4.00  2.20  1.50
assi (resi 40   and name HB# ) (resi 60   and name HD1#)  4.00  2.20  1.50
assi (resi 40   and name HD# ) (resi 60   and name HG1#)  4.00  2.20  1.00
assi (resi 40   and name HD# ) (resi 60   and name HG2#)  4.00  2.20  1.50
assi (resi 40   and name HD# ) (resi 60   and name HD1#)  4.00  2.20  1.50
assi (resi 40   and name HE# ) (resi 60   and name HG2#)  4.00  2.20  1.50
assi (resi 40   and name HE# ) (resi 60   and name HD1#)  4.00  2.20  1.50

! residue 41   Lys , intraresidue NOEs
assi (resi 41   and name HN  ) (resi 41   and name HA  )  3.00  1.20  0.50
assi (resi 41   and name HN  ) (resi 41   and name HB# )  3.00  1.20  0.50
assi (resi 41   and name HN  ) (resi 41   and name HG# )  2.50  0.70  0.40
assi (resi 41   and name HN  ) (resi 41   and name HD# )  4.00  2.20  1.00
assi (resi 41   and name HN  ) (resi 41   and name HE# )  4.00  2.20  1.00
assi (resi 41   and name HA  ) (resi 41   and name HG# )  4.00  2.20  1.00
assi (resi 41   and name HA  ) (resi 41   and name HB# )  3.00  1.20  0.30
assi (resi 41   and name HA  ) (resi 41   and name HD# )  4.00  2.20  1.00
assi (resi 41   and name HA  ) (resi 41   and name HE# )  4.00  2.20  1.00
assi (resi 41   and name HG# ) (resi 41   and name HE# )  4.00  2.20  1.00
assi (resi 41   and name HB# ) (resi 41   and name HG# )  2.50  0.70  0.20
assi (resi 41   and name HB# ) (resi 41   and name HD# )  3.00  1.20  0.30
assi (resi 41   and name HB# ) (resi 41   and name HE# )  4.00  2.20  1.00
assi (resi 41   and name HG# ) (resi 41   and name HD# )  2.50  0.70  0.20

! residue 41   Lys , NOEs forward in sequence
assi (resi 41   and name HN  ) (resi 42   and name HN  )  3.00  1.20  0.70
assi (resi 41   and name HN  ) (resi 42   and name HA  )  4.00  2.20  1.00
assi (resi 41   and name HN  ) (resi 42   and name HB# )  4.00  2.20  1.00
assi (resi 41   and name HA  ) (resi 42   and name HN  )  4.00  2.20  1.00
assi (resi 41   and name HB# ) (resi 42   and name HN  )  4.00  2.20  1.00
assi (resi 41   and name HB# ) (resi 42   and name HA  )  4.00  2.20  1.00
assi (resi 41   and name HG# ) (resi 42   and name HN  )  4.00  2.20  1.00
assi (resi 41   and name HD# ) (resi 42   and name HN  )  4.00  2.20  1.00
assi (resi 41   and name HE# ) (resi 42   and name HN  )  4.00  2.20  1.00
assi (resi 41   and name HA  ) (resi 44   and name HN  )  3.00  1.20  0.50
assi (resi 41   and name HA  ) (resi 44   and name HB  )  4.00  2.20  1.00
assi (resi 41   and name HA  ) (resi 44   and name HG1#)  4.00  2.20  1.00
assi (resi 41   and name HA  ) (resi 44   and name HG2#)  4.00  2.20  1.50
assi (resi 41   and name HA  ) (resi 44   and name HD1#)  4.00  2.20  1.50
assi (resi 41   and name HB# ) (resi 44   and name HG2#)  4.00  2.20  1.50
assi (resi 41   and name HA  ) (resi 57   and name HD1#)  4.00  2.20  1.50

! residue 42   Asn , intraresidue NOEs
assi (resi 42   and name HN  ) (resi 42   and name HA  )  3.00  1.20  0.50
assi (resi 42   and name HN  ) (resi 42   and name HB# )  4.00  2.20  1.00
assi (resi 42   and name HA  ) (resi 42   and name HB# )  3.00  1.20  0.30
assi (resi 42   and name HB# ) (resi 42   and name HD2#)  4.00  2.20  1.00

! residue 42   Asn , NOEs forward in sequence
assi (resi 42   and name HN  ) (resi 43   and name HN  )  4.00  2.20  1.00
assi (resi 42   and name HA  ) (resi 43   and name HN  )  4.00  2.20  1.00
assi (resi 42   and name HB# ) (resi 43   and name HN  )  4.00  2.20  1.00
assi (resi 42   and name HB# ) (resi 43   and name HB# )  4.00  2.20  1.00
assi (resi 42   and name HA  ) (resi 44   and name HB  )  4.00  2.20  1.00
assi (resi 42   and name HA  ) (resi 45   and name HD2#)  4.00  2.20  1.00
assi (resi 42   and name HA  ) (resi 45   and name HB# )  2.50  0.70  0.20

! residue 43   Leu , intraresidue NOEs
assi (resi 43   and name HN  ) (resi 43   and name HA  )  3.00  1.20  0.50
assi (resi 43   and name HN  ) (resi 43   and name HB# )  2.50  0.70  0.40
assi (resi 43   and name HN  ) (resi 43   and name HG  )  4.00  2.20  1.00
assi (resi 43   and name HN  ) (resi 43   and name HD* )  4.00  2.20  1.50
assi (resi 43   and name HA  ) (resi 43   and name HB# )  3.00  1.20  0.30
assi (resi 43   and name HA  ) (resi 43   and name HG  )  3.00  1.20  0.30
assi (resi 43   and name HA  ) (resi 43   and name HD*)  2.50  0.70  0.20
assi (resi 43   and name HB# ) (resi 43   and name HD* )  2.50  0.70  0.70
assi (resi 43   and name HB# ) (resi 43   and name HG  )  2.50  0.70  0.20

! residue 43   Leu , NOEs forward in sequence
assi (resi 43   and name HN  ) (resi 44   and name HN  )  2.50  0.70  0.60
assi (resi 43   and name HN  ) (resi 44   and name HB  )  4.00  2.20  1.00
assi (resi 43   and name HA  ) (resi 44   and name HN  )  4.00  2.20  1.00
assi (resi 43   and name HB# ) (resi 44   and name HN  )  3.00  1.20  0.50
assi (resi 43   and name HB# ) (resi 44   and name HA  )  4.00  2.20  1.00
assi (resi 43   and name HD* ) (resi 44   and name HN  )  4.00  2.20  1.50
assi (resi 43   and name HB# ) (resi 45   and name HN  )  4.00  2.20  1.00
assi (resi 43   and name HA  ) (resi 46   and name HN  )  4.00  2.20  1.00
assi (resi 43   and name HA  ) (resi 46   and name HB# )  4.00  2.20  1.00

! residue 44   Ile , intraresidue NOEs
assi (resi 44   and name HN  ) (resi 44   and name HA  )  3.00  1.20  0.50
assi (resi 44   and name HN  ) (resi 44   and name HB  )  2.50  0.70  0.40
assi (resi 44   and name HN  ) (resi 44   and name HG1#)  4.00  2.20  1.00
assi (resi 44   and name HN  ) (resi 44   and name HG2#)  3.00  1.20  1.00
assi (resi 44   and name HN  ) (resi 44   and name HD1#)  4.00  2.20  1.50
assi (resi 44   and name HA  ) (resi 44   and name HG1#)  4.00  2.20  1.00
assi (resi 44   and name HA  ) (resi 44   and name HG2#)  3.00  1.20  0.80
assi (resi 44   and name HA  ) (resi 44   and name HD1#)  3.00  1.20  0.80
assi (resi 44   and name HB  ) (resi 44   and name HD1#)  4.00  2.20  1.50
assi (resi 44   and name HG1#) (resi 44   and name HG2#)  3.00  1.20  0.80
assi (resi 44   and name HG1#) (resi 44   and name HG2#)  3.00  1.20  0.80
assi (resi 44   and name HG2#) (resi 44   and name HD1#)  2.50  0.70  1.20

! residue 44   Ile , NOEs forward in sequence
assi (resi 44   and name HN  ) (resi 45   and name HN  )  2.50  0.70  0.60
assi (resi 44   and name HA  ) (resi 45   and name HN  )  4.00  2.20  1.00
assi (resi 44   and name HB  ) (resi 45   and name HN  )  3.00  1.20  0.50
assi (resi 44   and name HG2#) (resi 45   and name HN  )  4.00  2.20  1.50
assi (resi 44   and name HG2#) (resi 45   and name HA  )  4.00  2.20  1.50
assi (resi 44   and name HG2#) (resi 45   and name HB# )  4.00  2.20  1.50
assi (resi 44   and name HA  ) (resi 46   and name HN  )  4.00  2.20  1.00
assi (resi 44   and name HA  ) (resi 47   and name HN  )  4.00  2.20  1.00
assi (resi 44   and name HA  ) (resi 53   and name HG2#)  4.00  2.20  1.50
assi (resi 44   and name HG2#) (resi 53   and name HG2#)  2.50  0.70  1.20
assi (resi 44   and name HD1#) (resi 53   and name HA  )  4.00  2.20  1.50
assi (resi 44   and name HA  ) (resi 56   and name HD* )  3.00  1.20  0.80
assi (resi 44   and name HD1#) (resi 56   and name HB# )  3.00  1.20  0.80
assi (resi 44   and name HB  ) (resi 57   and name HD1#)  4.00  2.20  1.50
assi (resi 44   and name HG2#) (resi 57   and name HG1#)  4.00  2.20  1.50
assi (resi 44   and name HD1#) (resi 57   and name HN  )  4.00  2.20  1.50
assi (resi 44   and name HD1#) (resi 57   and name HG1#)  4.00  2.20  1.50
assi (resi 44   and name HD1#) (resi 60   and name HG1#)  4.00  2.20  1.50

! residue 45   Asn , intraresidue NOEs
assi (resi 45   and name HN  ) (resi 45   and name HA  )  3.00  1.20  0.50
assi (resi 45   and name HN  ) (resi 45   and name HB# )  2.50  0.70  0.40
assi (resi 45   and name HN  ) (resi 45   and name HD2#)  4.00  2.20  1.00
assi (resi 45   and name HA  ) (resi 45   and name HB# )  2.50  0.70  0.20
assi (resi 45   and name HD2#) (resi 45   and name HB# )  3.00  1.20  0.30

! residue 45   Asn , NOEs forward in sequence
assi (resi 45   and name HN  ) (resi 46   and name HN  )  3.00  1.20  0.70
assi (resi 45   and name HA  ) (resi 46   and name HN  )  4.00  2.20  1.00
assi (resi 45   and name HB# ) (resi 46   and name HN  )  3.00  1.20  0.50
assi (resi 45   and name HA  ) (resi 47   and name HN  )  4.00  2.20  1.00
assi (resi 45   and name HB# ) (resi 47   and name HN  )  4.00  2.20  1.00

! residue 46   Asn , intraresidue NOEs
assi (resi 46   and name HN  ) (resi 46   and name HB# )  2.50  0.70  0.40
assi (resi 46   and name HB# ) (resi 46   and name HD2#)  4.00  2.20  1.00

! residue 46   Asn , NOEs forward in sequence
assi (resi 46   and name HN  ) (resi 47   and name HN  )  2.50  0.70  0.60
assi (resi 46   and name HN  ) (resi 47   and name HB# )  4.00  2.20  1.50
assi (resi 46   and name HA  ) (resi 47   and name HN  )  4.00  2.20  1.00
assi (resi 46   and name HB# ) (resi 47   and name HN  )  4.00  2.20  1.00
assi (resi 46   and name HN  ) (resi 56   and name HD* )  4.00  2.20  1.50

! residue 47   Ala , intraresidue NOEs
assi (resi 47   and name HN  ) (resi 47   and name HA  )  3.00  1.20  0.50
assi (resi 47   and name HN  ) (resi 47   and name HB# )  2.50  0.70  0.70

! residue 47   Ala , NOEs forward in sequence
assi (resi 47   and name HA  ) (resi 49   and name HN  )  4.00  2.20  1.00
assi (resi 47   and name HB# ) (resi 49   and name HN  )  3.00  1.20  1.00
assi (resi 47   and name HA  ) (resi 53   and name HG*)  4.00  2.20  1.50
assi (resi 47   and name HB# ) (resi 53   and name HN  )  4.00  2.20  1.50
assi (resi 47   and name HB# ) (resi 53   and name HA  )  3.00  1.20  0.80
assi (resi 47   and name HB# ) (resi 53   and name HG*)  2.50  0.70  1.20

! residue 48   Lys , intraresidue NOEs
assi (resi 48   and name HA  ) (resi 48   and name HB# )  3.00  1.20  0.30
assi (resi 48   and name HA  ) (resi 48   and name HG# )  4.00  2.20  1.00
assi (resi 48   and name HA  ) (resi 48   and name HD# )  4.00  2.20  1.00
assi (resi 48   and name HG# ) (resi 48   and name HE# )  4.00  2.20  1.00
assi (resi 48   and name HB# ) (resi 48   and name HD# )  3.00  1.20  0.30

! residue 48   Lys , NOEs forward in sequence
assi (resi 48   and name HA  ) (resi 49   and name HN  )  4.00  2.20  1.00
assi (resi 48   and name HA  ) (resi 49   and name HG2#)  4.00  2.20  1.50
assi (resi 48   and name HB# ) (resi 49   and name HN  )  4.00  2.20  1.00
assi (resi 48   and name HB# ) (resi 49   and name HG2#)  4.00  2.20  1.50

! residue 49   Thr , intraresidue NOEs
assi (resi 49   and name HN  ) (resi 49   and name HG2#)  4.00  2.20  1.50
assi (resi 49   and name HA  ) (resi 49   and name HG2#)  3.00  1.20  0.80

! residue 49   Thr , NOEs forward in sequence
assi (resi 49   and name HA  ) (resi 50   and name HN  )  3.00  1.20  0.50
assi (resi 49   and name HB  ) (resi 50   and name HN  )  4.00  2.20  1.00
assi (resi 49   and name HG2#) (resi 50   and name HN  )  4.00  2.20  1.50
assi (resi 49   and name HB  ) (resi 51   and name HN  )  4.00  2.20  1.00
assi (resi 49   and name HG2#) (resi 51   and name HN  )  4.00  2.20  1.50
assi (resi 49   and name HN  ) (resi 52   and name HN  )  4.00  2.20  1.00
assi (resi 49   and name HN  ) (resi 52   and name HA# )  4.00  2.20  1.00
assi (resi 49   and name HB  ) (resi 52   and name HN  )  4.00  2.20  1.00
assi (resi 49   and name HG2#) (resi 52   and name HN  )  4.00  2.20  1.50
assi (resi 49   and name HG2#) (resi 52   and name HA# )  4.00  2.20  1.50
assi (resi 49   and name HN  ) (resi 53   and name HG*)  4.00  2.20  1.50
assi (resi 49   and name HG2#) (resi 53   and name HG*)  4.00  2.20  1.50

! residue 50   Val , intraresidue NOEs
assi (resi 50   and name HN  ) (resi 50   and name HB  )  4.00  2.20  1.00
assi (resi 50   and name HN  ) (resi 50   and name HG*)  4.00  2.20  1.50
assi (resi 50   and name HA  ) (resi 50   and name HG* )  2.50  0.70  0.70

! residue 50   Val , NOEs forward in sequence
assi (resi 50   and name HN  ) (resi 51   and name HN  )  4.00  2.20  1.00
assi (resi 50   and name HA  ) (resi 51   and name HN  )  4.00  2.20  1.00
assi (resi 50   and name HB  ) (resi 51   and name HN  )  4.00  2.20  1.00
assi (resi 50   and name HG*) (resi 51   and name HN  )  4.00  2.20  1.50
assi (resi 50   and name HG* ) (resi 51   and name HA  )  4.00  2.20  1.50
assi (resi 50   and name HA  ) (resi 52   and name HN  )  4.00  2.20  1.00
assi (resi 50   and name HA  ) (resi 53   and name HN  )  4.00  2.20  1.00
assi (resi 50   and name HA  ) (resi 53   and name HB  )  4.00  2.20  1.00
assi (resi 50   and name HA  ) (resi 53   and name HG*)  2.50  0.70  0.70
assi (resi 50   and name HB  ) (resi 53   and name HN  )  4.00  2.20  1.00
assi (resi 50   and name HG* ) (resi 54   and name HN  )  4.00  2.20  1.50
assi (resi 50   and name HG* ) (resi 54   and name HG# )  4.00  2.20  1.50
assi (resi 50   and name HG* ) (resi 54   and name HE# )  4.00  2.20  1.50

! residue 51   Glu , intraresidue NOEs
assi (resi 51   and name HN  ) (resi 51   and name HB# )  3.00  1.20  0.50
assi (resi 51   and name HN  ) (resi 51   and name HG# )  4.00  2.20  1.00
assi (resi 51   and name HA  ) (resi 51   and name HB# )  3.00  1.20  0.30
assi (resi 51   and name HA  ) (resi 51   and name HG# )  4.00  2.20  1.00
assi (resi 51   and name HB# ) (resi 51   and name HG# )  3.00  1.20  0.30
assi (resi 51   and name HB# ) (resi 51   and name HG# )  2.50  0.70  1.20

! residue 51   Glu , NOEs forward in sequence
assi (resi 51   and name HN  ) (resi 52   and name HN  )  4.00  2.20  1.00
assi (resi 51   and name HN  ) (resi 52   and name HA# )  4.00  2.20  1.00
assi (resi 51   and name HA  ) (resi 52   and name HN  )  3.00  1.20  0.50
assi (resi 51   and name HB# ) (resi 52   and name HN  )  4.00  2.20  1.00
assi (resi 51   and name HB# ) (resi 52   and name HA# )  4.00  2.20  1.00
assi (resi 51   and name HG# ) (resi 52   and name HN  )  4.00  2.20  1.00
assi (resi 51   and name HN  ) (resi 53   and name HN  )  4.00  2.20  1.00
assi (resi 51   and name HA  ) (resi 53   and name HN  )  4.00  2.20  1.00
assi (resi 51   and name HA  ) (resi 54   and name HN  )  4.00  2.20  1.00
assi (resi 51   and name HA  ) (resi 54   and name HB# )  4.00  2.20  1.00
assi (resi 51   and name HA  ) (resi 54   and name HD# )  4.00  2.20  2.00
assi (resi 51   and name HA  ) (resi 55   and name HN  )  4.00  2.20  1.00

! residue 52   Gly , intraresidue NOEs
assi (resi 52   and name HN  ) (resi 52   and name HA# )  2.50  0.70  0.20

! residue 52   Gly , NOEs forward in sequence
assi (resi 52   and name HN  ) (resi 53   and name HN  )  3.00  1.20  0.70
assi (resi 52   and name HN  ) (resi 53   and name HG*)  4.00  2.20  1.50
assi (resi 52   and name HA# ) (resi 53   and name HN  )  3.00  1.20  0.50
assi (resi 52   and name HA# ) (resi 53   and name HB  )  4.00  2.20  1.00
assi (resi 52   and name HA# ) (resi 53   and name HG*)  4.00  2.20  1.50
assi (resi 52   and name HN  ) (resi 55   and name HB# )  4.00  2.20  1.50
assi (resi 52   and name HA# ) (resi 55   and name HN  )  4.00  2.20  1.00
assi (resi 52   and name HA# ) (resi 55   and name HB# )  3.00  1.20  0.80
assi (resi 52   and name HA# ) (resi 56   and name HN  )  4.00  2.20  1.00

! residue 53   Val , intraresidue NOEs
assi (resi 53   and name HN  ) (resi 53   and name HA  )  3.00  1.20  0.50
assi (resi 53   and name HN  ) (resi 53   and name HB  )  2.50  0.70  0.40
assi (resi 53   and name HN  ) (resi 53   and name HG*)  2.50  0.70  0.70
assi (resi 53   and name HA  ) (resi 53   and name HB  )  3.00  1.20  0.30
assi (resi 53   and name HA  ) (resi 53   and name HG*)  2.50  0.70  0.70

! residue 53   Val , NOEs forward in sequence
assi (resi 53   and name HN  ) (resi 54   and name HN  )  3.00  1.20  0.70
assi (resi 53   and name HA  ) (resi 54   and name HN  )  4.00  2.20  1.00
assi (resi 53   and name HB  ) (resi 54   and name HN  )  3.00  1.20  0.50
assi (resi 53   and name HG*) (resi 54   and name HN  )  4.00  2.20  1.50
assi (resi 53   and name HG*) (resi 54   and name HA  )  4.00  2.20  1.50
assi (resi 53   and name HA  ) (resi 56   and name HN  )  4.00  2.20  1.00
assi (resi 53   and name HA  ) (resi 56   and name HB# )  4.00  2.20  1.00
assi (resi 53   and name HA  ) (resi 56   and name HD*)  4.00  2.20  1.50
assi (resi 53   and name HA  ) (resi 57   and name HN  )  4.00  2.20  1.00

! residue 54   Lys , intraresidue NOEs
assi (resi 54   and name HN  ) (resi 54   and name HA  )  3.00  1.20  0.50
assi (resi 54   and name HN  ) (resi 54   and name HB# )  3.00  1.20  0.50
assi (resi 54   and name HN  ) (resi 54   and name HG# )  4.00  2.20  1.00
assi (resi 54   and name HA  ) (resi 54   and name HB# )  3.00  1.20  0.30
assi (resi 54   and name HA  ) (resi 54   and name HG# )  4.00  2.20  1.00
assi (resi 54   and name HG# ) (resi 54   and name HB# )  3.00  1.20  0.30
assi (resi 54   and name HG# ) (resi 54   and name HE# )  4.00  2.20  1.00
assi (resi 54   and name HB# ) (resi 54   and name HE# )  4.00  2.20  1.00

! residue 54   Lys , NOEs forward in sequence
assi (resi 54   and name HN  ) (resi 55   and name HN  )  2.50  0.70  0.60
assi (resi 54   and name HA  ) (resi 55   and name HN  )  4.00  2.20  1.00
assi (resi 54   and name HB# ) (resi 55   and name HN  )  3.00  1.20  0.50
assi (resi 54   and name HA  ) (resi 57   and name HN  )  4.00  2.20  1.00
assi (resi 54   and name HA  ) (resi 57   and name HB  )  4.00  2.20  1.00
assi (resi 54   and name HA  ) (resi 57   and name HG1#)  4.00  2.20  1.00
assi (resi 54   and name HA  ) (resi 57   and name HG2#)  4.00  2.20  1.50
assi (resi 54   and name HA  ) (resi 57   and name HD1#)  4.00  2.20  1.50

! residue 55   Ala , intraresidue NOEs
assi (resi 55   and name HN  ) (resi 55   and name HA  )  2.50  0.70  0.40
assi (resi 55   and name HN  ) (resi 55   and name HB# )  2.50  0.70  0.20

! residue 55   Ala , NOEs forward in sequence
assi (resi 55   and name HN  ) (resi 56   and name HN  )  2.50  0.70  0.60
assi (resi 55   and name HA  ) (resi 56   and name HN  )  4.00  2.20  1.00
assi (resi 55   and name HB# ) (resi 56   and name HN  )  2.50  0.70  0.70
assi (resi 55   and name HB# ) (resi 56   and name HA  )  4.00  2.20  1.50
assi (resi 55   and name HB# ) (resi 56   and name HB# )  4.00  2.20  1.50
assi (resi 55   and name HA  ) (resi 58   and name HN  )  4.00  2.20  1.00
assi (resi 55   and name HA  ) (resi 58   and name HB# )  4.00  2.20  1.00
assi (resi 55   and name HA  ) (resi 59   and name HG# )  4.00  2.20  1.00

! residue 56   Leu , intraresidue NOEs
assi (resi 56   and name HN  ) (resi 56   and name HA  )  2.50  0.70  0.40
assi (resi 56   and name HN  ) (resi 56   and name HB# )  2.50  0.70  0.40
assi (resi 56   and name HN  ) (resi 56   and name HG  )  4.00  2.20  1.00
assi (resi 56   and name HN  ) (resi 56   and name HD*)  3.00  1.20  0.80
assi (resi 56   and name HA  ) (resi 56   and name HB# )  3.00  1.20  0.30
assi (resi 56   and name HA  ) (resi 56   and name HG  )  4.00  2.20  1.00
assi (resi 56   and name HA  ) (resi 56   and name HD* )  4.00  2.20  1.50
assi (resi 56   and name HB# ) (resi 56   and name HG  )  3.00  1.20  0.30
assi (resi 56   and name HB# ) (resi 56   and name HD*)  3.00  1.20  0.80
assi (resi 56   and name HB# ) (resi 56   and name HG  )  3.00  1.20  0.30
assi (resi 56   and name HB# ) (resi 56   and name HD* )  4.00  2.20  1.50

! residue 56   Leu , NOEs forward in sequence
assi (resi 56   and name HN  ) (resi 57   and name HN  )  3.00  1.20  0.70
assi (resi 56   and name HA  ) (resi 57   and name HN  )  4.00  2.20  1.00
assi (resi 56   and name HB# ) (resi 57   and name HN  )  4.00  2.20  1.00
assi (resi 56   and name HN  ) (resi 58   and name HN  )  3.00  1.20  0.70
assi (resi 56   and name HA  ) (resi 59   and name HB# )  4.00  2.20  1.00
assi (resi 56   and name HA  ) (resi 59   and name HG# )  4.00  2.20  1.00
assi (resi 56   and name HB# ) (resi 59   and name HB# )  4.00  2.20  1.00
assi (resi 56   and name HD* ) (resi 59   and name HB# )  4.00  2.20  1.50
assi (resi 56   and name HN  ) (resi 60   and name HD1#)  4.00  2.20  1.50
assi (resi 56   and name HA  ) (resi 60   and name HN  )  4.00  2.20  1.00
assi (resi 56   and name HB# ) (resi 60   and name HD1#)  4.00  2.20  1.50

! residue 57   Ile , intraresidue NOEs
assi (resi 57   and name HN  ) (resi 57   and name HA  )  3.00  1.20  0.50
assi (resi 57   and name HN  ) (resi 57   and name HB  )  2.50  0.70  0.40
assi (resi 57   and name HN  ) (resi 57   and name HG1#)  4.00  2.20  1.00
assi (resi 57   and name HN  ) (resi 57   and name HG2#)  4.00  2.20  1.50
assi (resi 57   and name HN  ) (resi 57   and name HD1#)  4.00  2.20  1.50
assi (resi 57   and name HA  ) (resi 57   and name HG1#)  4.00  2.20  1.00
assi (resi 57   and name HA  ) (resi 57   and name HG2#)  4.00  2.20  1.50
assi (resi 57   and name HA  ) (resi 57   and name HD1#)  3.00  1.20  0.80
assi (resi 57   and name HB  ) (resi 57   and name HD1#)  4.00  2.20  1.50
assi (resi 57   and name HG1#) (resi 57   and name HG2#)  4.00  2.20  1.50
assi (resi 57   and name HG2#) (resi 57   and name HD1#)  2.50  0.70  1.20

! residue 57   Ile , NOEs forward in sequence
assi (resi 57   and name HN  ) (resi 58   and name HN  )  2.50  0.70  0.60
assi (resi 57   and name HA  ) (resi 58   and name HN  )  4.00  2.20  1.00
assi (resi 57   and name HB  ) (resi 58   and name HN  )  2.50  0.70  0.40
assi (resi 57   and name HG2#) (resi 58   and name HN  )  4.00  2.20  1.50
assi (resi 57   and name HG2#) (resi 58   and name HA  )  4.00  2.20  1.50
assi (resi 57   and name HA  ) (resi 59   and name HN  )  4.00  2.20  1.00
assi (resi 57   and name HB  ) (resi 59   and name HN  )  4.00  2.20  1.00
assi (resi 57   and name HN  ) (resi 60   and name HN  )  4.00  2.20  1.00
assi (resi 57   and name HA  ) (resi 60   and name HN  )  4.00  2.20  1.00
assi (resi 57   and name HA  ) (resi 60   and name HB  )  3.00  1.20  0.30
assi (resi 57   and name HA  ) (resi 60   and name HG2#)  4.00  2.20  1.50
assi (resi 57   and name HA  ) (resi 60   and name HD1#)  3.00  1.20  0.80
assi (resi 57   and name HD1#) (resi 60   and name HB  )  4.00  2.20  1.50
assi (resi 57   and name HD1#) (resi 60   and name HG2#)  4.00  2.20  2.00
assi (resi 57   and name HA  ) (resi 61   and name HN  )  4.00  2.20  1.00
assi (resi 57   and name HB  ) (resi 61   and name HB# )  4.00  2.20  1.00
assi (resi 57   and name HG2#) (resi 61   and name HN  )  4.00  2.20  1.50
assi (resi 57   and name HG2#) (resi 61   and name HD* )  3.00  1.20  1.30

! residue 58   Asp , intraresidue NOEs
assi (resi 58   and name HN  ) (resi 58   and name HA  )  3.00  1.20  0.50
assi (resi 58   and name HN  ) (resi 58   and name HB# )  3.00  1.20  0.50
assi (resi 58   and name HA  ) (resi 58   and name HB# )  2.50  0.70  0.20

! residue 58   Asp , NOEs forward in sequence
assi (resi 58   and name HN  ) (resi 59   and name HN  )  3.00  1.20  0.70
assi (resi 58   and name HN  ) (resi 59   and name HB# )  4.00  2.20  1.00
assi (resi 58   and name HA  ) (resi 59   and name HN  )  4.00  2.20  1.00
assi (resi 58   and name HB# ) (resi 59   and name HN  )  4.00  2.20  1.00
assi (resi 58   and name HB# ) (resi 59   and name HA  )  4.00  2.20  1.00
assi (resi 58   and name HB# ) (resi 59   and name HG# )  4.00  2.20  1.00
assi (resi 58   and name HN  ) (resi 60   and name HN  )  4.00  2.20  1.00
assi (resi 58   and name HA  ) (resi 61   and name HN  )  4.00  2.20  1.00
assi (resi 58   and name HA  ) (resi 61   and name HB# )  4.00  2.20  1.00
assi (resi 58   and name HA  ) (resi 61   and name HD* )  4.00  2.20  1.50
assi (resi 58   and name HA  ) (resi 62   and name HN  )  4.00  2.20  1.00

! residue 59   Glu , intraresidue NOEs
assi (resi 59   and name HN  ) (resi 59   and name HA  )  2.50  0.70  0.40
assi (resi 59   and name HN  ) (resi 59   and name HG# )  4.00  2.20  1.00
assi (resi 59   and name HN  ) (resi 59   and name HB# )  2.50  0.70  0.40
assi (resi 59   and name HA  ) (resi 59   and name HB# )  2.50  0.70  0.20
assi (resi 59   and name HA  ) (resi 59   and name HG# )  4.00  2.20  1.00
assi (resi 59   and name HB# ) (resi 59   and name HG# )  2.50  0.70  0.20

! residue 59   Glu , NOEs forward in sequence
assi (resi 59   and name HN  ) (resi 60   and name HN  )  3.00  1.20  0.70
assi (resi 59   and name HN  ) (resi 60   and name HA  )  4.00  2.20  1.00
assi (resi 59   and name HA  ) (resi 60   and name HN  )  4.00  2.20  1.00
assi (resi 59   and name HA  ) (resi 60   and name HG1#)  4.00  2.20  1.00
assi (resi 59   and name HB# ) (resi 60   and name HN  )  3.00  1.20  0.50
assi (resi 59   and name HB# ) (resi 60   and name HA  )  4.00  2.20  1.00
assi (resi 59   and name HB# ) (resi 60   and name HD1#)  4.00  2.20  1.50
assi (resi 59   and name HB# ) (resi 60   and name HG1#)  4.00  2.20  1.00
assi (resi 59   and name HG# ) (resi 60   and name HN  )  4.00  2.20  1.00
assi (resi 59   and name HN  ) (resi 61   and name HN  )  4.00  2.20  1.00
assi (resi 59   and name HA  ) (resi 62   and name HN  )  4.00  2.20  1.00
assi (resi 59   and name HA  ) (resi 62   and name HB# )  3.00  1.20  0.80
assi (resi 59   and name HB# ) (resi 62   and name HB# )  4.00  2.20  1.50
assi (resi 59   and name HG# ) (resi 62   and name HB# )  4.00  2.20  1.50

! residue 60   Ile , intraresidue NOEs
assi (resi 60   and name HN  ) (resi 60   and name HA  )  3.00  1.20  0.50
assi (resi 60   and name HN  ) (resi 60   and name HB  )  2.50  0.70  0.40
assi (resi 60   and name HN  ) (resi 60   and name HG2#)  3.00  1.20  0.80
assi (resi 60   and name HN  ) (resi 60   and name HD1#)  4.00  4.00  1.80
assi (resi 60   and name HN  ) (resi 60   and name HG1#)  2.50  0.70  0.40
assi (resi 60   and name HA  ) (resi 60   and name HB  )  3.00  1.20  0.30
assi (resi 60   and name HA  ) (resi 60   and name HG2#)  2.50  0.70  0.70
assi (resi 60   and name HA  ) (resi 60   and name HD1#)  4.00  2.20  1.50
assi (resi 60   and name HA  ) (resi 60   and name HG1#)  3.00  1.20  0.30
assi (resi 60   and name HB  ) (resi 60   and name HD1#)  2.50  0.70  0.70
assi (resi 60   and name HG2#) (resi 60   and name HG1#)  2.50  0.70  0.70

! residue 60   Ile , NOEs forward in sequence
assi (resi 60   and name HA  ) (resi 61   and name HN  )  4.00  2.20  1.00
assi (resi 60   and name HB  ) (resi 61   and name HN  )  2.50  0.70  0.40
assi (resi 60   and name HG2#) (resi 61   and name HN  )  4.00  2.20  1.50
assi (resi 60   and name HG2#) (resi 61   and name HA  )  4.00  2.20  1.50
assi (resi 60   and name HA  ) (resi 62   and name HN  )  4.00  2.20  1.00
assi (resi 60   and name HA  ) (resi 63   and name HN  )  4.00  2.20  1.00
assi (resi 60   and name HA  ) (resi 63   and name HB# )  4.00  2.20  1.50

! residue 61   Leu , intraresidue NOEs
assi (resi 61   and name HN  ) (resi 61   and name HA  )  3.00  1.20  0.50
assi (resi 61   and name HN  ) (resi 61   and name HB# )  2.50  0.70  0.40
assi (resi 61   and name HN  ) (resi 61   and name HG  )  4.00  2.20  1.00
assi (resi 61   and name HN  ) (resi 61   and name HD*)  4.00  2.20  1.50
assi (resi 61   and name HA  ) (resi 61   and name HB# )  3.00  1.20  0.30
assi (resi 61   and name HA  ) (resi 61   and name HG  )  4.00  2.20  1.00
assi (resi 61   and name HA  ) (resi 61   and name HD* )  4.00  2.20  1.50
assi (resi 61   and name HB# ) (resi 61   and name HD*)  3.00  1.20  0.80

! residue 61   Leu , NOEs forward in sequence
assi (resi 61   and name HN  ) (resi 62   and name HN  )  3.00  1.20  0.70
assi (resi 61   and name HN  ) (resi 62   and name HB# )  4.00  2.20  1.50
assi (resi 61   and name HA  ) (resi 62   and name HN  )  4.00  2.20  1.00
assi (resi 61   and name HB# ) (resi 62   and name HN  )  4.00  2.20  1.00
assi (resi 61   and name HB# ) (resi 62   and name HA  )  4.00  2.20  1.00
assi (resi 61   and name HD*) (resi 62   and name HN  )  4.00  2.20  1.50
assi (resi 61   and name HN  ) (resi 63   and name HN  )  4.00  2.20  1.00
assi (resi 61   and name HA  ) (resi 63   and name HN  )  4.00  2.20  1.00
assi (resi 61   and name HA  ) (resi 64   and name HN  )  4.00  2.20  1.00
assi (resi 61   and name HA  ) (resi 64   and name HB# )  4.00  2.20  1.00
assi (resi 61   and name HA  ) (resi 64   and name HG  )  4.00  2.20  1.00
assi (resi 61   and name HA  ) (resi 64   and name HD* )  4.00  2.20  1.50
assi (resi 61   and name HD* ) (resi 64   and name HN  )  4.00  2.20  1.50
assi (resi 61   and name HD* ) (resi 64   and name HG  )  4.00  2.20  1.50

! residue 62   Ala , intraresidue NOEs
assi (resi 62   and name HN  ) (resi 62   and name HA  )  3.00  1.20  0.50
assi (resi 62   and name HN  ) (resi 62   and name HB# )  2.50  0.70  0.90

! residue 62   Ala , NOEs forward in sequence
assi (resi 62   and name HN  ) (resi 63   and name HN  )  3.00  1.20  0.70
assi (resi 62   and name HA  ) (resi 63   and name HN  )  4.00  2.20  1.00
assi (resi 62   and name HB# ) (resi 63   and name HN  )  3.00  1.20  0.80
assi (resi 62   and name HN  ) (resi 64   and name HN  )  4.00  2.20  1.00
assi (resi 62   and name HA  ) (resi 64   and name HN  )  4.00  2.20  1.00

! residue 63   Ala , intraresidue NOEs
assi (resi 63   and name HN  ) (resi 63   and name HA  )  3.00  1.20  0.50
assi (resi 63   and name HN  ) (resi 63   and name HB# )  2.50  0.70  0.90

! residue 63   Ala , NOEs forward in sequence
assi (resi 63   and name HN  ) (resi 64   and name HG  )  4.00  2.20  1.00
assi (resi 63   and name HN  ) (resi 64   and name HB# )  4.00  2.20  1.00
assi (resi 63   and name HB# ) (resi 64   and name HN  )  3.00  1.20  0.80

! residue 64   Leu , intraresidue NOEs
assi (resi 64   and name HN  ) (resi 64   and name HB# )  3.00  1.20  0.50
assi (resi 64   and name HN  ) (resi 64   and name HG  )  3.00  1.20  0.50
assi (resi 64   and name HN  ) (resi 64   and name HD* )  4.00  2.20  1.50
assi (resi 64   and name HA  ) (resi 64   and name HG  )  4.00  2.20  1.00
assi (resi 64   and name HA  ) (resi 64   and name HD*)  4.00  2.20  1.50
assi (resi 64   and name HB# ) (resi 64   and name HD*)  4.00  2.20  1.50
assi (resi 64   and name HG  ) (resi 64   and name HB# )  3.00  1.20  0.80

! residue 64   Leu , NOEs forward in sequence
assi (resi 64   and name HN  ) (resi 65   and name HD# )  4.00  2.20  1.00
assi (resi 64   and name HA  ) (resi 65   and name HD# )  2.50  0.70  0.20
assi (resi 64   and name HA  ) (resi 65   and name HG# )  4.00  2.20  1.00
assi (resi 64   and name HB# ) (resi 65   and name HD# )  4.00  2.20  1.00
assi (resi 64   and name HD*) (resi 65   and name HD# )  4.00  2.20  1.50
assi (resi 64   and name HB# ) (resi 65   and name HD# )  4.00  2.20  1.00
assi (resi 64   and name HD* ) (resi 65   and name HD# )  4.00  2.20  1.50

! residue 65   Pro , intraresidue NOEs
assi (resi 65   and name HA  ) (resi 65   and name HB# )  3.00  1.20  0.30
assi (resi 65   and name HA  ) (resi 65   and name HG# )  4.00  2.20  1.00
assi (resi 65   and name HA  ) (resi 65   and name HD# )  4.00  2.20  1.00
assi (resi 65   and name HB# ) (resi 65   and name HD# )  4.00  2.20  2.00
assi (resi 65   and name HD# ) (resi 65   and name HG# )  3.00  1.20  0.30
assi (resi 65   and name HB# ) (resi 65   and name HG# )  2.50  0.70  0.20
assi (resi 65   and name HB# ) (resi 65   and name HD# )  4.00  2.20  2.00

!Dihedral angle constraints

!Phi-angle constraints

! 21 Ala: 3.5
    assi (resid 20 and name C ) (resid 21 and name N)
         (resid 21 and name CA) (resid 21 and name C) 1.0 -60.0 20.0 2

! 22 Glu: 4.0
    assi (resid 21 and name C ) (resid 22 and name N)
         (resid 22 and name CA) (resid 22 and name C) 1.0 -60.0 20.0 2

! 23 Ala: 3.5
    assi (resid 22 and name C ) (resid 23 and name N)
         (resid 23 and name CA) (resid 23 and name C) 1.0 -60.0 20.0 2

! 24 Ala: 3.0
    assi (resid 23 and name C ) (resid 24 and name N)
         (resid 24 and name CA) (resid 24 and name C) 1.0 -60.0 20.0 2

! 25 Val: 3.0
    assi (resid 24 and name C ) (resid 25 and name N)
         (resid 25 and name CA) (resid 25 and name C) 1.0 -60.0 20.0 2

! 26 Leu: 3.0
    assi (resid 25 and name C ) (resid 26 and name N)
         (resid 26 and name CA) (resid 26 and name C) 1.0 -60.0 20.0 2

! 27 Ala: 4.5
    assi (resid 26 and name C ) (resid 27 and name N)
         (resid 27 and name CA) (resid 27 and name C) 1.0 -60.0 20.0 2
! 28 Asn: 4.0
    assi (resid 27 and name C ) (resid 28 and name N)
         (resid 28 and name CA) (resid 28 and name C) 1.0 -60.0 20.0 2

! 29 Arg: 3.0
    assi (resid 28 and name C ) (resid 29 and name N)
         (resid 29 and name CA) (resid 29 and name C) 1.0 -60.0 20.0 2

! 30 Glu: 
  assign (resid  29 and name c ) (resid  30 and name n )
         (resid  30 and name ca) (resid  30 and name c )        1        -90.00   88.00 2

! 31 Leu: 
  assign (resid  30 and name c ) (resid  31 and name n )
         (resid  31 and name ca) (resid  31 and name c )        1        -90.00   88.00 2

! 32 Asp: 2.5
    assi (resid 31 and name C ) (resid 32 and name N)
         (resid 32 and name CA) (resid 32 and name C) 1.0 -60.0 20.0 2

! 33 Lys: 
  assign (resid  32 and name c ) (resid  33 and name n )
         (resid  33 and name ca) (resid  33 and name c )        1        -90.00   88.00 2

! 34 Tyr: 7.0
  assign (resid  33 and name c ) (resid  33 and name n )
         (resid  34 and name ca) (resid  34 and name c )        1        -90.00   88.00 2

! 35 Gly: -
! 36 Val: 5.5
  assign (resid  35 and name c ) (resid  36 and name n )
         (resid  36 and name ca) (resid  36 and name c )        1        -90.00   88.00 2

! 37 Ser: 4.0
    assi (resid 36 and name C ) (resid 37 and name N)
         (resid 37 and name CA) (resid 37 and name C) 1.0 -60.0 20.0 2
! 38 Asp: -
  assign (resid  37 and name c ) (resid  38 and name n )
         (resid  38 and name ca) (resid  38 and name c )        1        -90.00   88.00 2

! 39 Tyr: -
  assign (resid  38 and name c ) (resid  39 and name n )
         (resid  39 and name ca) (resid  39 and name c )        1        -90.00   88.00 2

! 40 Tyr: 4.0
    assi (resid 39 and name C ) (resid 40 and name N)
         (resid 40 and name CA) (resid 40 and name C) 1.0 -60.0 20.0 2

! 41 Lys: 4.0
    assi (resid 40 and name C ) (resid 41 and name N)
         (resid 41 and name CA) (resid 41 and name C) 1.0 -60.0 20.0 2

! 42 Asn: 3.0 
    assi (resid 41 and name C ) (resid 42 and name N)
         (resid 42 and name CA) (resid 42 and name C) 1.0 -60.0 20.0 2

! 43 Leu: 4.0
    assi (resid 42 and name C ) (resid 43 and name N)
         (resid 43 and name CA) (resid 43 and name C) 1.0 -60.0 20.0 2

! 44 Ile: 3.5
    assi (resid 43 and name C ) (resid 44 and name N)
         (resid 44 and name CA) (resid 44 and name C) 1.0 -60.0 20.0 2

! 45 Asn: 3.5
    assi (resid 44 and name C ) (resid 45 and name N)
         (resid 45 and name CA) (resid 45 and name C) 1.0 -60.0 20.0 2

! 46 Asn: 7.0
  assign (resid  45 and name c ) (resid  46 and name n )
         (resid  46 and name ca) (resid  46 and name c )        1        -90.00   88.00 2

! 47 Ala: 3.0
    assi (resid 46 and name C ) (resid 47 and name N)
         (resid 47 and name CA) (resid 47 and name C) 1.0 -60.0 20.0 2

! 48 Lys: -
  assign (resid  47 and name c ) (resid  48 and name n )
         (resid  48 and name ca) (resid  48 and name c )        1        -90.00   88.00 2

! 49 Thr: 7.0
  assign (resid  48 and name c ) (resid  49 and name n )
         (resid  49 and name ca) (resid  49 and name c )        1        -90.00   88.00 2
! 50 Val: -
  assign (resid  49 and name c ) (resid  50 and name n )
         (resid  50 and name ca) (resid  50 and name c )        1        -90.00   88.00 2

! 51 Glu: 3.0
    assi (resid 50 and name C ) (resid 51 and name N)
         (resid 51 and name CA) (resid 51 and name C) 1.0 -60.0 20.0 2

! 53 Val: 3.5
    assi (resid 52 and name C ) (resid 53 and name N)
         (resid 53 and name CA) (resid 53 and name C) 1.0 -60.0 20.0 2

! 54 Lys: 4.0
    assi (resid 53 and name C ) (resid 54 and name N)
         (resid 54 and name CA) (resid 54 and name C) 1.0 -60.0 20.0 2

! 55 Ala: 3.5
    assi (resid 54 and name C ) (resid 55 and name N)
         (resid 55 and name CA) (resid 55 and name C) 1.0 -60.0 20.0 2

! 56 Leu: 4.0
    assi (resid 55 and name C ) (resid 56 and name N)
         (resid 56 and name CA) (resid 56 and name C) 1.0 -60.0 20.0 2

! 57 Ile: 3.0
    assi (resid 56 and name C ) (resid 57 and name N)
         (resid 57 and name CA) (resid 57 and name C) 1.0 -60.0 20.0 2

! 58 Asp: 3.5 
    assi (resid 57 and name C ) (resid 58 and name N)
         (resid 58 and name CA) (resid 58 and name C) 1.0 -60.0 20.0 2

! 59 Glu: 4.0 
    assi (resid 58 and name C ) (resid 59 and name N)
         (resid 59 and name CA) (resid 59 and name C) 1.0 -60.0 20.0 2

! 60 Ile: 3.0
    assi (resid 59 and name C ) (resid 60 and name N)
         (resid 60 and name CA) (resid 60 and name C) 1.0 -60.0 20.0 2

! 61 Leu: 4.0
    assi (resid 60 and name C ) (resid 61 and name N)
         (resid 61 and name CA) (resid 61 and name C) 1.0 -60.0 20.0 2

! 62 Ala: 3.5
    assi (resid 61 and name C ) (resid 62 and name N)
         (resid 62 and name CA) (resid 62 and name C) 1.0 -60.0 20.0 2

! 63 Ala: 7.0
  assign (resid  62 and name c ) (resid  63 and name n )
         (resid  63 and name ca) (resid  63 and name c )        1        -90.00   88.00 2

! 64 Leu: 5.5
  assign (resid  63 and name c ) (resid  64 and name n )
         (resid  64 and name ca) (resid  64 and name c )        1        -90.00   88.00 2


!chi-1 constraints 

    assi (resid 25 and name N ) (resid 25 and name CA)
         (resid 25 and name CB) (resid 25 and name CG1) 1.0 180.0 20.0 2

    assi (resid 26 and name N ) (resid 26 and name CA)
         (resid 26 and name CB) (resid 26 and name CG) 1.0 -60.0 20.0 2

    assi (resid 28 and name N ) (resid 28 and name CA)
         (resid 28 and name CB) (resid 28 and name CG) 1.0 180.0 20.0 2 
    
    assi (resid 31 and name N ) (resid 31 and name CA)
         (resid 31 and name CB) (resid 31 and name CG) 1.0 -60.0 20.0 2

    assi (resid 43 and name N ) (resid 43 and name CA)
         (resid 43 and name CB) (resid 43 and name CG) 1.0 180.0 20.0 2
    
    assi (resid 44 and name N ) (resid 44 and name CA)
         (resid 44 and name CB) (resid 44 and name CG1) 1.0 -60.0 20.0 2
    assi (resid 53 and name N ) (resid 53 and name CA)
         (resid 53 and name CB) (resid 53 and name CG1) 1.0 180.0 20.0 2

    assi (resid 56 and name N ) (resid 56 and name CA)
         (resid 56 and name CB) (resid 56 and name CG) 1.0 180.0 20.0 2

    assi (resid 60 and name N ) (resid 60 and name CA)
         (resid 60 and name CB) (resid 60 and name CG1) 1.0 -60.0 20.0 2

    assi (resid 61 and name N ) (resid 61 and name CA)
         (resid 61 and name CB) (resid 61 and name CG) 1.0 -60.0 20.0 2

!chi-2 constraints

    assi (resid 26 and name ca) (resid 26 and name cb)
       (resid 26 and name cg) (resid 26 and name cd1) 1.0 180.0 20.0 2

    assi (resid 31 and name ca) (resid 31 and name cb)
       (resid 31 and name cg) (resid 31 and name cd1) 1.0 180.0 20.0 2

    assi (resid 43 and name ca) (resid 43 and name cb)
       (resid 43 and name cg) (resid 43 and name cd1) 1.0 60.0 20.0 2

    assi (resid 56 and name ca) (resid 56 and name cb)
       (resid 56 and name cg) (resid 56 and name cd1) 1.0 60.0 20.0 2

    assi (resid 61 and name ca) (resid 61 and name cb)
       (resid 61 and name cg) (resid 61 and name cd1) 1.0 180.0 20.0 2

  Entry H atom name         Submitted Coord H atom name
    1    H1   MET   1           H1       MET   1  32.106  13.001  -9.837
    2    H2   MET   1           H2       MET   1  31.537  14.221  -8.801
    3    H3   MET   1           H3       MET   1  31.675  14.520 -10.464
    4    HA   MET   1           HA       MET   1  33.722  15.268 -10.181
    5   1HB   MET   1          1HB       MET   1  32.835  15.789  -7.861
    6   2HB   MET   1          2HB       MET   1  33.582  14.288  -7.316
    7   1HG   MET   1          1HG       MET   1  35.784  15.095  -8.061
    8   2HG   MET   1          2HG       MET   1  35.049  16.586  -8.649
    9   1HE   MET   1          1HE       MET   1  37.458  16.283  -6.767
   10   2HE   MET   1          2HE       MET   1  36.884  17.915  -7.103
   11   3HE   MET   1          3HE       MET   1  37.199  17.409  -5.437
   12    H    LYS   2           H        LYS   2  35.975  14.548 -10.036
   13    HA   LYS   2           HA       LYS   2  36.370  11.869 -10.907
   14   1HB   LYS   2          1HB       LYS   2  38.299  13.902  -9.763
   15   2HB   LYS   2          2HB       LYS   2  38.813  12.351 -10.429
   16   1HG   LYS   2          1HG       LYS   2  37.645  12.943 -12.569
   17   2HG   LYS   2          2HG       LYS   2  37.311  14.539 -11.901
   18   1HD   LYS   2          1HD       LYS   2  40.133  13.470 -12.003
   19   2HD   LYS   2          2HD       LYS   2  39.413  14.250 -13.408
   20   1HE   LYS   2          1HE       LYS   2  39.722  15.487 -10.653
   21   2HE   LYS   2          2HE       LYS   2  40.662  15.892 -12.087
   22   1HZ   LYS   2          1HZ       LYS   2  38.000  16.074 -12.816
   23   2HZ   LYS   2          2HZ       LYS   2  38.119  16.846 -11.310
   24   3HZ   LYS   2          3HZ       LYS   2  39.102  17.350 -12.601
   25    H    ALA   3           H        ALA   3  36.604  13.346  -7.698
   26    HA   ALA   3           HA       ALA   3  37.885  11.481  -6.152
   27   1HB   ALA   3          1HB       ALA   3  35.194  12.695  -5.462
   28   2HB   ALA   3          2HB       ALA   3  36.752  13.495  -5.253
   29   3HB   ALA   3          3HB       ALA   3  36.367  12.053  -4.313
   30    H    ILE   4           H        ILE   4  37.121   9.633  -4.866
   31    HA   ILE   4           HA       ILE   4  35.579   7.764  -6.515
   32    HB   ILE   4           HB       ILE   4  36.855   7.442  -3.783
   33   1HG1  ILE   4          1HG1      ILE   4  37.813   6.392  -6.454
   34   2HG1  ILE   4          2HG1      ILE   4  38.345   7.945  -5.807
   35   1HG2  ILE   4          1HG2      ILE   4  35.572   5.483  -5.701
   36   2HG2  ILE   4          2HG2      ILE   4  36.678   4.979  -4.422
   37   3HG2  ILE   4          3HG2      ILE   4  35.157   5.770  -4.011
   38   1HD1  ILE   4          1HD1      ILE   4  38.560   5.359  -4.249
   39   2HD1  ILE   4          2HD1      ILE   4  39.860   5.971  -5.271
   40   3HD1  ILE   4          3HD1      ILE   4  39.319   6.907  -3.878
   41    H    PHE   5           H        PHE   5  33.543   6.935  -6.022
   42    HA   PHE   5           HA       PHE   5  31.732   8.549  -4.530
   43   1HB   PHE   5          1HB       PHE   5  31.513   5.638  -5.360
   44   2HB   PHE   5          2HB       PHE   5  30.175   6.605  -4.739
   45    HD1  PHE   5           HD1      PHE   5  29.252   8.475  -6.040
   46    HD2  PHE   5           HD2      PHE   5  32.430   6.030  -7.581
   47    HE1  PHE   5           HE1      PHE   5  28.855   9.390  -8.311
   48    HE2  PHE   5           HE2      PHE   5  32.033   6.945  -9.852
   49    HZ   PHE   5           HZ       PHE   5  30.246   8.625 -10.216
   50    H    VAL   6           H        VAL   6  30.960   8.365  -2.416
   51    HA   VAL   6           HA       VAL   6  32.739   7.211  -0.482
   52    HB   VAL   6           HB       VAL   6  31.090   9.220  -0.296
   53   1HG1  VAL   6          1HG1      VAL   6  29.125   7.431  -0.744
   54   2HG1  VAL   6          2HG1      VAL   6  29.177   7.325   1.015
   55   3HG1  VAL   6          3HG1      VAL   6  28.875   8.874   0.234
   56   1HG2  VAL   6          1HG2      VAL   6  31.726   7.208   1.857
   57   2HG2  VAL   6          2HG2      VAL   6  32.432   8.797   1.577
   58   3HG2  VAL   6          3HG2      VAL   6  30.804   8.662   2.240
   59    H    LEU   7           H        LEU   7  30.495   6.137   1.264
   60    HA   LEU   7           HA       LEU   7  30.815   3.382   0.675
   61   1HB   LEU   7          1HB       LEU   7  29.982   4.671   2.838
   62   2HB   LEU   7          2HB       LEU   7  28.390   4.412   2.148
   63    HG   LEU   7           HG       LEU   7  28.688   2.582   3.595
   64   1HD1  LEU   7          1HD1      LEU   7  28.063   1.931   1.218
   65   2HD1  LEU   7          2HD1      LEU   7  29.733   1.395   1.025
   66   3HD1  LEU   7          3HD1      LEU   7  28.701   0.645   2.234
   67   1HD2  LEU   7          1HD2      LEU   7  31.120   2.988   3.989
   68   2HD2  LEU   7          2HD2      LEU   7  30.720   1.281   3.815
   69   3HD2  LEU   7          3HD2      LEU   7  31.475   2.146   2.482
   70    H    ASN   8           H        ASN   8  29.646   1.990  -0.638
   71    HA   ASN   8           HA       ASN   8  27.191   3.060  -1.999
   72   1HB   ASN   8          1HB       ASN   8  29.434   1.418  -3.216
   73   2HB   ASN   8          2HB       ASN   8  27.934   1.853  -4.036
   74   2HD2  ASN   8          2HD2      ASN   8  27.999   4.568  -2.584
   75   1HD2  ASN   8          1HD2      ASN   8  29.140   5.472  -3.456
   76    H    ALA   9           H        ALA   9  25.663   1.413  -2.632
   77    HA   ALA   9           HA       ALA   9  25.659  -0.900  -0.794
   78   1HB   ALA   9          1HB       ALA   9  23.560  -0.208  -2.861
   79   2HB   ALA   9          2HB       ALA   9  23.626   0.586  -1.288
   80   3HB   ALA   9          3HB       ALA   9  23.362  -1.154  -1.386
   81    H    GLN  10           H        GLN  10  27.297  -0.491  -3.460
   82    HA   GLN  10           HA       GLN  10  26.433  -2.451  -5.329
   83   1HB   GLN  10          1HB       GLN  10  29.204  -1.444  -4.628
   84   2HB   GLN  10          2HB       GLN  10  28.884  -2.526  -5.982
   85   1HG   GLN  10          1HG       GLN  10  27.520   0.155  -5.612
   86   2HG   GLN  10          2HG       GLN  10  28.951  -0.086  -6.613
   87   2HE2  GLN  10          2HE2      GLN  10  28.029  -2.809  -7.517
   88   1HE2  GLN  10          1HE2      GLN  10  26.775  -2.515  -8.621
   89    H    HIS  11           H        HIS  11  28.476  -2.736  -2.434
   90    HA   HIS  11           HA       HIS  11  29.410  -5.350  -2.710
   91   1HB   HIS  11          1HB       HIS  11  29.994  -3.918  -0.801
   92   2HB   HIS  11          2HB       HIS  11  28.343  -4.036  -0.193
   93    HD1  HIS  11           HD1      HIS  11  31.162  -6.434  -1.153
   94    HD2  HIS  11           HD2      HIS  11  28.037  -6.116   1.588
   95    HE1  HIS  11           HE1      HIS  11  31.323  -8.462   0.356
   96    H    ASP  12           H        ASP  12  26.467  -4.599  -0.798
   97    HA   ASP  12           HA       ASP  12  24.972  -6.731  -2.137
   98   1HB   ASP  12          1HB       ASP  12  25.926  -7.044   0.720
   99   2HB   ASP  12          2HB       ASP  12  24.590  -7.974   0.042
  100    H    GLU  13           H        GLU  13  22.790  -7.029  -0.869
  101    HA   GLU  13           HA       GLU  13  21.715  -4.329  -0.419
  102   1HB   GLU  13          1HB       GLU  13  20.439  -7.081  -0.434
  103   2HB   GLU  13          2HB       GLU  13  19.541  -5.588  -0.157
  104   1HG   GLU  13          1HG       GLU  13  20.288  -4.728  -2.345
  105   2HG   GLU  13          2HG       GLU  13  21.184  -6.221  -2.626
  106    H    ALA  14           H        ALA  14  23.639  -5.562   1.507
  107    HA   ALA  14           HA       ALA  14  22.485  -6.532   3.853
  108   1HB   ALA  14          1HB       ALA  14  24.750  -4.530   3.628
  109   2HB   ALA  14          2HB       ALA  14  24.393  -5.510   5.050
  110   3HB   ALA  14          3HB       ALA  14  24.916  -6.285   3.554
  111    H    VAL  15           H        VAL  15  22.020  -3.455   2.426
  112    HA   VAL  15           HA       VAL  15  21.156  -2.184   4.960
  113    HB   VAL  15           HB       VAL  15  20.983  -1.132   2.119
  114   1HG1  VAL  15          1HG1      VAL  15  20.809   0.182   4.846
  115   2HG1  VAL  15          2HG1      VAL  15  20.925   1.069   3.326
  116   3HG1  VAL  15          3HG1      VAL  15  19.520   0.054   3.650
  117   1HG2  VAL  15          1HG2      VAL  15  23.137  -0.808   4.234
  118   2HG2  VAL  15          2HG2      VAL  15  23.312  -1.611   2.674
  119   3HG2  VAL  15          3HG2      VAL  15  23.053   0.132   2.744
  120    H    ASP  16           H        ASP  16  19.206  -2.980   5.662
  121    HA   ASP  16           HA       ASP  16  17.112  -3.760   3.753
  122   1HB   ASP  16          1HB       ASP  16  17.583  -4.950   5.951
  123   2HB   ASP  16          2HB       ASP  16  16.881  -3.551   6.764
  124    H    ALA  17           H        ALA  17  17.929  -0.975   5.690
  125    HA   ALA  17           HA       ALA  17  15.368   0.241   5.913
  126   1HB   ALA  17          1HB       ALA  17  17.549   1.000   6.996
  127   2HB   ALA  17          2HB       ALA  17  16.541   2.288   6.336
  128   3HB   ALA  17          3HB       ALA  17  17.959   1.735   5.445
  129    H    ASN  18           H        ASN  18  17.807   0.488   3.316
  130    HA   ASN  18           HA       ASN  18  16.385   2.350   1.704
  131   1HB   ASN  18          1HB       ASN  18  18.737   1.730   1.283
  132   2HB   ASN  18          2HB       ASN  18  18.226   0.106   0.821
  133   2HD2  ASN  18          2HD2      ASN  18  17.784   3.554  -0.093
  134   1HD2  ASN  18          1HD2      ASN  18  17.468   3.237  -1.730
  135    H    SER  19           H        SER  19  16.253  -1.209   1.811
  136    HA   SER  19           HA       SER  19  14.420  -1.480  -0.386
  137   1HB   SER  19          1HB       SER  19  14.121  -3.755   0.393
  138   2HB   SER  19          2HB       SER  19  15.820  -3.329   0.568
  139    HG   SER  19           HG       SER  19  14.492  -2.589   2.762
  140    H    LEU  20           H        LEU  20  13.927  -1.198   3.135
  141    HA   LEU  20           HA       LEU  20  11.111  -1.627   3.103
  142   1HB   LEU  20          1HB       LEU  20  12.924  -0.061   4.947
  143   2HB   LEU  20          2HB       LEU  20  11.187  -0.155   5.227
  144    HG   LEU  20           HG       LEU  20  12.716  -2.714   4.770
  145   1HD1  LEU  20          1HD1      LEU  20  12.695  -1.073   7.313
  146   2HD1  LEU  20          2HD1      LEU  20  12.990  -2.812   7.308
  147   3HD1  LEU  20          3HD1      LEU  20  14.091  -1.728   6.458
  148   1HD2  LEU  20          1HD2      LEU  20  10.175  -2.561   4.994
  149   2HD2  LEU  20          2HD2      LEU  20  10.963  -3.660   6.124
  150   3HD2  LEU  20          3HD2      LEU  20  10.437  -2.067   6.664
  151    H    ALA  21           H        ALA  21  12.984   1.405   2.878
  152    HA   ALA  21           HA       ALA  21  10.746   3.125   2.641
  153   1HB   ALA  21          1HB       ALA  21  13.230   3.732   2.984
  154   2HB   ALA  21          2HB       ALA  21  13.371   3.609   1.230
  155   3HB   ALA  21          3HB       ALA  21  12.279   4.794   1.948
  156    H    GLU  22           H        GLU  22  12.727   1.617   0.064
  157    HA   GLU  22           HA       GLU  22  11.216   2.705  -2.097
  158   1HB   GLU  22          1HB       GLU  22  13.475   1.586  -2.260
  159   2HB   GLU  22          2HB       GLU  22  12.647   0.038  -2.083
  160   1HG   GLU  22          1HG       GLU  22  11.305   0.505  -4.083
  161   2HG   GLU  22          2HG       GLU  22  12.091   2.075  -4.259
  162    H    ALA  23           H        ALA  23  10.834  -0.336  -0.281
  163    HA   ALA  23           HA       ALA  23   8.757  -1.436  -1.888
  164   1HB   ALA  23          1HB       ALA  23   9.874  -2.760  -0.157
  165   2HB   ALA  23          2HB       ALA  23   8.139  -2.717   0.159
  166   3HB   ALA  23          3HB       ALA  23   9.232  -1.699   1.098
  167    H    LYS  24           H        LYS  24   8.636   0.775   0.904
  168    HA   LYS  24           HA       LYS  24   5.749   0.926   0.948
  169   1HB   LYS  24          1HB       LYS  24   7.888   2.800   2.005
  170   2HB   LYS  24          2HB       LYS  24   6.166   2.969   2.344
  171   1HG   LYS  24          1HG       LYS  24   6.139   0.720   3.368
  172   2HG   LYS  24          2HG       LYS  24   7.863   0.549   3.035
  173   1HD   LYS  24          1HD       LYS  24   8.265   2.628   4.396
  174   2HD   LYS  24          2HD       LYS  24   6.559   2.601   4.844
  175   1HE   LYS  24          1HE       LYS  24   6.895   0.287   5.752
  176   2HE   LYS  24          2HE       LYS  24   8.619   0.454   5.428
  177   1HZ   LYS  24          1HZ       LYS  24   7.181   2.477   7.021
  178   2HZ   LYS  24          2HZ       LYS  24   7.751   1.054   7.746
  179   3HZ   LYS  24          3HZ       LYS  24   8.841   2.120   6.997
  180    H    VAL  25           H        VAL  25   8.313   2.867  -0.573
  181    HA   VAL  25           HA       VAL  25   6.585   4.913  -1.589
  182    HB   VAL  25           HB       VAL  25   9.288   3.916  -2.502
  183   1HG1  VAL  25          1HG1      VAL  25   7.590   6.200  -3.517
  184   2HG1  VAL  25          2HG1      VAL  25   9.342   6.175  -3.712
  185   3HG1  VAL  25          3HG1      VAL  25   8.355   4.915  -4.452
  186   1HG2  VAL  25          1HG2      VAL  25   8.997   5.065  -0.246
  187   2HG2  VAL  25          2HG2      VAL  25  10.135   5.841  -1.347
  188   3HG2  VAL  25          3HG2      VAL  25   8.514   6.506  -1.140
  189    H    LEU  26           H        LEU  26   7.819   1.900  -3.054
  190    HA   LEU  26           HA       LEU  26   6.513   2.266  -5.578
  191   1HB   LEU  26          1HB       LEU  26   7.430  -0.229  -4.124
  192   2HB   LEU  26          2HB       LEU  26   6.793  -0.250  -5.767
  193    HG   LEU  26           HG       LEU  26   9.186   1.376  -4.855
  194   1HD1  LEU  26          1HD1      LEU  26   9.033  -1.208  -6.440
  195   2HD1  LEU  26          2HD1      LEU  26  10.505  -0.287  -6.134
  196   3HD1  LEU  26          3HD1      LEU  26   9.642  -1.039  -4.793
  197   1HD2  LEU  26          1HD2      LEU  26   7.671   1.139  -7.437
  198   2HD2  LEU  26          2HD2      LEU  26   8.507   2.529  -6.746
  199   3HD2  LEU  26          3HD2      LEU  26   9.427   1.255  -7.542
  200    H    ALA  27           H        ALA  27   5.464   0.678  -2.574
  201    HA   ALA  27           HA       ALA  27   3.004  -0.341  -3.669
  202   1HB   ALA  27          1HB       ALA  27   3.679   0.371  -0.798
  203   2HB   ALA  27          2HB       ALA  27   2.319  -0.623  -1.318
  204   3HB   ALA  27          3HB       ALA  27   3.970  -1.193  -1.559
  205    H    ASN  28           H        ASN  28   3.870   2.678  -2.026
  206    HA   ASN  28           HA       ASN  28   1.247   3.745  -1.760
  207   1HB   ASN  28          1HB       ASN  28   3.331   4.703  -0.728
  208   2HB   ASN  28          2HB       ASN  28   3.784   5.306  -2.323
  209   2HD2  ASN  28          2HD2      ASN  28   2.854   6.721   0.283
  210   1HD2  ASN  28          1HD2      ASN  28   1.621   7.760  -0.250
  211    H    ARG  29           H        ARG  29   3.537   3.818  -4.463
  212    HA   ARG  29           HA       ARG  29   2.125   5.630  -6.134
  213   1HB   ARG  29          1HB       ARG  29   3.913   3.278  -6.798
  214   2HB   ARG  29          2HB       ARG  29   3.307   4.393  -8.014
  215   1HG   ARG  29          1HG       ARG  29   4.782   5.385  -5.571
  216   2HG   ARG  29          2HG       ARG  29   5.657   4.851  -6.996
  217   1HD   ARG  29          1HD       ARG  29   3.701   7.148  -6.780
  218   2HD   ARG  29          2HD       ARG  29   5.403   7.234  -7.194
  219    HE   ARG  29           HE       ARG  29   3.222   6.850  -9.017
  220   1HH1  ARG  29          1HH1      ARG  29   3.458   5.938 -11.048
  221   2HH1  ARG  29          2HH1      ARG  29   4.919   5.097 -11.445
  222   1HH2  ARG  29          1HH2      ARG  29   6.392   5.643  -8.362
  223   2HH2  ARG  29          2HH2      ARG  29   6.571   4.924  -9.925
  224    H    GLU  30           H        GLU  30   1.767   2.110  -5.729
  225    HA   GLU  30           HA       GLU  30  -0.069   1.693  -7.864
  226   1HB   GLU  30          1HB       GLU  30   0.353   0.293  -5.221
  227   2HB   GLU  30          2HB       GLU  30  -0.880  -0.244  -6.363
  228   1HG   GLU  30          1HG       GLU  30   0.821  -0.514  -8.104
  229   2HG   GLU  30          2HG       GLU  30   2.070   0.050  -6.990
  230    H    LEU  31           H        LEU  31  -0.598   2.702  -4.511
  231    HA   LEU  31           HA       LEU  31  -3.478   2.677  -4.641
  232   1HB   LEU  31          1HB       LEU  31  -1.756   4.502  -2.937
  233   2HB   LEU  31          2HB       LEU  31  -3.383   3.913  -2.580
  234    HG   LEU  31           HG       LEU  31  -0.874   2.239  -2.789
  235   1HD1  LEU  31          1HD1      LEU  31  -2.566   3.197  -0.480
  236   2HD1  LEU  31          2HD1      LEU  31  -1.547   1.765  -0.339
  237   3HD1  LEU  31          3HD1      LEU  31  -0.821   3.332  -0.694
  238   1HD2  LEU  31          1HD2      LEU  31  -3.801   1.542  -2.531
  239   2HD2  LEU  31          2HD2      LEU  31  -2.572   0.805  -3.557
  240   3HD2  LEU  31          3HD2      LEU  31  -2.581   0.482  -1.826
  241    H    ASP  32           H        ASP  32  -1.007   5.135  -5.177
  242    HA   ASP  32           HA       ASP  32  -2.703   7.358  -5.631
  243   1HB   ASP  32          1HB       ASP  32  -0.275   7.511  -5.279
  244   2HB   ASP  32          2HB       ASP  32   0.004   6.713  -6.825
  245    H    LYS  33           H        LYS  33  -1.433   4.921  -7.935
  246    HA   LYS  33           HA       LYS  33  -2.583   6.167 -10.258
  247   1HB   LYS  33          1HB       LYS  33  -1.777   3.298  -9.702
  248   2HB   LYS  33          2HB       LYS  33  -2.324   3.864 -11.281
  249   1HG   LYS  33          1HG       LYS  33  -0.511   5.606 -11.209
  250   2HG   LYS  33          2HG       LYS  33   0.093   4.844  -9.739
  251   1HD   LYS  33          1HD       LYS  33  -0.271   3.369 -12.364
  252   2HD   LYS  33          2HD       LYS  33   1.254   4.092 -11.857
  253   1HE   LYS  33          1HE       LYS  33   0.965   2.699  -9.690
  254   2HE   LYS  33          2HE       LYS  33  -0.234   1.785 -10.605
  255   1HZ   LYS  33          1HZ       LYS  33   2.044   2.124 -12.199
  256   2HZ   LYS  33          2HZ       LYS  33   2.548   1.552 -10.684
  257   3HZ   LYS  33          3HZ       LYS  33   1.396   0.681 -11.579
  258    H    TYR  34           H        TYR  34  -3.785   3.694  -8.005
  259    HA   TYR  34           HA       TYR  34  -6.248   3.227  -9.457
  260   1HB   TYR  34          1HB       TYR  34  -5.865   2.836  -6.486
  261   2HB   TYR  34          2HB       TYR  34  -6.939   1.956  -7.564
  262    HD1  TYR  34           HD1      TYR  34  -4.877   0.785  -5.631
  263    HD2  TYR  34           HD2      TYR  34  -4.633   1.720  -9.824
  264    HE1  TYR  34           HE1      TYR  34  -3.141  -0.950  -5.927
  265    HE2  TYR  34           HE2      TYR  34  -2.902  -0.010 -10.106
  266    HH   TYR  34           HH       TYR  34  -2.239  -2.352  -7.739
  267    H    GLY  35           H        GLY  35  -5.296   5.401  -6.827
  268   1HA   GLY  35          1HA       GLY  35  -7.706   7.041  -7.406
  269   2HA   GLY  35          2HA       GLY  35  -6.299   7.561  -6.480
  270    H    VAL  36           H        VAL  36  -6.236   5.172  -4.791
  271    HA   VAL  36           HA       VAL  36  -8.812   4.958  -3.455
  272    HB   VAL  36           HB       VAL  36  -6.250   4.206  -2.059
  273   1HG1  VAL  36          1HG1      VAL  36  -8.944   2.861  -2.460
  274   2HG1  VAL  36          2HG1      VAL  36  -7.600   2.154  -1.564
  275   3HG1  VAL  36          3HG1      VAL  36  -8.361   3.635  -0.987
  276   1HG2  VAL  36          1HG2      VAL  36  -7.300   2.955  -4.604
  277   2HG2  VAL  36          2HG2      VAL  36  -5.663   3.512  -4.259
  278   3HG2  VAL  36          3HG2      VAL  36  -6.286   2.065  -3.467
  279    H    SER  37           H        SER  37  -8.640   5.375  -0.868
  280    HA   SER  37           HA       SER  37  -8.424   8.237  -0.582
  281   1HB   SER  37          1HB       SER  37 -10.023   6.910   0.742
  282   2HB   SER  37          2HB       SER  37  -8.687   6.084   1.538
  283    HG   SER  37           HG       SER  37  -9.403   8.824   1.657
  284    H    ASP  38           H        ASP  38  -6.915   9.422   0.687
  285    HA   ASP  38           HA       ASP  38  -4.186   8.581   0.474
  286   1HB   ASP  38          1HB       ASP  38  -5.052  10.974   0.612
  287   2HB   ASP  38          2HB       ASP  38  -5.237  10.713   2.347
  288    H    TYR  39           H        TYR  39  -6.605   7.933   2.837
  289    HA   TYR  39           HA       TYR  39  -5.017   7.633   5.175
  290   1HB   TYR  39          1HB       TYR  39  -7.442   7.544   5.313
  291   2HB   TYR  39          2HB       TYR  39  -7.486   6.115   4.279
  292    HD1  TYR  39           HD1      TYR  39  -6.785   3.938   5.092
  293    HD2  TYR  39           HD2      TYR  39  -6.656   7.392   7.640
  294    HE1  TYR  39           HE1      TYR  39  -6.471   2.471   7.058
  295    HE2  TYR  39           HE2      TYR  39  -6.344   5.922   9.615
  296    HH   TYR  39           HH       TYR  39  -6.170   2.374   9.253
  297    H    TYR  40           H        TYR  40  -5.811   5.234   2.632
  298    HA   TYR  40           HA       TYR  40  -4.417   3.061   3.816
  299   1HB   TYR  40          1HB       TYR  40  -4.908   3.712   0.897
  300   2HB   TYR  40          2HB       TYR  40  -4.252   2.177   1.465
  301    HD1  TYR  40           HD1      TYR  40  -7.234   4.271   1.191
  302    HD2  TYR  40           HD2      TYR  40  -5.621   0.670   2.884
  303    HE1  TYR  40           HE1      TYR  40  -9.531   3.461   1.654
  304    HE2  TYR  40           HE2      TYR  40  -7.918  -0.143   3.345
  305    HH   TYR  40           HH       TYR  40 -10.647   1.877   3.178
  306    H    LYS  41           H        LYS  41  -3.246   5.645   1.647
  307    HA   LYS  41           HA       LYS  41  -0.604   4.602   1.280
  308   1HB   LYS  41          1HB       LYS  41  -1.523   7.494   1.419
  309   2HB   LYS  41          2HB       LYS  41  -0.004   6.928   0.720
  310   1HG   LYS  41          1HG       LYS  41  -1.204   5.645  -0.963
  311   2HG   LYS  41          2HG       LYS  41  -2.748   6.075  -0.226
  312   1HD   LYS  41          1HD       LYS  41  -1.877   8.563  -0.618
  313   2HD   LYS  41          2HD       LYS  41  -0.870   7.784  -1.841
  314   1HE   LYS  41          1HE       LYS  41  -2.894   6.771  -2.839
  315   2HE   LYS  41          2HE       LYS  41  -3.882   7.586  -1.626
  316   1HZ   LYS  41          1HZ       LYS  41  -2.726   9.693  -2.487
  317   2HZ   LYS  41          2HZ       LYS  41  -2.341   8.758  -3.852
  318   3HZ   LYS  41          3HZ       LYS  41  -3.965   9.015  -3.426
  319    H    ASN  42           H        ASN  42  -2.059   6.785   3.631
  320    HA   ASN  42           HA       ASN  42   0.293   7.300   5.148
  321   1HB   ASN  42          1HB       ASN  42  -2.626   7.230   5.958
  322   2HB   ASN  42          2HB       ASN  42  -1.338   7.770   7.035
  323   2HD2  ASN  42          2HD2      ASN  42  -0.215   8.651   4.071
  324   1HD2  ASN  42          1HD2      ASN  42  -0.863  10.215   3.958
  325    H    LEU  43           H        LEU  43  -2.112   4.710   5.311
  326    HA   LEU  43           HA       LEU  43  -1.136   3.445   7.659
  327   1HB   LEU  43          1HB       LEU  43  -3.294   2.843   6.620
  328   2HB   LEU  43          2HB       LEU  43  -2.442   2.177   5.229
  329    HG   LEU  43           HG       LEU  43  -1.352   0.505   6.680
  330   1HD1  LEU  43          1HD1      LEU  43  -2.783   2.058   8.831
  331   2HD1  LEU  43          2HD1      LEU  43  -2.474   0.337   9.064
  332   3HD1  LEU  43          3HD1      LEU  43  -1.129   1.446   8.813
  333   1HD2  LEU  43          1HD2      LEU  43  -3.695   0.194   5.656
  334   2HD2  LEU  43          2HD2      LEU  43  -3.261  -0.888   6.979
  335   3HD2  LEU  43          3HD2      LEU  43  -4.316   0.492   7.279
  336    H    ILE  44           H        ILE  44  -0.155   3.139   4.247
  337    HA   ILE  44           HA       ILE  44   1.671   0.970   4.594
  338    HB   ILE  44           HB       ILE  44   1.945   3.348   2.716
  339   1HG1  ILE  44          1HG1      ILE  44  -0.168   2.278   2.253
  340   2HG1  ILE  44          2HG1      ILE  44   0.966   1.759   1.017
  341   1HG2  ILE  44          1HG2      ILE  44   3.218   0.607   2.777
  342   2HG2  ILE  44          2HG2      ILE  44   3.245   1.650   1.355
  343   3HG2  ILE  44          3HG2      ILE  44   4.024   2.173   2.848
  344   1HD1  ILE  44          1HD1      ILE  44   1.404  -0.261   2.622
  345   2HD1  ILE  44          2HD1      ILE  44  -0.143   0.202   3.332
  346   3HD1  ILE  44          3HD1      ILE  44  -0.055  -0.251   1.632
  347    H    ASN  45           H        ASN  45   2.040   4.471   5.015
  348    HA   ASN  45           HA       ASN  45   4.820   4.588   5.465
  349   1HB   ASN  45          1HB       ASN  45   3.201   6.543   5.341
  350   2HB   ASN  45          2HB       ASN  45   2.754   6.179   7.008
  351   2HD2  ASN  45          2HD2      ASN  45   3.708   8.437   7.416
  352   1HD2  ASN  45          1HD2      ASN  45   5.385   8.557   7.648
  353    H    ASN  46           H        ASN  46   2.231   3.471   7.585
  354    HA   ASN  46           HA       ASN  46   4.103   3.229   9.871
  355   1HB   ASN  46          1HB       ASN  46   1.727   4.006  10.176
  356   2HB   ASN  46          2HB       ASN  46   1.199   2.383   9.725
  357   2HD2  ASN  46          2HD2      ASN  46   0.547   1.462  11.705
  358   1HD2  ASN  46          1HD2      ASN  46   1.518   1.404  13.096
  359    H    ALA  47           H        ALA  47   3.558   1.386   7.184
  360    HA   ALA  47           HA       ALA  47   3.106  -1.231   8.185
  361   1HB   ALA  47          1HB       ALA  47   3.081  -1.040   5.835
  362   2HB   ALA  47          2HB       ALA  47   4.619  -0.182   5.797
  363   3HB   ALA  47          3HB       ALA  47   4.583  -1.909   6.149
  364    H    LYS  48           H        LYS  48   4.262  -2.298   9.689
  365    HA   LYS  48           HA       LYS  48   6.848  -1.413  10.582
  366   1HB   LYS  48          1HB       LYS  48   5.142  -2.620  11.985
  367   2HB   LYS  48          2HB       LYS  48   5.566  -4.100  11.125
  368   1HG   LYS  48          1HG       LYS  48   7.911  -3.856  11.835
  369   2HG   LYS  48          2HG       LYS  48   7.509  -2.367  12.685
  370   1HD   LYS  48          1HD       LYS  48   6.165  -5.013  13.296
  371   2HD   LYS  48          2HD       LYS  48   7.624  -4.478  14.125
  372   1HE   LYS  48          1HE       LYS  48   6.294  -2.306  14.638
  373   2HE   LYS  48          2HE       LYS  48   4.870  -3.245  14.194
  374   1HZ   LYS  48          1HZ       LYS  48   5.599  -4.930  15.831
  375   2HZ   LYS  48          2HZ       LYS  48   6.828  -3.869  16.331
  376   3HZ   LYS  48          3HZ       LYS  48   5.197  -3.436  16.526
  377    H    THR  49           H        THR  49   5.838  -4.126   8.481
  378    HA   THR  49           HA       THR  49   8.700  -4.386   7.637
  379    HB   THR  49           HB       THR  49   8.169  -6.128   9.345
  380    HG1  THR  49           HG1      THR  49   8.361  -7.762   7.238
  381   1HG2  THR  49          1HG2      THR  49   5.733  -6.278   8.675
  382   2HG2  THR  49          2HG2      THR  49   6.254  -7.202   7.267
  383   3HG2  THR  49          3HG2      THR  49   6.540  -7.832   8.887
  384    H    VAL  50           H        VAL  50   8.949  -5.548   5.589
  385    HA   VAL  50           HA       VAL  50   7.205  -4.595   3.551
  386    HB   VAL  50           HB       VAL  50   9.246  -6.827   3.505
  387   1HG1  VAL  50          1HG1      VAL  50   7.704  -5.465   1.290
  388   2HG1  VAL  50          2HG1      VAL  50   9.221  -6.316   1.000
  389   3HG1  VAL  50          3HG1      VAL  50   7.823  -7.193   1.622
  390   1HG2  VAL  50          1HG2      VAL  50   9.333  -3.887   2.781
  391   2HG2  VAL  50          2HG2      VAL  50  10.263  -4.705   4.037
  392   3HG2  VAL  50          3HG2      VAL  50  10.598  -5.033   2.337
  393    H    GLU  51           H        GLU  51   7.406  -7.785   5.143
  394    HA   GLU  51           HA       GLU  51   5.657  -9.225   3.481
  395   1HB   GLU  51          1HB       GLU  51   6.867 -10.213   5.424
  396   2HB   GLU  51          2HB       GLU  51   5.776  -9.358   6.514
  397   1HG   GLU  51          1HG       GLU  51   3.851 -10.555   5.538
  398   2HG   GLU  51          2HG       GLU  51   4.939 -11.412   4.446
  399    H    GLY  52           H        GLY  52   4.916  -6.939   6.077
  400   1HA   GLY  52          1HA       GLY  52   2.873  -5.945   6.690
  401   2HA   GLY  52          2HA       GLY  52   2.046  -7.276   5.879
  402    H    VAL  53           H        VAL  53   4.452  -5.200   4.310
  403    HA   VAL  53           HA       VAL  53   2.623  -3.323   3.161
  404    HB   VAL  53           HB       VAL  53   5.322  -4.306   2.203
  405   1HG1  VAL  53          1HG1      VAL  53   3.504  -2.126   1.169
  406   2HG1  VAL  53          2HG1      VAL  53   5.247  -2.087   0.903
  407   3HG1  VAL  53          3HG1      VAL  53   4.286  -3.418   0.258
  408   1HG2  VAL  53          1HG2      VAL  53   4.393  -1.849   3.720
  409   2HG2  VAL  53          2HG2      VAL  53   5.418  -3.146   4.337
  410   3HG2  VAL  53          3HG2      VAL  53   6.025  -2.060   3.087
  411    H    LYS  54           H        LYS  54   4.007  -6.337   1.746
  412    HA   LYS  54           HA       LYS  54   2.432  -6.106  -0.663
  413   1HB   LYS  54          1HB       LYS  54   3.139  -8.426  -1.106
  414   2HB   LYS  54          2HB       LYS  54   4.502  -7.425  -0.607
  415   1HG   LYS  54          1HG       LYS  54   4.118  -8.261   1.755
  416   2HG   LYS  54          2HG       LYS  54   2.967  -9.416   1.081
  417   1HD   LYS  54          1HD       LYS  54   5.887  -9.184   0.285
  418   2HD   LYS  54          2HD       LYS  54   5.214 -10.427   1.339
  419   1HE   LYS  54          1HE       LYS  54   5.228 -11.513  -0.734
  420   2HE   LYS  54          2HE       LYS  54   3.586 -10.874  -0.682
  421   1HZ   LYS  54          1HZ       LYS  54   5.043  -8.827  -1.716
  422   2HZ   LYS  54          2HZ       LYS  54   5.758 -10.195  -2.425
  423   3HZ   LYS  54          3HZ       LYS  54   4.095  -9.917  -2.611
  424    H    ALA  55           H        ALA  55   1.942  -7.900   2.373
  425    HA   ALA  55           HA       ALA  55  -0.421  -9.284   1.474
  426   1HB   ALA  55          1HB       ALA  55   0.677 -10.170   3.396
  427   2HB   ALA  55          2HB       ALA  55  -0.844  -9.505   3.991
  428   3HB   ALA  55          3HB       ALA  55   0.658  -8.608   4.215
  429    H    LEU  56           H        LEU  56   0.111  -6.171   3.031
  430    HA   LEU  56           HA       LEU  56  -2.667  -5.638   3.533
  431   1HB   LEU  56          1HB       LEU  56  -0.932  -4.475   4.748
  432   2HB   LEU  56          2HB       LEU  56  -0.296  -3.786   3.258
  433    HG   LEU  56           HG       LEU  56  -2.388  -2.541   2.922
  434   1HD1  LEU  56          1HD1      LEU  56  -3.237  -4.125   5.345
  435   2HD1  LEU  56          2HD1      LEU  56  -3.955  -2.543   5.036
  436   3HD1  LEU  56          3HD1      LEU  56  -4.116  -3.830   3.845
  437   1HD2  LEU  56          1HD2      LEU  56  -0.439  -1.777   4.511
  438   2HD2  LEU  56          2HD2      LEU  56  -1.956  -0.883   4.534
  439   3HD2  LEU  56          3HD2      LEU  56  -1.609  -2.060   5.799
  440    H    ILE  57           H        ILE  57  -0.469  -4.903   0.837
  441    HA   ILE  57           HA       ILE  57  -2.466  -3.417  -0.672
  442    HB   ILE  57           HB       ILE  57   0.065  -4.838  -1.527
  443   1HG1  ILE  57          1HG1      ILE  57   0.412  -2.920   0.001
  444   2HG1  ILE  57          2HG1      ILE  57   1.023  -2.564  -1.607
  445   1HG2  ILE  57          1HG2      ILE  57  -1.830  -3.069  -3.071
  446   2HG2  ILE  57          2HG2      ILE  57  -0.162  -3.345  -3.575
  447   3HG2  ILE  57          3HG2      ILE  57  -1.288  -4.697  -3.475
  448   1HD1  ILE  57          1HD1      ILE  57  -1.520  -1.597  -1.838
  449   2HD1  ILE  57          2HD1      ILE  57  -1.243  -1.356  -0.116
  450   3HD1  ILE  57          3HD1      ILE  57  -0.157  -0.627  -1.295
  451    H    ASP  58           H        ASP  58  -1.311  -6.766  -0.556
  452    HA   ASP  58           HA       ASP  58  -2.864  -7.729  -2.771
  453   1HB   ASP  58          1HB       ASP  58  -0.947  -8.968  -1.798
  454   2HB   ASP  58          2HB       ASP  58  -1.898  -9.262  -0.342
  455    H    GLU  59           H        GLU  59  -3.577  -7.570   0.730
  456    HA   GLU  59           HA       GLU  59  -6.105  -8.935   0.430
  457   1HB   GLU  59          1HB       GLU  59  -6.468  -8.498   2.721
  458   2HB   GLU  59          2HB       GLU  59  -4.715  -8.600   2.604
  459   1HG   GLU  59          1HG       GLU  59  -4.598  -6.149   2.476
  460   2HG   GLU  59          2HG       GLU  59  -6.341  -6.040   2.659
  461    H    ILE  60           H        ILE  60  -5.071  -5.561   0.400
  462    HA   ILE  60           HA       ILE  60  -7.743  -4.498   0.245
  463    HB   ILE  60           HB       ILE  60  -5.052  -3.340  -0.524
  464   1HG1  ILE  60          1HG1      ILE  60  -6.897  -2.644   1.774
  465   2HG1  ILE  60          2HG1      ILE  60  -5.628  -3.861   1.911
  466   1HG2  ILE  60          1HG2      ILE  60  -7.829  -2.139  -0.561
  467   2HG2  ILE  60          2HG2      ILE  60  -6.381  -1.141  -0.419
  468   3HG2  ILE  60          3HG2      ILE  60  -6.627  -2.139  -1.852
  469   1HD1  ILE  60          1HD1      ILE  60  -3.970  -2.128   1.169
  470   2HD1  ILE  60          2HD1      ILE  60  -5.264  -0.931   1.222
  471   3HD1  ILE  60          3HD1      ILE  60  -4.748  -1.738   2.703
  472    H    LEU  61           H        LEU  61  -5.293  -5.403  -2.167
  473    HA   LEU  61           HA       LEU  61  -6.849  -4.551  -4.438
  474   1HB   LEU  61          1HB       LEU  61  -4.496  -6.408  -4.071
  475   2HB   LEU  61          2HB       LEU  61  -5.301  -6.302  -5.638
  476    HG   LEU  61           HG       LEU  61  -4.134  -3.946  -4.117
  477   1HD1  LEU  61          1HD1      LEU  61  -2.540  -5.751  -5.133
  478   2HD1  LEU  61          2HD1      LEU  61  -3.054  -5.102  -6.689
  479   3HD1  LEU  61          3HD1      LEU  61  -2.245  -4.057  -5.522
  480   1HD2  LEU  61          1HD2      LEU  61  -5.743  -4.215  -6.629
  481   2HD2  LEU  61          2HD2      LEU  61  -5.651  -2.873  -5.489
  482   3HD2  LEU  61          3HD2      LEU  61  -4.385  -3.092  -6.690
  483    H    ALA  62           H        ALA  62  -6.555  -7.614  -2.684
  484    HA   ALA  62           HA       ALA  62  -8.269  -9.099  -4.472
  485   1HB   ALA  62          1HB       ALA  62  -7.708  -9.608  -1.535
  486   2HB   ALA  62          2HB       ALA  62  -8.317 -10.779  -2.704
  487   3HB   ALA  62          3HB       ALA  62  -6.675 -10.153  -2.857
  488    H    ALA  63           H        ALA  63  -8.819  -7.037  -1.679
  489    HA   ALA  63           HA       ALA  63 -11.488  -7.803  -1.073
  490   1HB   ALA  63          1HB       ALA  63 -10.124  -6.299   0.351
  491   2HB   ALA  63          2HB       ALA  63 -10.251  -5.041  -0.878
  492   3HB   ALA  63          3HB       ALA  63 -11.694  -5.592  -0.028
  493    H    LEU  64           H        LEU  64 -10.231  -5.477  -3.460
  494    HA   LEU  64           HA       LEU  64 -12.792  -4.478  -4.250
  495   1HB   LEU  64          1HB       LEU  64 -10.222  -4.685  -5.848
  496   2HB   LEU  64          2HB       LEU  64 -11.599  -3.678  -6.280
  497    HG   LEU  64           HG       LEU  64 -10.239  -3.408  -3.593
  498   1HD1  LEU  64          1HD1      LEU  64  -8.515  -3.116  -5.331
  499   2HD1  LEU  64          2HD1      LEU  64  -9.541  -1.941  -6.154
  500   3HD1  LEU  64          3HD1      LEU  64  -8.894  -1.579  -4.554
  501   1HD2  LEU  64          1HD2      LEU  64 -12.018  -1.641  -5.300
  502   2HD2  LEU  64          2HD2      LEU  64 -12.349  -2.272  -3.688
  503   3HD2  LEU  64          3HD2      LEU  64 -11.122  -1.030  -3.913
  504    HA   PRO  65           HA       PRO  65 -14.327  -7.988  -6.552
  505   1HB   PRO  65          1HB       PRO  65 -15.591  -6.565  -8.656
  506   2HB   PRO  65          2HB       PRO  65 -16.320  -7.026  -7.114
  507   1HG   PRO  65          1HG       PRO  65 -15.351  -4.376  -8.004
  508   2HG   PRO  65          2HG       PRO  65 -16.530  -4.774  -6.747
  509   1HD   PRO  65          1HD       PRO  65 -13.913  -3.893  -6.268
  510   2HD   PRO  65          2HD       PRO  65 -14.929  -4.757  -5.087

  No H/Q in entry =         510