*HEADER   DNA-BINDING PROTEIN                     31-MAR-95   1SSO    
*COMPND   SSO7D (NMR, MINIMIZED AVERAGE STRUCTURE)                    
*SOURCE   (SULFOLOBUS SOLFATARICUS) STRAIN DSM 1617                   
*AUTHOR   H.BAUMANN,S.KNAPP,T.LUNDBACK,R.LADENSTEIN,T.HARD            
*REVDAT  1   08-MAY-95 1SSO    0                                      


! ANSIG v3.1 XPLOR NOE restraints file
! Sso7d

! residue 1    Ala , intraresidue NOEs

! residue 1    Ala , NOEs forward in sequence
assi (resi 1    and name HA  ) (resi 2    and name HN  )  2.50  2.50  0.20
assi (resi 1    and name HB# ) (resi 2    and name HN  )  4.00  4.00  1.30
assi (resi 1    and name HB# ) (resi 16   and name HG2#)  4.00  4.00  2.60
assi (resi 1    and name HB# ) (resi 16   and name HD1#)  4.00  4.00  2.60
assi (resi 1    and name HB# ) (resi 51   and name HB# )  4.00  4.00  2.30
assi (resi 1    and name HB# ) (resi 53   and name HB# )  4.00  4.00  2.30

! residue 2    Thr , intraresidue NOEs
assi (resi 2    and name HN  ) (resi 2    and name HA  )  4.00  4.00  1.00
assi (resi 2    and name HN  ) (resi 2    and name HB  )  4.00  4.00  1.00
assi (resi 2    and name HN  ) (resi 2    and name HG2#)  4.00  4.00  1.30
assi (resi 2    and name HA  ) (resi 2    and name HB  )  4.00  4.00  1.00
assi (resi 2    and name HA  ) (resi 2    and name HG2#)  4.00  4.00  1.30
assi (resi 2    and name HB  ) (resi 2    and name HG2#)  4.00  4.00  1.30

! residue 2    Thr , NOEs forward in sequence
assi (resi 2    and name HA  ) (resi 3    and name HN  )  3.00  3.00  0.30
assi (resi 2    and name HB  ) (resi 3    and name HN  )  4.00  4.00  1.00
assi (resi 2    and name HG2#) (resi 3    and name HN  )  4.00  4.00  2.30
assi (resi 2    and name HB  ) (resi 13   and name HG# )  4.00  4.00  2.00
assi (resi 2    and name HG2#) (resi 15   and name HA  )  4.00  4.00  1.30
assi (resi 2    and name HA  ) (resi 16   and name HN  )  4.00  4.00  1.00

! residue 3    Val , intraresidue NOEs
assi (resi 3    and name HN  ) (resi 3    and name HA  )  4.00  4.00  1.00
assi (resi 3    and name HN  ) (resi 3    and name HB  )  4.00  4.00  1.00
assi (resi 3    and name HN  ) (resi 3    and name HG2#)  4.00  4.00  2.30
assi (resi 3    and name HN  ) (resi 3    and name HG1#)  4.00  4.00  1.30

! residue 3    Val , NOEs forward in sequence
assi (resi 3    and name HA  ) (resi 4    and name HN  )  2.50  2.50  0.20
assi (resi 3    and name HG2#) (resi 4    and name HN  )  4.00  4.00  1.30
assi (resi 3    and name HG1#) (resi 4    and name HN  )  4.00  4.00  1.30
assi (resi 3    and name HB  ) (resi 5    and name HE# )  4.00  4.00  3.00
assi (resi 3    and name HG2#) (resi 5    and name HE# )  4.00  4.00  3.30
assi (resi 3    and name HG1#) (resi 5    and name HE# )  4.00  4.00  3.30
assi (resi 3    and name HN  ) (resi 14   and name HN  )  4.00  4.00  1.00
assi (resi 3    and name HG1#) (resi 14   and name HG# )  4.00  4.00  4.70
assi (resi 3    and name HG2#) (resi 19   and name HD1#)  4.00  4.00  1.60
assi (resi 3    and name HG1#) (resi 19   and name HD1#)  4.00  4.00  2.60
assi (resi 3    and name HG2#) (resi 31   and name HZ  )  4.00  4.00  2.30
assi (resi 3    and name HG2#) (resi 31   and name HE# )  4.00  4.00  3.30
assi (resi 3    and name HG1#) (resi 31   and name HZ  )  4.00  4.00  1.30
assi (resi 3    and name HG1#) (resi 31   and name HE# )  4.00  4.00  3.30
assi (resi 3    and name HG2#) (resi 51   and name HD# )  4.00  4.00  3.30
assi (resi 3    and name HG1#) (resi 51   and name HD# )  4.00  4.00  2.30

! residue 4    Lys , intraresidue NOEs
assi (resi 4    and name HN  ) (resi 4    and name HA  )  4.00  4.00  1.00

! residue 4    Lys , NOEs forward in sequence
assi (resi 4    and name HA  ) (resi 5    and name HN  )  2.50  2.50  0.20
assi (resi 4    and name HA  ) (resi 5    and name HD# )  3.00  3.00  2.30
assi (resi 4    and name HA  ) (resi 13   and name HA  )  2.50  2.50  0.20

! residue 5    Phe , intraresidue NOEs
assi (resi 5    and name HN  ) (resi 5    and name HA  )  4.00  4.00  1.00
assi (resi 5    and name HN  ) (resi 5    and name HB1 )  4.00  4.00  1.00
assi (resi 5    and name HN  ) (resi 5    and name HB2 )  4.00  4.00  1.00
assi (resi 5    and name HN  ) (resi 5    and name HD# )  3.00  3.00  2.30
assi (resi 5    and name HA  ) (resi 5    and name HB1 )  2.50  2.50  0.20
assi (resi 5    and name HA  ) (resi 5    and name HB2 )  2.50  2.50  0.20
assi (resi 5    and name HA  ) (resi 5    and name HD# )  3.00  3.00  2.30
assi (resi 5    and name HB1 ) (resi 5    and name HD# )  2.50  2.50  2.20
assi (resi 5    and name HB2 ) (resi 5    and name HD# )  2.50  2.50  2.20

! residue 5    Phe , NOEs forward in sequence
assi (resi 5    and name HA  ) (resi 6    and name HN  )  2.50  2.50  0.20
assi (resi 5    and name HB1 ) (resi 6    and name HN  )  3.00  3.00  0.30
assi (resi 5    and name HB2 ) (resi 6    and name HN  )  3.00  3.00  0.30
assi (resi 5    and name HD# ) (resi 6    and name HN  )  4.00  4.00  3.00
assi (resi 5    and name HD# ) (resi 7    and name HB2 )  4.00  4.00  3.00
assi (resi 5    and name HE# ) (resi 7    and name HD# )  4.00  4.00  5.00
assi (resi 5    and name HN  ) (resi 12   and name HN  )  4.00  4.00  1.00
assi (resi 5    and name HZ  ) (resi 12   and name HB# )  4.00  4.00  2.00
assi (resi 5    and name HE# ) (resi 12   and name HB# )  2.50  2.50  3.20
assi (resi 5    and name HE# ) (resi 12   and name HG# )  3.00  3.00  3.30
assi (resi 5    and name HE# ) (resi 12   and name HD# )  3.00  3.00  3.30
assi (resi 5    and name HE# ) (resi 13   and name HN  )  4.00  4.00  4.00
assi (resi 5    and name HE# ) (resi 13   and name HA  )  3.00  3.00  2.30
assi (resi 5    and name HZ  ) (resi 14   and name HG# )  4.00  4.00  3.40
assi (resi 5    and name HE# ) (resi 14   and name HN  )  4.00  4.00  3.00
assi (resi 5    and name HE# ) (resi 14   and name HA  )  4.00  4.00  3.00
assi (resi 5    and name HE# ) (resi 14   and name HG# )  4.00  4.00  5.40
assi (resi 5    and name HZ  ) (resi 31   and name HE# )  4.00  4.00  3.00
assi (resi 5    and name HE# ) (resi 31   and name HZ  )  3.00  3.00  2.30
assi (resi 5    and name HE# ) (resi 31   and name HE# )  4.00  4.00  5.00
assi (resi 5    and name HZ  ) (resi 33   and name HD# )  4.00  4.00  3.00
assi (resi 5    and name HZ  ) (resi 33   and name HE# )  3.00  3.00  2.30
assi (resi 5    and name HE# ) (resi 33   and name HD# )  4.00  4.00  5.00
assi (resi 5    and name HE# ) (resi 33   and name HE# )  4.00  4.00  5.00
assi (resi 5    and name HD# ) (resi 43   and name HN  )  4.00  4.00  4.00
assi (resi 5    and name HD# ) (resi 43   and name HA# )  4.00  4.00  4.00
assi (resi 5    and name HE# ) (resi 43   and name HA# )  3.00  3.00  3.30
assi (resi 5    and name HE# ) (resi 44   and name HN  )  4.00  4.00  3.00
assi (resi 5    and name HA  ) (resi 45   and name HG1#)  4.00  4.00  1.30
assi (resi 5    and name HA  ) (resi 45   and name HG2#)  4.00  4.00  1.30
assi (resi 5    and name HB1 ) (resi 45   and name HG2#)  4.00  4.00  1.30
assi (resi 5    and name HB2 ) (resi 45   and name HG2#)  4.00  4.00  1.30

! residue 6    Lys , intraresidue NOEs
assi (resi 6    and name HN  ) (resi 6    and name HA  )  2.50  2.50  0.20
assi (resi 6    and name HN  ) (resi 6    and name HB# )  3.00  3.00  1.30
assi (resi 6    and name HN  ) (resi 6    and name HG# )  4.00  4.00  2.00
assi (resi 6    and name HN  ) (resi 6    and name HD# )  4.00  4.00  3.00

! residue 6    Lys , NOEs forward in sequence
assi (resi 6    and name HA  ) (resi 7    and name HN  )  2.50  2.50  0.20
assi (resi 6    and name HB# ) (resi 7    and name HN  )  4.00  4.00  2.00
assi (resi 6    and name HG# ) (resi 7    and name HN  )  4.00  4.00  2.00
assi (resi 6    and name HA  ) (resi 10   and name HN  )  4.00  4.00  1.00
assi (resi 6    and name HA  ) (resi 11   and name HA  )  2.50  2.50  0.20
assi (resi 6    and name HA  ) (resi 12   and name HN  )  3.00  3.00  0.30

! residue 7    Tyr , intraresidue NOEs
assi (resi 7    and name HN  ) (resi 7    and name HA  )  4.00  4.00  1.00
assi (resi 7    and name HN  ) (resi 7    and name HB1 )  4.00  4.00  1.00
assi (resi 7    and name HN  ) (resi 7    and name HB2 )  4.00  4.00  1.00
assi (resi 7    and name HN  ) (resi 7    and name HD# )  4.00  4.00  3.00
assi (resi 7    and name HA  ) (resi 7    and name HD# )  3.00  3.00  2.30
assi (resi 7    and name HB1 ) (resi 7    and name HD# )  3.00  3.00  2.30
assi (resi 7    and name HB2 ) (resi 7    and name HD# )  2.50  2.50  2.20

! residue 7    Tyr , NOEs forward in sequence
assi (resi 7    and name HA  ) (resi 8    and name HN  )  3.00  3.00  0.30
assi (resi 7    and name HB1 ) (resi 8    and name HN  )  4.00  4.00  1.00
assi (resi 7    and name HB2 ) (resi 8    and name HN  )  4.00  4.00  1.00
assi (resi 7    and name HD# ) (resi 8    and name HN  )  4.00  4.00  3.00
assi (resi 7    and name HD# ) (resi 8    and name HG# )  4.00  4.00  4.00
assi (resi 7    and name HN  ) (resi 10   and name HN  )  4.00  4.00  1.00
assi (resi 7    and name HN  ) (resi 11   and name HA  )  4.00  4.00  1.00

! residue 8    Lys , intraresidue NOEs
assi (resi 8    and name HN  ) (resi 8    and name HA  )  3.00  3.00  0.30
assi (resi 8    and name HN  ) (resi 8    and name HB# )  4.00  4.00  2.00
assi (resi 8    and name HN  ) (resi 8    and name HG# )  4.00  4.00  2.00
assi (resi 8    and name HN  ) (resi 8    and name HD# )  4.00  4.00  2.00

! residue 8    Lys , NOEs forward in sequence
assi (resi 8    and name HN  ) (resi 9    and name HN  )  4.00  4.00  1.00
assi (resi 8    and name HA  ) (resi 9    and name HN  )  3.00  3.00  0.30

! residue 9    Gly , intraresidue NOEs
assi (resi 9    and name HN  ) (resi 9    and name HA# )  3.00  3.00  1.30

! residue 9    Gly , NOEs forward in sequence
assi (resi 9    and name HN  ) (resi 10   and name HN  )  4.00  4.00  1.00
assi (resi 9    and name HA# ) (resi 10   and name HN  )  4.00  4.00  2.00

! residue 10   Glu , intraresidue NOEs
assi (resi 10   and name HN  ) (resi 10   and name HA  )  4.00  4.00  1.00
assi (resi 10   and name HN  ) (resi 10   and name HB# )  4.00  4.00  2.00
assi (resi 10   and name HN  ) (resi 10   and name HG# )  4.00  4.00  2.00

! residue 10   Glu , NOEs forward in sequence
assi (resi 10   and name HA  ) (resi 11   and name HN  )  2.50  2.50  0.20

! residue 11   Glu , intraresidue NOEs
assi (resi 11   and name HN  ) (resi 11   and name HA  )  3.00  3.00  0.30
assi (resi 11   and name HN  ) (resi 11   and name HB# )  4.00  4.00  2.00
assi (resi 11   and name HN  ) (resi 11   and name HG# )  4.00  4.00  2.00

! residue 11   Glu , NOEs forward in sequence

! residue 12   Lys , intraresidue NOEs
assi (resi 12   and name HN  ) (resi 12   and name HA  )  2.50  2.50  0.20
assi (resi 12   and name HN  ) (resi 12   and name HB# )  4.00  4.00  2.00
assi (resi 12   and name HN  ) (resi 12   and name HG# )  4.00  4.00  2.00
assi (resi 12   and name HN  ) (resi 12   and name HD# )  4.00  4.00  2.00

! residue 12   Lys , NOEs forward in sequence
assi (resi 12   and name HA  ) (resi 13   and name HN  )  2.50  2.50  0.20
assi (resi 12   and name HB# ) (resi 13   and name HN  )  4.00  4.00  2.00
assi (resi 12   and name HG# ) (resi 13   and name HN  )  4.00  4.00  2.00
assi (resi 12   and name HD# ) (resi 13   and name HN  )  4.00  4.00  2.00

! residue 13   Gln , intraresidue NOEs
assi (resi 13   and name HN  ) (resi 13   and name HA  )  4.00  4.00  1.00

! residue 13   Gln , NOEs forward in sequence
assi (resi 13   and name HN  ) (resi 14   and name HN  )  4.00  4.00  1.00
assi (resi 13   and name HA  ) (resi 14   and name HN  )  2.50  2.50  0.20

! residue 14   Val , intraresidue NOEs
assi (resi 14   and name HN  ) (resi 14   and name HA  )  3.00  3.00  0.30
assi (resi 14   and name HN  ) (resi 14   and name HB  )  4.00  4.00  1.00
assi (resi 14   and name HN  ) (resi 14   and name HG# )  4.00  4.00  3.40
assi (resi 14   and name HA  ) (resi 14   and name HG# )  4.00  4.00  3.40

! residue 14   Val , NOEs forward in sequence
assi (resi 14   and name HA  ) (resi 15   and name HN  )  2.50  2.50  0.20
assi (resi 14   and name HB  ) (resi 15   and name HN  )  4.00  4.00  1.00
assi (resi 14   and name HG# ) (resi 15   and name HN  )  4.00  4.00  3.40
assi (resi 14   and name HG# ) (resi 18   and name HB# )  4.00  4.00  4.40
assi (resi 14   and name HG# ) (resi 19   and name HD1#)  4.00  4.00  4.70
assi (resi 14   and name HG# ) (resi 19   and name HG1#)  4.00  4.00  4.40
assi (resi 14   and name HG# ) (resi 20   and name HN  )  4.00  4.00  3.40
assi (resi 14   and name HG# ) (resi 31   and name HZ  )  4.00  4.00  4.40
assi (resi 14   and name HG# ) (resi 31   and name HE# )  4.00  4.00  5.40
assi (resi 14   and name HG# ) (resi 33   and name HA  )  4.00  4.00  4.40
assi (resi 14   and name HG# ) (resi 33   and name HB# )  4.00  4.00  4.40
assi (resi 14   and name HG# ) (resi 33   and name HD# )  4.00  4.00  5.40
assi (resi 14   and name HG# ) (resi 33   and name HE# )  4.00  4.00  5.40

! residue 15   Asp , intraresidue NOEs
assi (resi 15   and name HN  ) (resi 15   and name HA  )  4.00  4.00  1.00
assi (resi 15   and name HN  ) (resi 15   and name HB# )  2.50  2.50  1.20

! residue 15   Asp , NOEs forward in sequence
assi (resi 15   and name HA  ) (resi 16   and name HN  )  2.50  2.50  0.20
assi (resi 15   and name HB# ) (resi 16   and name HN  )  4.00  4.00  2.00
assi (resi 15   and name HA  ) (resi 17   and name HN  )  4.00  4.00  1.00
assi (resi 15   and name HB# ) (resi 17   and name HN  )  4.00  4.00  2.00

! residue 16   Ile , intraresidue NOEs
assi (resi 16   and name HN  ) (resi 16   and name HA  )  4.00  4.00  1.00
assi (resi 16   and name HN  ) (resi 16   and name HB  )  3.00  3.00  0.30
assi (resi 16   and name HN  ) (resi 16   and name HG2#)  4.00  4.00  1.30
assi (resi 16   and name HN  ) (resi 16   and name HD1#)  4.00  4.00  2.30
assi (resi 16   and name HN  ) (resi 16   and name HG1#)  3.00  3.00  1.30
assi (resi 16   and name HA  ) (resi 16   and name HB  )  3.00  3.00  0.30

! residue 16   Ile , NOEs forward in sequence
assi (resi 16   and name HN  ) (resi 17   and name HN  )  4.00  4.00  1.00
assi (resi 16   and name HA  ) (resi 17   and name HN  )  4.00  4.00  1.00
assi (resi 16   and name HG2#) (resi 17   and name HN  )  4.00  4.00  1.30
assi (resi 16   and name HG2#) (resi 17   and name HA  )  4.00  4.00  1.30
assi (resi 16   and name HG1#) (resi 17   and name HN  )  4.00  4.00  2.00
assi (resi 16   and name HA  ) (resi 19   and name HN  )  4.00  4.00  1.00
assi (resi 16   and name HA  ) (resi 19   and name HD1#)  4.00  4.00  2.30
assi (resi 16   and name HA  ) (resi 19   and name HG1#)  3.00  3.00  1.30
assi (resi 16   and name HB  ) (resi 19   and name HD1#)  4.00  4.00  2.30

! residue 17   Ser , intraresidue NOEs
assi (resi 17   and name HN  ) (resi 17   and name HA  )  4.00  4.00  1.00
assi (resi 17   and name HN  ) (resi 17   and name HB# )  3.00  3.00  1.30

! residue 17   Ser , NOEs forward in sequence
assi (resi 17   and name HN  ) (resi 18   and name HN  )  4.00  4.00  1.00
assi (resi 17   and name HA  ) (resi 18   and name HN  )  4.00  4.00  2.00

! residue 18   Lys , intraresidue NOEs
assi (resi 18   and name HN  ) (resi 18   and name HA  )  4.00  4.00  1.00
assi (resi 18   and name HN  ) (resi 18   and name HB# )  4.00  4.00  2.00

! residue 18   Lys , NOEs forward in sequence
assi (resi 18   and name HN  ) (resi 19   and name HN  )  3.00  3.00  0.30
assi (resi 18   and name HA  ) (resi 19   and name HN  )  4.00  4.00  1.00
assi (resi 18   and name HB# ) (resi 33   and name HD# )  4.00  4.00  4.00
assi (resi 18   and name HB# ) (resi 34   and name HN  )  4.00  4.00  2.00

! residue 19   Ile , intraresidue NOEs
assi (resi 19   and name HN  ) (resi 19   and name HA  )  3.00  3.00  0.30
assi (resi 19   and name HN  ) (resi 19   and name HB  )  2.50  2.50  0.20
assi (resi 19   and name HN  ) (resi 19   and name HG2#)  4.00  4.00  1.30
assi (resi 19   and name HN  ) (resi 19   and name HD1#)  4.00  4.00  2.30
assi (resi 19   and name HN  ) (resi 19   and name HG1#)  3.00  3.00  1.30
assi (resi 19   and name HA  ) (resi 19   and name HD1#)  4.00  4.00  1.30
assi (resi 19   and name HB  ) (resi 19   and name HD1#)  4.00  4.00  1.30
assi (resi 19   and name HG2#) (resi 19   and name HD1#)  4.00  4.00  1.60
assi (resi 19   and name HD1#) (resi 19   and name HG1#)  4.00  4.00  2.30

! residue 19   Ile , NOEs forward in sequence
assi (resi 19   and name HA  ) (resi 20   and name HN  )  2.50  2.50  0.20
assi (resi 19   and name HG2#) (resi 20   and name HN  )  4.00  4.00  1.30
assi (resi 19   and name HD1#) (resi 20   and name HN  )  4.00  4.00  1.30
assi (resi 19   and name HA  ) (resi 31   and name HD# )  4.00  4.00  3.00
assi (resi 19   and name HG2#) (resi 31   and name HA  )  4.00  4.00  1.30
assi (resi 19   and name HG2#) (resi 31   and name HB# )  4.00  4.00  2.30
assi (resi 19   and name HG2#) (resi 31   and name HD# )  4.00  4.00  3.30
assi (resi 19   and name HD1#) (resi 31   and name HB# )  4.00  4.00  3.30
assi (resi 19   and name HD1#) (resi 31   and name HD# )  4.00  4.00  3.30
assi (resi 19   and name HD1#) (resi 31   and name HE# )  4.00  4.00  3.30
assi (resi 19   and name HA  ) (resi 33   and name HA  )  2.50  2.50  0.20
assi (resi 19   and name HA  ) (resi 33   and name HB# )  4.00  4.00  2.00
assi (resi 19   and name HA  ) (resi 33   and name HD# )  4.00  4.00  3.00
assi (resi 19   and name HG2#) (resi 33   and name HA  )  4.00  4.00  2.30
assi (resi 19   and name HD1#) (resi 33   and name HA  )  4.00  4.00  2.30
assi (resi 19   and name HD1#) (resi 33   and name HB# )  4.00  4.00  3.30
assi (resi 19   and name HD1#) (resi 33   and name HD# )  4.00  4.00  4.30
assi (resi 19   and name HG1#) (resi 33   and name HB# )  4.00  4.00  3.00
assi (resi 19   and name HD1#) (resi 54   and name HD# )  4.00  4.00  4.70
assi (resi 19   and name HG2#) (resi 57   and name HE# )  4.00  4.00  1.60
assi (resi 19   and name HD1#) (resi 57   and name HE# )  4.00  4.00  2.60

! residue 20   Lys , intraresidue NOEs
assi (resi 20   and name HN  ) (resi 20   and name HA  )  4.00  4.00  1.00
assi (resi 20   and name HN  ) (resi 20   and name HB# )  3.00  3.00  1.30
assi (resi 20   and name HN  ) (resi 20   and name HG# )  4.00  4.00  2.00

! residue 20   Lys , NOEs forward in sequence
assi (resi 20   and name HN  ) (resi 21   and name HN  )  3.00  3.00  0.30
assi (resi 20   and name HN  ) (resi 33   and name HA  )  3.00  3.00  0.30
assi (resi 20   and name HB# ) (resi 33   and name HA  )  4.00  4.00  2.00
assi (resi 20   and name HG# ) (resi 33   and name HA  )  4.00  4.00  2.00
assi (resi 20   and name HD# ) (resi 33   and name HA  )  4.00  4.00  2.00

! residue 21   Lys , intraresidue NOEs
assi (resi 21   and name HN  ) (resi 21   and name HA  )  4.00  4.00  1.00
assi (resi 21   and name HN  ) (resi 21   and name HB# )  2.50  2.50  1.20
assi (resi 21   and name HN  ) (resi 21   and name HG# )  4.00  4.00  2.00
assi (resi 21   and name HN  ) (resi 21   and name HD# )  4.00  4.00  2.00
assi (resi 21   and name HN  ) (resi 21   and name HE# )  4.00  4.00  3.00
assi (resi 21   and name HA  ) (resi 21   and name HB# )  3.00  3.00  1.30
assi (resi 21   and name HB# ) (resi 21   and name HE# )  4.00  4.00  3.00
assi (resi 21   and name HG# ) (resi 21   and name HE# )  4.00  4.00  3.00
assi (resi 21   and name HD# ) (resi 21   and name HE# )  4.00  4.00  4.00

! residue 21   Lys , NOEs forward in sequence
assi (resi 21   and name HA  ) (resi 22   and name HN  )  2.50  2.50  0.20
assi (resi 21   and name HB# ) (resi 22   and name HN  )  4.00  4.00  2.00
assi (resi 21   and name HB# ) (resi 23   and name HE3 )  4.00  4.00  2.00
assi (resi 21   and name HB# ) (resi 23   and name HZ3 )  3.00  3.00  1.30
assi (resi 21   and name HN  ) (resi 33   and name HA  )  4.00  4.00  1.00

! residue 22   Val , intraresidue NOEs
assi (resi 22   and name HN  ) (resi 22   and name HA  )  4.00  4.00  1.00
assi (resi 22   and name HN  ) (resi 22   and name HB  )  4.00  4.00  1.00
assi (resi 22   and name HN  ) (resi 22   and name HG# )  4.00  4.00  3.40
assi (resi 22   and name HA  ) (resi 22   and name HB  )  4.00  4.00  1.00
assi (resi 22   and name HA  ) (resi 22   and name HG# )  4.00  4.00  3.40
assi (resi 22   and name HB  ) (resi 22   and name HG# )  4.00  4.00  3.40

! residue 22   Val , NOEs forward in sequence
assi (resi 22   and name HN  ) (resi 23   and name HE3 )  4.00  4.00  1.00
assi (resi 22   and name HA  ) (resi 23   and name HN  )  2.50  2.50  0.20
assi (resi 22   and name HA  ) (resi 23   and name HE3 )  3.00  3.00  0.30
assi (resi 22   and name HA  ) (resi 23   and name HZ3 )  4.00  4.00  1.00
assi (resi 22   and name HB  ) (resi 23   and name HN  )  4.00  4.00  1.00
assi (resi 22   and name HG# ) (resi 23   and name HN  )  4.00  4.00  3.40
assi (resi 22   and name HG# ) (resi 29   and name HG2#)  4.00  4.00  3.70
assi (resi 22   and name HA  ) (resi 31   and name HA  )  2.50  2.50  0.20
assi (resi 22   and name HA  ) (resi 31   and name HB# )  4.00  4.00  2.00
assi (resi 22   and name HA  ) (resi 31   and name HD# )  4.00  4.00  3.00
assi (resi 22   and name HG# ) (resi 31   and name HA  )  4.00  4.00  3.40
assi (resi 22   and name HG# ) (resi 31   and name HB# )  4.00  4.00  4.40
assi (resi 22   and name HG# ) (resi 31   and name HD# )  4.00  4.00  5.40
assi (resi 22   and name HA  ) (resi 32   and name HN  )  4.00  4.00  1.00

! residue 23   Trp , intraresidue NOEs
assi (resi 23   and name HN  ) (resi 23   and name HA  )  3.00  3.00  0.30
assi (resi 23   and name HN  ) (resi 23   and name HE3 )  4.00  4.00  1.00
assi (resi 23   and name HN  ) (resi 23   and name HZ3 )  4.00  4.00  1.00
assi (resi 23   and name HN  ) (resi 23   and name HB# )  4.00  4.00  2.00
assi (resi 23   and name HA  ) (resi 23   and name HD1 )  4.00  4.00  1.00
assi (resi 23   and name HA  ) (resi 23   and name HE3 )  4.00  4.00  1.00
assi (resi 23   and name HA  ) (resi 23   and name HB# )  2.50  2.50  1.20
assi (resi 23   and name HD1 ) (resi 23   and name HB# )  3.00  3.00  1.30
assi (resi 23   and name HE3 ) (resi 23   and name HB# )  4.00  4.00  2.00

! residue 23   Trp , NOEs forward in sequence
assi (resi 23   and name HA  ) (resi 24   and name HN  )  2.50  2.50  0.20
assi (resi 23   and name HD1 ) (resi 24   and name HN  )  4.00  4.00  1.00
assi (resi 23   and name HB# ) (resi 24   and name HN  )  3.00  3.00  1.30
assi (resi 23   and name HD1 ) (resi 25   and name HA  )  4.00  4.00  1.00
assi (resi 23   and name HD1 ) (resi 25   and name HB  )  4.00  4.00  1.00
assi (resi 23   and name HD1 ) (resi 25   and name HG2#)  4.00  4.00  1.30
assi (resi 23   and name HD1 ) (resi 25   and name HG1#)  4.00  4.00  1.30
assi (resi 23   and name HE1 ) (resi 25   and name HG2#)  4.00  4.00  1.30
assi (resi 23   and name HE1 ) (resi 25   and name HG1#)  4.00  4.00  2.30
assi (resi 23   and name HN  ) (resi 29   and name HG2#)  4.00  4.00  1.30
assi (resi 23   and name HN  ) (resi 30   and name HN  )  4.00  4.00  1.00
assi (resi 23   and name HE1 ) (resi 30   and name HB1 )  4.00  4.00  1.00
assi (resi 23   and name HE1 ) (resi 30   and name HB2 )  4.00  4.00  1.00
assi (resi 23   and name HZ2 ) (resi 30   and name HB1 )  4.00  4.00  1.00
assi (resi 23   and name HN  ) (resi 31   and name HA  )  4.00  4.00  1.00
assi (resi 23   and name HE3 ) (resi 31   and name HA  )  4.00  4.00  1.00
assi (resi 23   and name HZ3 ) (resi 31   and name HA  )  3.00  3.00  0.30
assi (resi 23   and name HE3 ) (resi 32   and name HG2#)  4.00  4.00  1.30
assi (resi 23   and name HZ2 ) (resi 32   and name HG2#)  4.00  4.00  1.30
assi (resi 23   and name HZ3 ) (resi 32   and name HN  )  4.00  4.00  1.00
assi (resi 23   and name HH2 ) (resi 32   and name HG2#)  3.00  3.00  0.60
assi (resi 23   and name HZ2 ) (resi 42   and name HD# )  4.00  4.00  2.00
assi (resi 23   and name HH2 ) (resi 42   and name HD# )  4.00  4.00  2.00
assi (resi 23   and name HA  ) (resi 58   and name HD# )  4.00  4.00  3.40

! residue 24   Arg , intraresidue NOEs
assi (resi 24   and name HN  ) (resi 24   and name HA  )  2.50  2.50  0.20

! residue 24   Arg , NOEs forward in sequence
assi (resi 24   and name HA  ) (resi 25   and name HN  )  2.50  2.50  0.20
assi (resi 24   and name HA  ) (resi 29   and name HA  )  3.00  3.00  0.30
assi (resi 24   and name HA  ) (resi 29   and name HG2#)  4.00  4.00  1.30
assi (resi 24   and name HA  ) (resi 29   and name HD1#)  4.00  4.00  1.30
assi (resi 24   and name HA  ) (resi 30   and name HN  )  4.00  4.00  1.00

! residue 25   Val , intraresidue NOEs
assi (resi 25   and name HN  ) (resi 25   and name HA  )  4.00  4.00  1.00
assi (resi 25   and name HN  ) (resi 25   and name HB  )  4.00  4.00  1.00
assi (resi 25   and name HN  ) (resi 25   and name HG2#)  4.00  4.00  1.30
assi (resi 25   and name HN  ) (resi 25   and name HG1#)  4.00  4.00  2.30

! residue 25   Val , NOEs forward in sequence
assi (resi 25   and name HA  ) (resi 26   and name HN  )  2.50  2.50  0.20
assi (resi 25   and name HG1#) (resi 26   and name HN  )  4.00  4.00  1.30
assi (resi 25   and name HN  ) (resi 28   and name HN  )  4.00  4.00  1.00
assi (resi 25   and name HN  ) (resi 29   and name HA  )  4.00  4.00  1.00

! residue 26   Gly , intraresidue NOEs
assi (resi 26   and name HN  ) (resi 26   and name HA# )  3.00  3.00  1.30

! residue 26   Gly , NOEs forward in sequence
assi (resi 26   and name HN  ) (resi 27   and name HN  )  4.00  4.00  1.00
assi (resi 26   and name HA# ) (resi 27   and name HN  )  2.50  2.50  1.20
assi (resi 26   and name HA# ) (resi 28   and name HN  )  4.00  4.00  2.00

! residue 27   Lys , intraresidue NOEs
assi (resi 27   and name HN  ) (resi 27   and name HA  )  3.00  3.00  0.30

! residue 27   Lys , NOEs forward in sequence
assi (resi 27   and name HN  ) (resi 28   and name HN  )  3.00  3.00  0.30
assi (resi 27   and name HA  ) (resi 28   and name HN  )  4.00  4.00  1.00

! residue 28   Met , intraresidue NOEs
assi (resi 28   and name HN  ) (resi 28   and name HA  )  4.00  4.00  1.00
assi (resi 28   and name HN  ) (resi 28   and name HB2 )  3.00  3.00  0.30
assi (resi 28   and name HN  ) (resi 28   and name HB1 )  4.00  4.00  1.00
assi (resi 28   and name HN  ) (resi 28   and name HG# )  4.00  4.00  2.00
assi (resi 28   and name HA  ) (resi 28   and name HE# )  4.00  4.00  2.30
assi (resi 28   and name HB2 ) (resi 28   and name HE# )  4.00  4.00  1.30
assi (resi 28   and name HE# ) (resi 28   and name HG# )  4.00  4.00  2.30

! residue 28   Met , NOEs forward in sequence
assi (resi 28   and name HA  ) (resi 29   and name HN  )  2.50  2.50  0.20
assi (resi 28   and name HB2 ) (resi 29   and name HN  )  4.00  4.00  1.00
assi (resi 28   and name HB1 ) (resi 29   and name HN  )  4.00  4.00  1.00
assi (resi 28   and name HE# ) (resi 29   and name HN  )  4.00  4.00  2.30
assi (resi 28   and name HB2 ) (resi 44   and name HB# )  4.00  4.00  2.30
assi (resi 28   and name HB1 ) (resi 44   and name HB# )  4.00  4.00  1.30
assi (resi 28   and name HE# ) (resi 44   and name HB# )  4.00  4.00  1.60
assi (resi 28   and name HE# ) (resi 45   and name HN  )  4.00  4.00  1.30
assi (resi 28   and name HA  ) (resi 46   and name HA  )  3.00  3.00  0.30
assi (resi 28   and name HB2 ) (resi 46   and name HA  )  4.00  4.00  1.00
assi (resi 28   and name HE# ) (resi 46   and name HA  )  4.00  4.00  2.30
assi (resi 28   and name HE# ) (resi 46   and name HB2 )  4.00  4.00  2.30
assi (resi 28   and name HG# ) (resi 46   and name HB2 )  4.00  4.00  2.00

! residue 29   Ile , intraresidue NOEs
assi (resi 29   and name HN  ) (resi 29   and name HA  )  4.00  4.00  1.00
assi (resi 29   and name HN  ) (resi 29   and name HB  )  3.00  3.00  0.30
assi (resi 29   and name HN  ) (resi 29   and name HG2#)  4.00  4.00  1.30
assi (resi 29   and name HN  ) (resi 29   and name HD1#)  4.00  4.00  1.30
assi (resi 29   and name HN  ) (resi 29   and name HG1#)  4.00  4.00  2.00
assi (resi 29   and name HA  ) (resi 29   and name HG2#)  4.00  4.00  1.30
assi (resi 29   and name HA  ) (resi 29   and name HD1#)  4.00  4.00  1.30

! residue 29   Ile , NOEs forward in sequence
assi (resi 29   and name HA  ) (resi 30   and name HN  )  2.50  2.50  0.20
assi (resi 29   and name HG2#) (resi 30   and name HN  )  4.00  4.00  1.30
assi (resi 29   and name HD1#) (resi 30   and name HN  )  4.00  4.00  2.30
assi (resi 29   and name HG2#) (resi 31   and name HD# )  4.00  4.00  3.30
assi (resi 29   and name HG2#) (resi 31   and name HE# )  4.00  4.00  4.30
assi (resi 29   and name HN  ) (resi 44   and name HB# )  4.00  4.00  2.30
assi (resi 29   and name HN  ) (resi 45   and name HN  )  4.00  4.00  1.00
assi (resi 29   and name HN  ) (resi 45   and name HG1#)  4.00  4.00  2.30
assi (resi 29   and name HN  ) (resi 45   and name HG2#)  4.00  4.00  2.30
assi (resi 29   and name HG2#) (resi 45   and name HG1#)  4.00  4.00  2.60
assi (resi 29   and name HG2#) (resi 45   and name HG2#)  4.00  4.00  2.60
assi (resi 29   and name HN  ) (resi 46   and name HA  )  4.00  4.00  1.00
assi (resi 29   and name HN  ) (resi 47   and name HN  )  4.00  4.00  1.00
assi (resi 29   and name HD1#) (resi 47   and name HA  )  4.00  4.00  1.30
assi (resi 29   and name HG1#) (resi 47   and name HA  )  3.00  3.00  1.30
assi (resi 29   and name HG2#) (resi 50   and name HB# )  4.00  4.00  2.60
assi (resi 29   and name HD1#) (resi 50   and name HB# )  4.00  4.00  1.60
assi (resi 29   and name HG2#) (resi 54   and name HG  )  4.00  4.00  1.30
assi (resi 29   and name HG2#) (resi 54   and name HB# )  4.00  4.00  2.30
assi (resi 29   and name HD1#) (resi 55   and name HD# )  4.00  4.00  4.70
assi (resi 29   and name HG1#) (resi 55   and name HD# )  4.00  4.00  4.40

! residue 30   Ser , intraresidue NOEs
assi (resi 30   and name HN  ) (resi 30   and name HA  )  3.00  3.00  0.30
assi (resi 30   and name HN  ) (resi 30   and name HB1 )  4.00  4.00  1.00
assi (resi 30   and name HN  ) (resi 30   and name HB2 )  4.00  4.00  1.00

! residue 30   Ser , NOEs forward in sequence
assi (resi 30   and name HA  ) (resi 31   and name HN  )  3.00  3.00  0.30
assi (resi 30   and name HA  ) (resi 31   and name HD# )  4.00  4.00  3.00
assi (resi 30   and name HB1 ) (resi 31   and name HN  )  4.00  4.00  1.00
assi (resi 30   and name HB2 ) (resi 31   and name HN  )  4.00  4.00  1.00
assi (resi 30   and name HA  ) (resi 44   and name HA  )  2.50  2.50  0.20
assi (resi 30   and name HA  ) (resi 44   and name HB# )  4.00  4.00  1.30
assi (resi 30   and name HA  ) (resi 45   and name HN  )  4.00  4.00  1.00

! residue 31   Phe , intraresidue NOEs
assi (resi 31   and name HN  ) (resi 31   and name HA  )  4.00  4.00  1.00
assi (resi 31   and name HN  ) (resi 31   and name HB# )  4.00  4.00  2.00
assi (resi 31   and name HN  ) (resi 31   and name HD# )  4.00  4.00  3.00
assi (resi 31   and name HA  ) (resi 31   and name HB# )  3.00  3.00  1.30
assi (resi 31   and name HA  ) (resi 31   and name HD# )  3.00  3.00  2.30
assi (resi 31   and name HB# ) (resi 31   and name HD# )  2.50  2.50  3.20

! residue 31   Phe , NOEs forward in sequence
assi (resi 31   and name HB# ) (resi 32   and name HN  )  3.00  3.00  1.30
assi (resi 31   and name HD# ) (resi 32   and name HN  )  4.00  4.00  3.00
assi (resi 31   and name HD# ) (resi 33   and name HA  )  4.00  4.00  3.00
assi (resi 31   and name HD# ) (resi 33   and name HB# )  3.00  3.00  3.30
assi (resi 31   and name HE# ) (resi 33   and name HD# )  3.00  3.00  4.30
assi (resi 31   and name HN  ) (resi 43   and name HN  )  4.00  4.00  1.00
assi (resi 31   and name HZ  ) (resi 43   and name HA# )  4.00  4.00  2.00
assi (resi 31   and name HD# ) (resi 43   and name HA# )  4.00  4.00  4.00
assi (resi 31   and name HE# ) (resi 43   and name HA# )  4.00  4.00  4.00
assi (resi 31   and name HN  ) (resi 44   and name HA  )  4.00  4.00  1.00
assi (resi 31   and name HN  ) (resi 44   and name HB# )  4.00  4.00  2.30
assi (resi 31   and name HD# ) (resi 44   and name HA  )  4.00  4.00  3.00
assi (resi 31   and name HD# ) (resi 44   and name HB# )  4.00  4.00  4.30
assi (resi 31   and name HE# ) (resi 44   and name HN  )  4.00  4.00  3.00
assi (resi 31   and name HE# ) (resi 44   and name HA  )  4.00  4.00  3.00
assi (resi 31   and name HE# ) (resi 44   and name HB# )  4.00  4.00  4.30
assi (resi 31   and name HZ  ) (resi 45   and name HG2#)  4.00  4.00  1.30
assi (resi 31   and name HD# ) (resi 45   and name HN  )  4.00  4.00  3.00
assi (resi 31   and name HD# ) (resi 45   and name HG1#)  4.00  4.00  3.30
assi (resi 31   and name HD# ) (resi 45   and name HG2#)  4.00  4.00  3.30
assi (resi 31   and name HE# ) (resi 45   and name HN  )  4.00  4.00  3.00
assi (resi 31   and name HE# ) (resi 45   and name HB  )  4.00  4.00  3.00
assi (resi 31   and name HE# ) (resi 45   and name HG1#)  4.00  4.00  3.30
assi (resi 31   and name HE# ) (resi 45   and name HG2#)  4.00  4.00  3.30
assi (resi 31   and name HD# ) (resi 54   and name HD# )  4.00  4.00  6.40
assi (resi 31   and name HE# ) (resi 54   and name HD# )  4.00  4.00  5.40

! residue 32   Thr , intraresidue NOEs
assi (resi 32   and name HN  ) (resi 32   and name HA  )  2.50  2.50  0.20
assi (resi 32   and name HN  ) (resi 32   and name HG2#)  4.00  4.00  1.30
assi (resi 32   and name HA  ) (resi 32   and name HB  )  3.00  3.00  0.30
assi (resi 32   and name HA  ) (resi 32   and name HG2#)  4.00  4.00  1.30

! residue 32   Thr , NOEs forward in sequence
assi (resi 32   and name HA  ) (resi 33   and name HN  )  2.50  2.50  0.20
assi (resi 32   and name HA  ) (resi 33   and name HD# )  4.00  4.00  3.00
assi (resi 32   and name HG2#) (resi 33   and name HN  )  4.00  4.00  1.30
assi (resi 32   and name HA  ) (resi 40   and name HG2#)  4.00  4.00  2.30
assi (resi 32   and name HB  ) (resi 40   and name HG2#)  4.00  4.00  1.30
assi (resi 32   and name HA  ) (resi 42   and name HA  )  2.50  2.50  0.20
assi (resi 32   and name HA  ) (resi 42   and name HB# )  4.00  4.00  2.00
assi (resi 32   and name HA  ) (resi 42   and name HG# )  4.00  4.00  2.00
assi (resi 32   and name HB  ) (resi 42   and name HA  )  4.00  4.00  1.00
assi (resi 32   and name HG2#) (resi 42   and name HA  )  4.00  4.00  1.30
assi (resi 32   and name HG2#) (resi 42   and name HD# )  4.00  4.00  3.30
assi (resi 32   and name HA  ) (resi 43   and name HN  )  4.00  4.00  1.00

! residue 33   Tyr , intraresidue NOEs
assi (resi 33   and name HN  ) (resi 33   and name HA  )  4.00  4.00  1.00
assi (resi 33   and name HN  ) (resi 33   and name HB# )  3.00  3.00  1.30
assi (resi 33   and name HN  ) (resi 33   and name HD# )  4.00  4.00  3.00
assi (resi 33   and name HN  ) (resi 33   and name HE# )  4.00  4.00  3.00
assi (resi 33   and name HA  ) (resi 33   and name HB# )  3.00  3.00  1.30
assi (resi 33   and name HA  ) (resi 33   and name HD# )  4.00  4.00  3.00
assi (resi 33   and name HB# ) (resi 33   and name HD# )  2.50  2.50  3.20
assi (resi 33   and name HB# ) (resi 33   and name HE# )  3.00  3.00  3.30

! residue 33   Tyr , NOEs forward in sequence
assi (resi 33   and name HA  ) (resi 34   and name HN  )  2.50  2.50  0.20
assi (resi 33   and name HB# ) (resi 34   and name HN  )  3.00  3.00  1.30
assi (resi 33   and name HD# ) (resi 34   and name HN  )  4.00  4.00  3.00
assi (resi 33   and name HD# ) (resi 35   and name HA  )  4.00  4.00  3.00
assi (resi 33   and name HE# ) (resi 35   and name HA  )  4.00  4.00  3.00
assi (resi 33   and name HE# ) (resi 35   and name HG# )  4.00  4.00  4.00
assi (resi 33   and name HE# ) (resi 41   and name HA# )  4.00  4.00  4.00
assi (resi 33   and name HN  ) (resi 42   and name HA  )  4.00  4.00  1.00
assi (resi 33   and name HD# ) (resi 42   and name HA  )  4.00  4.00  3.00
assi (resi 33   and name HE# ) (resi 42   and name HA  )  4.00  4.00  3.00
assi (resi 33   and name HD# ) (resi 43   and name HN  )  4.00  4.00  3.00
assi (resi 33   and name HE# ) (resi 43   and name HN  )  4.00  4.00  3.00

! residue 34   Asp , intraresidue NOEs
assi (resi 34   and name HN  ) (resi 34   and name HA  )  4.00  4.00  1.00
assi (resi 34   and name HN  ) (resi 34   and name HB# )  3.00  3.00  1.30

! residue 34   Asp , NOEs forward in sequence
assi (resi 34   and name HA  ) (resi 35   and name HN  )  2.50  2.50  0.20
assi (resi 34   and name HA  ) (resi 40   and name HA  )  4.00  4.00  1.00
assi (resi 34   and name HA  ) (resi 40   and name HG2#)  4.00  4.00  1.30

! residue 35   Glu , intraresidue NOEs
assi (resi 35   and name HN  ) (resi 35   and name HA  )  3.00  3.00  0.30
assi (resi 35   and name HN  ) (resi 35   and name HB# )  4.00  4.00  2.00

! residue 35   Glu , NOEs forward in sequence
assi (resi 35   and name HN  ) (resi 40   and name HA  )  4.00  4.00  1.00

! residue 36   Gly , intraresidue NOEs
assi (resi 36   and name HN  ) (resi 36   and name HA# )  3.00  3.00  1.30

! residue 36   Gly , NOEs forward in sequence
assi (resi 36   and name HN  ) (resi 37   and name HN  )  4.00  4.00  1.00
assi (resi 36   and name HA# ) (resi 37   and name HN  )  2.50  2.50  1.20
assi (resi 36   and name HN  ) (resi 38   and name HN  )  4.00  4.00  1.00

! residue 37   Gly , intraresidue NOEs

! residue 37   Gly , NOEs forward in sequence
assi (resi 37   and name HN  ) (resi 38   and name HN  )  3.00  3.00  0.30

! residue 38   Gly , intraresidue NOEs
assi (resi 38   and name HN  ) (resi 38   and name HA# )  3.00  3.00  1.30

! residue 38   Gly , NOEs forward in sequence
assi (resi 38   and name HN  ) (resi 39   and name HN  )  3.00  3.00  0.30

! residue 39   Lys , intraresidue NOEs
assi (resi 39   and name HN  ) (resi 39   and name HA  )  4.00  4.00  1.00
assi (resi 39   and name HN  ) (resi 39   and name HB# )  2.50  2.50  1.20
assi (resi 39   and name HN  ) (resi 39   and name HD# )  4.00  4.00  3.00
assi (resi 39   and name HN  ) (resi 39   and name HE# )  4.00  4.00  2.00
assi (resi 39   and name HB# ) (resi 39   and name HE# )  4.00  4.00  3.00

! residue 39   Lys , NOEs forward in sequence
assi (resi 39   and name HA  ) (resi 40   and name HN  )  3.00  3.00  0.30

! residue 40   Thr , intraresidue NOEs
assi (resi 40   and name HN  ) (resi 40   and name HA  )  2.50  2.50  0.20
assi (resi 40   and name HN  ) (resi 40   and name HB  )  4.00  4.00  1.00
assi (resi 40   and name HN  ) (resi 40   and name HG2#)  4.00  4.00  1.30
assi (resi 40   and name HB  ) (resi 40   and name HG2#)  4.00  4.00  1.30

! residue 40   Thr , NOEs forward in sequence
assi (resi 40   and name HA  ) (resi 41   and name HN  )  4.00  4.00  1.00
assi (resi 40   and name HG2#) (resi 41   and name HN  )  4.00  4.00  1.30

! residue 41   Gly , intraresidue NOEs
assi (resi 41   and name HN  ) (resi 41   and name HA# )  3.00  3.00  1.30

! residue 41   Gly , NOEs forward in sequence
assi (resi 41   and name HN  ) (resi 42   and name HN  )  4.00  4.00  1.00
assi (resi 41   and name HA# ) (resi 42   and name HN  )  3.00  3.00  1.30

! residue 42   Arg , intraresidue NOEs
assi (resi 42   and name HN  ) (resi 42   and name HA  )  2.50  2.50  0.20
assi (resi 42   and name HN  ) (resi 42   and name HB# )  4.00  4.00  2.00
assi (resi 42   and name HN  ) (resi 42   and name HG# )  4.00  4.00  2.00
assi (resi 42   and name HN  ) (resi 42   and name HD# )  4.00  4.00  3.00
assi (resi 42   and name HA  ) (resi 42   and name HB# )  4.00  4.00  2.00
assi (resi 42   and name HA  ) (resi 42   and name HG# )  4.00  4.00  2.00
assi (resi 42   and name HA  ) (resi 42   and name HD# )  4.00  4.00  3.00

! residue 42   Arg , NOEs forward in sequence
assi (resi 42   and name HA  ) (resi 43   and name HN  )  2.50  2.50  0.20

! residue 43   Gly , intraresidue NOEs
assi (resi 43   and name HN  ) (resi 43   and name HA# )  4.00  4.00  2.00

! residue 43   Gly , NOEs forward in sequence
assi (resi 43   and name HA# ) (resi 44   and name HN  )  3.00  3.00  1.30

! residue 44   Ala , intraresidue NOEs
assi (resi 44   and name HN  ) (resi 44   and name HA  )  4.00  4.00  1.00
assi (resi 44   and name HN  ) (resi 44   and name HB# )  4.00  4.00  1.30

! residue 44   Ala , NOEs forward in sequence
assi (resi 44   and name HA  ) (resi 45   and name HN  )  2.50  2.50  0.20
assi (resi 44   and name HB# ) (resi 45   and name HN  )  4.00  4.00  1.30

! residue 45   Val , intraresidue NOEs
assi (resi 45   and name HN  ) (resi 45   and name HA  )  4.00  4.00  1.00
assi (resi 45   and name HN  ) (resi 45   and name HB  )  4.00  4.00  1.00
assi (resi 45   and name HN  ) (resi 45   and name HG1#)  4.00  4.00  1.30
assi (resi 45   and name HN  ) (resi 45   and name HG2#)  4.00  4.00  1.30

! residue 45   Val , NOEs forward in sequence
assi (resi 45   and name HA  ) (resi 46   and name HN  )  2.50  2.50  0.20
assi (resi 45   and name HB  ) (resi 46   and name HN  )  4.00  4.00  1.00
assi (resi 45   and name HG1#) (resi 46   and name HN  )  4.00  4.00  1.30
assi (resi 45   and name HG2#) (resi 46   and name HN  )  4.00  4.00  1.30
assi (resi 45   and name HG1#) (resi 49   and name HB# )  4.00  4.00  2.30
assi (resi 45   and name HG1#) (resi 50   and name HA  )  4.00  4.00  1.30
assi (resi 45   and name HG1#) (resi 50   and name HB# )  4.00  4.00  1.60
assi (resi 45   and name HG2#) (resi 50   and name HA  )  4.00  4.00  1.30
assi (resi 45   and name HG2#) (resi 50   and name HB# )  4.00  4.00  1.60

! residue 46   Ser , intraresidue NOEs
assi (resi 46   and name HN  ) (resi 46   and name HA  )  4.00  4.00  1.00
assi (resi 46   and name HN  ) (resi 46   and name HB1 )  4.00  4.00  1.00
assi (resi 46   and name HN  ) (resi 46   and name HB2 )  4.00  4.00  1.00
assi (resi 46   and name HA  ) (resi 46   and name HB1 )  4.00  4.00  1.00
assi (resi 46   and name HA  ) (resi 46   and name HB2 )  3.00  3.00  0.30

! residue 46   Ser , NOEs forward in sequence
assi (resi 46   and name HN  ) (resi 47   and name HN  )  4.00  4.00  1.00
assi (resi 46   and name HA  ) (resi 47   and name HN  )  2.50  2.50  0.20
assi (resi 46   and name HB1 ) (resi 47   and name HN  )  4.00  4.00  1.00
assi (resi 46   and name HB2 ) (resi 47   and name HN  )  4.00  4.00  1.00
assi (resi 46   and name HB2 ) (resi 48   and name HN  )  4.00  4.00  1.00
assi (resi 46   and name HN  ) (resi 49   and name HB# )  4.00  4.00  2.00
assi (resi 46   and name HB2 ) (resi 49   and name HN  )  4.00  4.00  1.00

! residue 47   Glu , intraresidue NOEs
assi (resi 47   and name HN  ) (resi 47   and name HA  )  4.00  4.00  1.00
assi (resi 47   and name HN  ) (resi 47   and name HB# )  3.00  3.00  1.30
assi (resi 47   and name HN  ) (resi 47   and name HG# )  4.00  4.00  3.00
assi (resi 47   and name HA  ) (resi 47   and name HB# )  2.50  2.50  1.20
assi (resi 47   and name HA  ) (resi 47   and name HG# )  4.00  4.00  2.00

! residue 47   Glu , NOEs forward in sequence
assi (resi 47   and name HN  ) (resi 48   and name HN  )  4.00  4.00  1.00
assi (resi 47   and name HA  ) (resi 48   and name HN  )  4.00  4.00  1.00
assi (resi 47   and name HB# ) (resi 48   and name HN  )  4.00  4.00  2.00
assi (resi 47   and name HG# ) (resi 48   and name HN  )  4.00  4.00  2.00
assi (resi 47   and name HA  ) (resi 50   and name HN  )  4.00  4.00  1.00
assi (resi 47   and name HA  ) (resi 50   and name HB# )  4.00  4.00  1.30
assi (resi 47   and name HA  ) (resi 55   and name HD# )  4.00  4.00  3.40

! residue 48   Lys , intraresidue NOEs
assi (resi 48   and name HN  ) (resi 48   and name HA  )  4.00  4.00  1.00
assi (resi 48   and name HN  ) (resi 48   and name HB# )  3.00  3.00  1.30
assi (resi 48   and name HN  ) (resi 48   and name HG# )  4.00  4.00  2.00

! residue 48   Lys , NOEs forward in sequence
assi (resi 48   and name HN  ) (resi 49   and name HN  )  4.00  4.00  1.00
assi (resi 48   and name HA  ) (resi 49   and name HN  )  4.00  4.00  1.00
assi (resi 48   and name HN  ) (resi 50   and name HN  )  4.00  4.00  1.00

! residue 49   Asp , intraresidue NOEs
assi (resi 49   and name HN  ) (resi 49   and name HA  )  4.00  4.00  1.00
assi (resi 49   and name HN  ) (resi 49   and name HB# )  3.00  3.00  1.30

! residue 49   Asp , NOEs forward in sequence
assi (resi 49   and name HN  ) (resi 50   and name HN  )  2.50  2.50  0.20
assi (resi 49   and name HN  ) (resi 50   and name HB# )  4.00  4.00  2.30
assi (resi 49   and name HA  ) (resi 50   and name HN  )  4.00  4.00  1.00
assi (resi 49   and name HB# ) (resi 50   and name HN  )  4.00  4.00  2.00

! residue 50   Ala , intraresidue NOEs
assi (resi 50   and name HN  ) (resi 50   and name HA  )  4.00  4.00  1.00
assi (resi 50   and name HN  ) (resi 50   and name HB# )  3.00  3.00  0.60
assi (resi 50   and name HA  ) (resi 50   and name HB# )  4.00  4.00  1.30

! residue 50   Ala , NOEs forward in sequence
assi (resi 50   and name HA  ) (resi 51   and name HG# )  4.00  4.00  2.00
assi (resi 50   and name HA  ) (resi 51   and name HD# )  2.50  2.50  1.20
assi (resi 50   and name HB# ) (resi 51   and name HD# )  4.00  4.00  2.30
assi (resi 50   and name HB# ) (resi 54   and name HD# )  4.00  4.00  3.70
assi (resi 50   and name HB# ) (resi 55   and name HN  )  4.00  4.00  2.30
assi (resi 50   and name HB# ) (resi 55   and name HG  )  4.00  4.00  1.30
assi (resi 50   and name HB# ) (resi 55   and name HD# )  4.00  4.00  3.70

! residue 51   Pro , intraresidue NOEs

! residue 51   Pro , NOEs forward in sequence
assi (resi 51   and name HA  ) (resi 52   and name HN  )  2.50  2.50  0.20
assi (resi 51   and name HB# ) (resi 52   and name HN  )  4.00  4.00  2.00
assi (resi 51   and name HB# ) (resi 53   and name HN  )  4.00  4.00  2.00
assi (resi 51   and name HD# ) (resi 54   and name HB# )  4.00  4.00  3.00
assi (resi 51   and name HD# ) (resi 54   and name HD# )  4.00  4.00  4.40

! residue 52   Lys , intraresidue NOEs
assi (resi 52   and name HN  ) (resi 52   and name HA  )  3.00  3.00  0.30
assi (resi 52   and name HN  ) (resi 52   and name HB# )  3.00  3.00  1.30
assi (resi 52   and name HN  ) (resi 52   and name HG# )  4.00  4.00  2.00
assi (resi 52   and name HN  ) (resi 52   and name HD# )  4.00  4.00  2.00

! residue 52   Lys , NOEs forward in sequence
assi (resi 52   and name HN  ) (resi 53   and name HN  )  4.00  4.00  1.00
assi (resi 52   and name HG# ) (resi 53   and name HN  )  4.00  4.00  2.00

! residue 53   Glu , intraresidue NOEs
assi (resi 53   and name HN  ) (resi 53   and name HB# )  3.00  3.00  1.30
assi (resi 53   and name HN  ) (resi 53   and name HG# )  4.00  4.00  2.00

! residue 53   Glu , NOEs forward in sequence
assi (resi 53   and name HN  ) (resi 54   and name HN  )  4.00  4.00  1.00
assi (resi 53   and name HA  ) (resi 54   and name HD# )  4.00  4.00  3.40
assi (resi 53   and name HA  ) (resi 56   and name HB# )  3.00  3.00  1.30

! residue 54   Leu , intraresidue NOEs
assi (resi 54   and name HN  ) (resi 54   and name HA  )  3.00  3.00  0.30
assi (resi 54   and name HN  ) (resi 54   and name HG  )  4.00  4.00  1.00
assi (resi 54   and name HN  ) (resi 54   and name HB# )  2.50  2.50  1.20
assi (resi 54   and name HN  ) (resi 54   and name HD# )  2.50  2.50  2.60
assi (resi 54   and name HA  ) (resi 54   and name HB# )  2.50  2.50  1.20
assi (resi 54   and name HA  ) (resi 54   and name HD# )  4.00  4.00  3.40
assi (resi 54   and name HG  ) (resi 54   and name HD# )  4.00  4.00  3.40
assi (resi 54   and name HB# ) (resi 54   and name HD# )  3.00  3.00  3.70

! residue 54   Leu , NOEs forward in sequence
assi (resi 54   and name HN  ) (resi 55   and name HN  )  3.00  3.00  1.00
assi (resi 54   and name HA  ) (resi 55   and name HN  )  4.00  4.00  1.00
assi (resi 54   and name HB# ) (resi 55   and name HN  )  4.00  4.00  2.00
assi (resi 54   and name HD# ) (resi 55   and name HN  )  4.00  4.00  4.40
assi (resi 54   and name HA  ) (resi 56   and name HB# )  3.00  3.00  1.30
assi (resi 54   and name HA  ) (resi 56   and name HG# )  4.00  4.00  2.00

! residue 55   Leu , intraresidue NOEs
assi (resi 55   and name HN  ) (resi 55   and name HA  )  3.00  3.00  0.30
assi (resi 55   and name HN  ) (resi 55   and name HG  )  2.50  2.50  0.20
assi (resi 55   and name HN  ) (resi 55   and name HB# )  2.50  2.50  1.20
assi (resi 55   and name HN  ) (resi 55   and name HD# )  4.00  4.00  3.40

! residue 55   Leu , NOEs forward in sequence
assi (resi 55   and name HN  ) (resi 56   and name HN  )  3.00  3.00  0.30
assi (resi 55   and name HA  ) (resi 56   and name HN  )  4.00  4.00  1.00
assi (resi 55   and name HG  ) (resi 56   and name HN  )  4.00  4.00  1.00
assi (resi 55   and name HB# ) (resi 56   and name HN  )  4.00  4.00  2.00
assi (resi 55   and name HD# ) (resi 56   and name HN  )  4.00  4.00  4.40
assi (resi 55   and name HA  ) (resi 58   and name HN  )  4.00  4.00  1.00

! residue 56   Gln , intraresidue NOEs
assi (resi 56   and name HN  ) (resi 56   and name HA  )  3.00  3.00  0.30
assi (resi 56   and name HN  ) (resi 56   and name HB# )  3.00  3.00  1.30
assi (resi 56   and name HN  ) (resi 56   and name HG# )  4.00  4.00  2.00
assi (resi 56   and name HA  ) (resi 56   and name HB# )  2.50  2.50  1.20

! residue 56   Gln , NOEs forward in sequence
assi (resi 56   and name HN  ) (resi 57   and name HN  )  3.00  3.00  0.30
assi (resi 56   and name HA  ) (resi 57   and name HN  )  4.00  4.00  1.00
assi (resi 56   and name HB# ) (resi 57   and name HN  )  4.00  4.00  2.00

! residue 57   Met , intraresidue NOEs
assi (resi 57   and name HN  ) (resi 57   and name HA  )  4.00  4.00  1.00
assi (resi 57   and name HN  ) (resi 57   and name HB# )  3.00  3.00  1.30
assi (resi 57   and name HN  ) (resi 57   and name HG# )  4.00  4.00  2.00
assi (resi 57   and name HA  ) (resi 57   and name HE# )  4.00  4.00  1.30
assi (resi 57   and name HA  ) (resi 57   and name HB# )  2.50  2.50  1.20
assi (resi 57   and name HA  ) (resi 57   and name HG# )  3.00  3.00  1.30
assi (resi 57   and name HE# ) (resi 57   and name HG# )  4.00  4.00  2.30

! residue 57   Met , NOEs forward in sequence
assi (resi 57   and name HN  ) (resi 58   and name HN  )  2.50  2.50  0.20
assi (resi 57   and name HA  ) (resi 58   and name HN  )  4.00  4.00  1.00
assi (resi 57   and name HB# ) (resi 58   and name HN  )  4.00  4.00  2.00
assi (resi 57   and name HA  ) (resi 60   and name HN  )  4.00  4.00  1.00

! residue 58   Leu , intraresidue NOEs
assi (resi 58   and name HN  ) (resi 58   and name HA  )  3.00  3.00  0.30
assi (resi 58   and name HN  ) (resi 58   and name HG  )  4.00  4.00  1.00
assi (resi 58   and name HN  ) (resi 58   and name HB# )  3.00  3.00  1.30
assi (resi 58   and name HN  ) (resi 58   and name HD# )  4.00  4.00  3.40
assi (resi 58   and name HA  ) (resi 58   and name HG  )  4.00  4.00  1.00
assi (resi 58   and name HA  ) (resi 58   and name HB# )  4.00  4.00  2.00
assi (resi 58   and name HA  ) (resi 58   and name HD# )  4.00  4.00  3.40

! residue 58   Leu , NOEs forward in sequence
assi (resi 58   and name HN  ) (resi 59   and name HN  )  4.00  4.00  1.00
assi (resi 58   and name HA  ) (resi 59   and name HN  )  3.00  3.00  0.30
assi (resi 58   and name HB# ) (resi 59   and name HN  )  4.00  4.00  2.00
assi (resi 58   and name HD# ) (resi 59   and name HN  )  4.00  4.00  4.40

! residue 59   Glu , intraresidue NOEs
assi (resi 59   and name HN  ) (resi 59   and name HA  )  4.00  4.00  1.00
assi (resi 59   and name HN  ) (resi 59   and name HB# )  3.00  3.00  1.30
assi (resi 59   and name HN  ) (resi 59   and name HG# )  4.00  4.00  2.00

! residue 59   Glu , NOEs forward in sequence
assi (resi 59   and name HN  ) (resi 60   and name HN  )  4.00  4.00  1.00
assi (resi 59   and name HA  ) (resi 60   and name HN  )  4.00  4.00  1.00
assi (resi 59   and name HB# ) (resi 60   and name HN  )  4.00  4.00  2.00

! residue 60   Lys , intraresidue NOEs
assi (resi 60   and name HN  ) (resi 60   and name HA  )  4.00  4.00  1.00
assi (resi 60   and name HN  ) (resi 60   and name HB# )  4.00  4.00  2.00
assi (resi 60   and name HN  ) (resi 60   and name HG# )  4.00  4.00  3.00
assi (resi 60   and name HN  ) (resi 60   and name HD# )  4.00  4.00  2.00
assi (resi 60   and name HN  ) (resi 60   and name HE# )  4.00  4.00  2.00

! residue 60   Lys , NOEs forward in sequence
assi (resi 60   and name HA  ) (resi 61   and name HN  )  4.00  4.00  1.00

! residue 61   Gln , intraresidue NOEs
assi (resi 61   and name HN  ) (resi 61   and name HA  )  3.00  3.00  0.30

! residue 61   Gln , NOEs forward in sequence

! residue 62   Lys , intraresidue NOEs
!
! number of restraints as function of range
! |i-j| = 0 :    233
! |i-j| = 1 :    151
! |i-j| = 2 :     30
! |i-j| = 3 :     15
! |i-j| = 4 :      6
! |i-j| > 4 :    182
! total     :    617

! Sso7d 
!
! Dihedral angle restraints.
!
! chi-1 dihedral angles

    assi (resid 2 and name N ) (resid 2 and name CA)
         (resid 2 and name CB) (resid 2 and name OG1) 1.0 180.0 30.0 2

    assi (resid 3 and name N ) (resid 3 and name CA)
         (resid 3 and name CB) (resid 3 and name CG1) 1.0 60.0 30.0 2

    assi (resid 5 and name N ) (resid 5 and name CA)
         (resid 5 and name CB) (resid 5 and name CG) 1.0 -60.0 30.0 2

    assi (resid 7 and name N ) (resid 7 and name CA)
         (resid 7 and name CB) (resid 7 and name CG) 1.0 -60.0 30.0 2

    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 30.0 2

    assi (resid 28 and name N ) (resid 28 and name CA)
         (resid 28 and name CB) (resid 28 and name CG) 1.0 -60.0 30.0 2

    assi (resid 30 and name N ) (resid 30 and name CA)
         (resid 30 and name CB) (resid 30 and name OG) 1.0 -60.0 30.0 2

    assi (resid 32 and name N ) (resid 32 and name CA)
         (resid 32 and name CB) (resid 32 and name OG1) 1.0 60.0 30.0 2

    assi (resid 34 and name N ) (resid 34 and name CA)
         (resid 34 and name CB) (resid 34 and name CG) 1.0 -120.0 90.0 2

    assi (resid 45 and name N ) (resid 45 and name CA)
         (resid 45 and name CB) (resid 45 and name CG1) 1.0 60.0 30.0 2

    assi (resid 46 and name N ) (resid 46 and name CA)
         (resid 46 and name CB) (resid 46 and name OG) 1.0 -60.0 30.0 2


! Sso7d
!
! Restraints for hydrogen bonds between slow-exchanging main-chain HN protons
! and main-chain carbonyl oxygens.
!

assign (resid 3 and name HN) (resid 14 and name O) 2.0 0.2 0.4
assign (resid 3 and name N) (resid 14 and name O) 2.8 0.2 0.6
assign (resid 3 and name O) (resid 14 and name HN) 2.0 0.2 0.4
assign (resid 3 and name O) (resid 14 and name N) 2.8 0.2 0.6
assign (resid 5 and name HN) (resid 12 and name O) 2.0 0.2 0.4
assign (resid 5 and name N) (resid 12 and name O) 2.8 0.2 0.6
assign (resid 5 and name O) (resid 12 and name HN) 2.0 0.2 0.4
assign (resid 5 and name O) (resid 12 and name N) 2.8 0.2 0.6
assign (resid 7 and name HN) (resid 10 and name O) 2.0 0.2 0.4
assign (resid 7 and name N) (resid 10 and name O) 2.8 0.2 0.6
assign (resid 7 and name O) (resid 10 and name HN) 2.0 0.2 0.4
assign (resid 7 and name O) (resid 10 and name N) 2.8 0.2 0.6
assign (resid 21 and name O) (resid 32 and name HN) 2.0 0.2 0.4
assign (resid 21 and name O) (resid 32 and name N) 2.8 0.2 0.6
assign (resid 23 and name HN) (resid 30 and name O) 2.0 0.2 0.4
assign (resid 23 and name N) (resid 30 and name O) 2.8 0.2 0.6
assign (resid 23 and name O) (resid 30 and name HN) 2.0 0.2 0.4
assign (resid 23 and name O) (resid 30 and name N) 2.8 0.2 0.6
assign (resid 29 and name O) (resid 45 and name HN) 2.0 0.2 0.4
assign (resid 29 and name O) (resid 45 and name N) 2.8 0.2 0.6
assign (resid 29 and name HN) (resid 45 and name O) 2.0 0.2 0.4
assign (resid 29 and name N) (resid 45 and name O) 2.8 0.2 0.6
assign (resid 31 and name O) (resid 43 and name HN) 2.0 0.2 0.4
assign (resid 31 and name O) (resid 43 and name N) 2.8 0.2 0.6
assign (resid 31 and name HN) (resid 43 and name O) 2.0 0.2 0.4
assign (resid 31 and name N) (resid 43 and name O) 2.8 0.2 0.6
assign (resid 33 and name HN) (resid 41 and name O) 2.0 0.2 0.4
assign (resid 33 and name N) (resid 41 and name O) 2.8 0.2 0.6

  Entry H atom name         Orig H atom name
  Start of MODEL           1
    1   1H    ALA   1           HT1      ALA   1  -3.035   3.010  11.442
    2   2H    ALA   1           HT3      ALA   1  -4.107   2.246  12.511
    3   3H    ALA   1           HT2      ALA   1  -2.461   2.376  12.910
    4    HA   ALA   1           HA       ALA   1  -2.595   0.201  12.208
    5   1HB   ALA   1           HB1      ALA   1  -4.969   0.465  11.424
    6   2HB   ALA   1           HB3      ALA   1  -4.347   1.139   9.917
    7   3HB   ALA   1           HB2      ALA   1  -3.982  -0.530  10.353
    8    H    THR   2           HN       THR   2  -1.464  -0.866  10.343
    9    HA   THR   2           HA       THR   2  -0.103   1.018   8.494
   10    HB   THR   2           HB       THR   2   1.409   0.880  10.408
   11    HG1  THR   2           HG1      THR   2   3.145   0.337   9.248
   12   1HG2  THR   2          HG23      THR   2   0.347  -1.569  10.870
   13   2HG2  THR   2          HG22      THR   2   1.860  -2.035  10.093
   14   3HG2  THR   2          HG21      THR   2   1.887  -1.042  11.550
   15    H    VAL   3           HN       VAL   3   0.836  -0.083   6.644
   16    HA   VAL   3           HA       VAL   3  -0.312  -2.814   6.237
   17    HB   VAL   3           HB       VAL   3  -1.270  -1.081   4.757
   18   1HG1  VAL   3          HG13      VAL   3   1.605  -0.713   3.864
   19   2HG1  VAL   3          HG12      VAL   3   0.205  -0.016   3.052
   20   3HG1  VAL   3          HG11      VAL   3   0.606   0.477   4.697
   21   1HG2  VAL   3          HG21      VAL   3   0.210  -3.442   3.825
   22   2HG2  VAL   3          HG23      VAL   3  -1.423  -2.911   3.427
   23   3HG2  VAL   3          HG22      VAL   3  -0.043  -2.247   2.554
   24    H    LYS   4           HN       LYS   4   1.068  -4.450   5.623
   25    HA   LYS   4           HA       LYS   4   3.939  -3.706   5.223
   26   1HB   LYS   4           HB2      LYS   4   4.471  -5.953   6.184
   27   2HB   LYS   4           HB1      LYS   4   3.644  -4.901   7.332
   28   1HG   LYS   4           HG2      LYS   4   1.501  -5.992   6.810
   29   2HG   LYS   4           HG1      LYS   4   2.309  -7.032   5.637
   30   1HD   LYS   4           HD2      LYS   4   3.490  -8.205   7.301
   31   2HD   LYS   4           HD1      LYS   4   3.246  -6.932   8.498
   32   1HE   LYS   4           HE2      LYS   4   0.709  -7.471   8.196
   33   2HE   LYS   4           HE1      LYS   4   1.286  -8.990   7.510
   34   1HZ   LYS   4           HZ3      LYS   4   2.744  -9.034   9.631
   35   2HZ   LYS   4           HZ2      LYS   4   1.584  -7.954  10.245
   36   3HZ   LYS   4           HZ1      LYS   4   1.116  -9.503   9.725
   37    H    PHE   5           HN       PHE   5   4.972  -4.592   3.449
   38    HA   PHE   5           HA       PHE   5   3.247  -6.088   1.544
   39   1HB   PHE   5           HB2      PHE   5   5.947  -5.175   0.757
   40   2HB   PHE   5           HB1      PHE   5   4.480  -5.234  -0.193
   41    HD1  PHE   5           HD1      PHE   5   2.594  -3.723   1.552
   42    HD2  PHE   5           HD2      PHE   5   6.700  -2.949   0.554
   43    HE1  PHE   5           HE1      PHE   5   2.238  -1.303   1.958
   44    HE2  PHE   5           HE2      PHE   5   6.343  -0.531   0.961
   45    HZ   PHE   5           HZ       PHE   5   4.109   0.291   1.659
   46    H    LYS   6           HN       LYS   6   5.131  -7.395   0.038
   47    HA   LYS   6           HA       LYS   6   6.890  -8.955   1.738
   48   1HB   LYS   6           HB2      LYS   6   4.301  -9.836   1.640
   49   2HB   LYS   6           HB1      LYS   6   5.010 -10.712   0.284
   50   1HG   LYS   6           HG2      LYS   6   6.915 -11.328   1.912
   51   2HG   LYS   6           HG1      LYS   6   5.824 -10.790   3.190
   52   1HD   LYS   6           HD2      LYS   6   4.134 -12.374   1.789
   53   2HD   LYS   6           HD1      LYS   6   5.660 -13.191   1.447
   54   1HE   LYS   6           HE2      LYS   6   6.099 -13.064   3.980
   55   2HE   LYS   6           HE1      LYS   6   4.389 -12.661   4.134
   56   1HZ   LYS   6           HZ1      LYS   6   4.076 -14.735   2.649
   57   2HZ   LYS   6           HZ3      LYS   6   5.629 -15.155   3.188
   58   3HZ   LYS   6           HZ2      LYS   6   4.372 -14.938   4.310
   59    OH   TYR   7           OH       TYR   7   5.742  -4.925  -5.437
   60    H    TYR   7           HN       TYR   7   8.583  -8.477   0.333
   61    HA   TYR   7           HA       TYR   7   8.240  -9.368  -2.504
   62   1HB   TYR   7           HB2      TYR   7   9.683  -7.070  -1.258
   63   2HB   TYR   7           HB1      TYR   7  10.401  -7.810  -2.689
   64    HD1  TYR   7           HD2      TYR   7   8.666  -8.330  -4.647
   65    HD2  TYR   7           HD1      TYR   7   8.106  -5.387  -1.569
   66    HE1  TYR   7           HE2      TYR   7   7.033  -7.137  -6.084
   67    HE2  TYR   7           HE1      TYR   7   6.474  -4.194  -3.005
   68    HH   TYR   7           HH       TYR   7   6.234  -4.426  -6.092
   69    H    LYS   8           HN       LYS   8   9.072 -11.415  -2.560
   70    HA   LYS   8           HA       LYS   8  10.617 -13.164  -2.380
   71   1HB   LYS   8           HB2      LYS   8  11.936 -11.001  -3.411
   72   2HB   LYS   8           HB1      LYS   8  12.928 -11.356  -1.996
   73   1HG   LYS   8           HG2      LYS   8  13.544 -13.448  -2.780
   74   2HG   LYS   8           HG1      LYS   8  12.077 -13.633  -3.744
   75   1HD   LYS   8           HD2      LYS   8  13.134 -11.523  -5.022
   76   2HD   LYS   8           HD1      LYS   8  14.627 -12.244  -4.419
   77   1HE   LYS   8           HE2      LYS   8  13.665 -14.474  -5.344
   78   2HE   LYS   8           HE1      LYS   8  12.574 -13.444  -6.270
   79   1HZ   LYS   8           HZ1      LYS   8  15.459 -12.882  -6.281
   80   2HZ   LYS   8           HZ3      LYS   8  14.852 -14.127  -7.259
   81   3HZ   LYS   8           HZ2      LYS   8  14.290 -12.537  -7.465
   82    H    GLY   9           HN       GLY   9   9.396 -12.741   0.002
   83   1HA   GLY   9           HA2      GLY   9   9.653 -13.294   2.270
   84   2HA   GLY   9           HA1      GLY   9  11.324 -13.724   1.906
   85    H    GLU  10           HN       GLU  10  10.133 -10.530   1.125
   86    HA   GLU  10           HA       GLU  10  11.740  -9.442   3.404
   87   1HB   GLU  10           HB2      GLU  10  12.353  -9.095   0.789
   88   2HB   GLU  10           HB1      GLU  10  11.254  -7.734   1.018
   89   1HG   GLU  10           HG2      GLU  10  12.591  -7.060   3.027
   90   2HG   GLU  10           HG1      GLU  10  13.738  -8.344   2.645
   91    H    GLU  11           HN       GLU  11   9.769  -9.451   4.694
   92    HA   GLU  11           HA       GLU  11   7.341  -8.170   3.926
   93   1HB   GLU  11           HB2      GLU  11   8.527  -8.443   6.705
   94   2HB   GLU  11           HB1      GLU  11   6.838  -8.097   6.333
   95   1HG   GLU  11           HG2      GLU  11   6.459 -10.243   5.453
   96   2HG   GLU  11           HG1      GLU  11   8.178 -10.544   5.199
   97    H    LYS  12           HN       LYS  12   7.239  -6.077   3.276
   98    HA   LYS  12           HA       LYS  12   9.093  -4.095   4.352
   99   1HB   LYS  12           HB2      LYS  12   7.167  -4.216   2.080
  100   2HB   LYS  12           HB1      LYS  12   7.582  -2.626   2.723
  101   1HG   LYS  12           HG2      LYS  12  10.051  -3.542   2.575
  102   2HG   LYS  12           HG1      LYS  12   9.352  -4.653   1.396
  103   1HD   LYS  12           HD2      LYS  12   8.608  -2.854   0.004
  104   2HD   LYS  12           HD1      LYS  12   8.945  -1.658   1.257
  105   1HE   LYS  12           HE2      LYS  12  11.398  -2.720   1.052
  106   2HE   LYS  12           HE1      LYS  12  10.826  -3.063  -0.581
  107   1HZ   LYS  12           HZ2      LYS  12  10.065  -0.620  -0.527
  108   2HZ   LYS  12           HZ1      LYS  12  11.173  -0.459   0.751
  109   3HZ   LYS  12           HZ3      LYS  12  11.712  -0.958  -0.777
  110    H    GLN  13           HN       GLN  13   7.976  -1.847   4.854
  111    HA   GLN  13           HA       GLN  13   5.351  -2.157   6.175
  112   1HB   GLN  13           HB2      GLN  13   7.247  -2.833   7.791
  113   2HB   GLN  13           HB1      GLN  13   7.679  -1.123   7.794
  114   1HG   GLN  13           HG2      GLN  13   5.469  -0.511   8.594
  115   2HG   GLN  13           HG1      GLN  13   4.916  -2.180   8.452
  116   1HE2  GLN  13          HE22      GLN  13   5.842  -2.700  11.811
  117   2HE2  GLN  13          HE21      GLN  13   4.637  -2.818  10.620
  118    H    VAL  14           HN       VAL  14   4.209  -0.288   6.029
  119    HA   VAL  14           HA       VAL  14   5.612   2.312   5.827
  120    HB   VAL  14           HB       VAL  14   3.599   1.398   3.745
  121   1HG1  VAL  14          HG13      VAL  14   4.932   3.983   4.414
  122   2HG1  VAL  14          HG12      VAL  14   4.751   3.589   2.704
  123   3HG1  VAL  14          HG11      VAL  14   3.328   3.687   3.741
  124   1HG2  VAL  14          HG23      VAL  14   6.607   1.767   3.604
  125   2HG2  VAL  14          HG22      VAL  14   5.717   0.261   3.382
  126   3HG2  VAL  14          HG21      VAL  14   5.568   1.555   2.195
  127    H    ASP  15           HN       ASP  15   4.520   3.741   7.096
  128    HA   ASP  15           HA       ASP  15   2.124   3.046   8.489
  129   1HB   ASP  15           HB2      ASP  15   3.678   5.586   8.091
  130   2HB   ASP  15           HB1      ASP  15   2.088   5.658   8.852
  131    H    ILE  16           HN       ILE  16  -0.043   3.757   8.167
  132    HA   ILE  16           HA       ILE  16  -0.933   3.931   5.466
  133    HB   ILE  16           HB       ILE  16  -2.359   3.119   7.308
  134   1HG1  ILE  16          HG12      ILE  16  -3.637   5.632   6.238
  135   2HG1  ILE  16          HG11      ILE  16  -3.271   4.271   5.179
  136   1HG2  ILE  16          HG21      ILE  16  -1.411   5.106   8.809
  137   2HG2  ILE  16          HG23      ILE  16  -2.866   5.918   8.229
  138   3HG2  ILE  16          HG22      ILE  16  -2.998   4.401   9.120
  139   1HD1  ILE  16          HD13      ILE  16  -4.533   2.812   6.865
  140   2HD1  ILE  16          HD12      ILE  16  -5.117   4.319   7.572
  141   3HD1  ILE  16          HD11      ILE  16  -5.515   3.916   5.901
  142    H    SER  17           HN       SER  17  -0.052   6.386   7.821
  143    HA   SER  17           HA       SER  17  -1.172   8.623   6.350
  144   1HB   SER  17           HB2      SER  17   0.769   8.329   8.628
  145   2HB   SER  17           HB1      SER  17   0.573   9.890   7.839
  146    HG   SER  17           HG       SER  17  -0.857   9.532   9.640
  147    H    LYS  18           HN       LYS  18   1.966   6.995   6.452
  148    HA   LYS  18           HA       LYS  18   3.413   8.909   4.884
  149   1HB   LYS  18           HB2      LYS  18   3.882   6.308   6.024
  150   2HB   LYS  18           HB1      LYS  18   4.417   6.287   4.344
  151   1HG   LYS  18           HG2      LYS  18   6.018   7.935   4.690
  152   2HG   LYS  18           HG1      LYS  18   5.155   8.631   6.063
  153   1HD   LYS  18           HD2      LYS  18   5.797   6.813   7.496
  154   2HD   LYS  18           HD1      LYS  18   6.429   5.886   6.134
  155   1HE   LYS  18           HE2      LYS  18   8.378   6.806   7.050
  156   2HE   LYS  18           HE1      LYS  18   7.984   7.958   5.775
  157   1HZ   LYS  18           HZ2      LYS  18   6.920   8.327   8.497
  158   2HZ   LYS  18           HZ1      LYS  18   8.497   8.832   8.121
  159   3HZ   LYS  18           HZ3      LYS  18   7.176   9.486   7.283
  160    H    ILE  19           HN       ILE  19   1.300   6.217   4.033
  161    HA   ILE  19           HA       ILE  19   1.947   6.063   1.254
  162    HB   ILE  19           HB       ILE  19  -0.706   5.506   2.621
  163   1HG1  ILE  19          HG12      ILE  19   1.621   3.668   1.977
  164   2HG1  ILE  19          HG11      ILE  19   1.222   4.269   3.587
  165   1HG2  ILE  19          HG22      ILE  19   0.438   4.693  -0.068
  166   2HG2  ILE  19          HG21      ILE  19  -0.960   3.907   0.666
  167   3HG2  ILE  19          HG23      ILE  19  -1.036   5.614   0.232
  168   1HD1  ILE  19          HD12      ILE  19  -0.655   2.650   1.845
  169   2HD1  ILE  19          HD11      ILE  19   0.317   1.982   3.156
  170   3HD1  ILE  19          HD13      ILE  19  -0.945   3.162   3.508
  171    H    LYS  20           HN       LYS  20   0.497   6.801  -0.525
  172    HA   LYS  20           HA       LYS  20  -0.705   9.478   0.086
  173   1HB   LYS  20           HB2      LYS  20   1.226   8.619  -2.003
  174   2HB   LYS  20           HB1      LYS  20  -0.048   9.717  -2.530
  175   1HG   LYS  20           HG2      LYS  20   0.543  11.277  -0.708
  176   2HG   LYS  20           HG1      LYS  20   1.830  10.183  -0.196
  177   1HD   LYS  20           HD2      LYS  20   3.176  10.697  -1.990
  178   2HD   LYS  20           HD1      LYS  20   1.809  11.000  -3.062
  179   1HE   LYS  20           HE2      LYS  20   1.359  13.066  -1.556
  180   2HE   LYS  20           HE1      LYS  20   3.014  12.830  -0.993
  181   1HZ   LYS  20           HZ3      LYS  20   3.679  12.830  -3.386
  182   2HZ   LYS  20           HZ2      LYS  20   2.101  13.332  -3.769
  183   3HZ   LYS  20           HZ1      LYS  20   3.101  14.317  -2.811
  184    H    LYS  21           HN       LYS  21  -0.649   7.305  -2.753
  185    HA   LYS  21           HA       LYS  21  -3.641   7.425  -2.748
  186   1HB   LYS  21           HB2      LYS  21  -1.618   7.513  -4.961
  187   2HB   LYS  21           HB1      LYS  21  -3.201   6.804  -5.281
  188   1HG   LYS  21           HG2      LYS  21  -4.234   8.905  -4.320
  189   2HG   LYS  21           HG1      LYS  21  -2.615   9.607  -4.294
  190   1HD   LYS  21           HD2      LYS  21  -2.488   9.754  -6.591
  191   2HD   LYS  21           HD1      LYS  21  -3.533   8.356  -6.844
  192   1HE   LYS  21           HE2      LYS  21  -5.499   9.604  -6.442
  193   2HE   LYS  21           HE1      LYS  21  -4.610  10.916  -5.667
  194   1HZ   LYS  21           HZ2      LYS  21  -4.061  10.222  -8.474
  195   2HZ   LYS  21           HZ1      LYS  21  -5.405  11.188  -8.091
  196   3HZ   LYS  21           HZ3      LYS  21  -3.844  11.704  -7.673
  197    H    VAL  22           HN       VAL  22  -4.720   5.455  -3.543
  198    HA   VAL  22           HA       VAL  22  -3.087   2.988  -3.604
  199    HB   VAL  22           HB       VAL  22  -5.404   3.263  -1.670
  200   1HG1  VAL  22          HG12      VAL  22  -4.394   1.016  -2.770
  201   2HG1  VAL  22          HG11      VAL  22  -3.276   1.200  -1.419
  202   3HG1  VAL  22          HG13      VAL  22  -5.008   1.072  -1.118
  203   1HG2  VAL  22          HG21      VAL  22  -2.414   3.424  -1.170
  204   2HG2  VAL  22          HG23      VAL  22  -3.599   4.699  -0.883
  205   3HG2  VAL  22          HG22      VAL  22  -3.624   3.234   0.099
  206    CH2  TRP  23           CH2      TRP  23  -0.460   3.697  -7.640
  207    H    TRP  23           HN       TRP  23  -3.875   1.756  -5.239
  208    HA   TRP  23           HA       TRP  23  -6.796   1.685  -5.714
  209   1HB   TRP  23           HB2      TRP  23  -6.549   2.106  -8.113
  210   2HB   TRP  23           HB1      TRP  23  -5.910   3.470  -7.200
  211    HD1  TRP  23           HD1      TRP  23  -4.969   0.892  -9.721
  212    HE1  TRP  23           HE1      TRP  23  -2.470   1.100 -10.316
  213    HE3  TRP  23           HE3      TRP  23  -3.454   4.114  -6.059
  214    HZ2  TRP  23           HZ2      TRP  23  -0.138   2.452  -9.368
  215    HZ3  TRP  23           HZ3      TRP  23  -1.090   4.844  -5.930
  216    HH2  TRP  23           HH2      TRP  23   0.569   4.018  -7.579
  217    NH1  ARG  24           NH1      ARG  24 -10.916  -4.084  -8.289
  218    NH2  ARG  24           NH2      ARG  24 -12.236  -2.708  -7.075
  219    H    ARG  24           HN       ARG  24  -7.370  -0.422  -5.906
  220    HA   ARG  24           HA       ARG  24  -5.336  -2.452  -6.233
  221   1HB   ARG  24           HB2      ARG  24  -7.156  -4.062  -5.900
  222   2HB   ARG  24           HB1      ARG  24  -7.231  -2.793  -4.680
  223   1HG   ARG  24           HG2      ARG  24  -8.922  -1.605  -6.127
  224   2HG   ARG  24           HG1      ARG  24  -8.928  -3.019  -7.179
  225   1HD   ARG  24           HD2      ARG  24  -9.263  -4.057  -4.591
  226   2HD   ARG  24           HD1      ARG  24 -10.275  -2.617  -4.626
  227    HE   ARG  24           HE       ARG  24 -11.107  -5.010  -5.709
  228   1HH1  ARG  24          HH11      ARG  24 -10.215  -4.796  -8.333
  229   2HH1  ARG  24          HH12      ARG  24 -11.302  -3.710  -9.132
  230   1HH2  ARG  24          HH21      ARG  24 -12.547  -2.365  -6.189
  231   2HH2  ARG  24          HH22      ARG  24 -12.622  -2.336  -7.920
  232    H    VAL  25           HN       VAL  25  -4.701  -3.299  -8.155
  233    HA   VAL  25           HA       VAL  25  -6.408  -2.757 -10.543
  234    HB   VAL  25           HB       VAL  25  -3.483  -3.554 -10.425
  235   1HG1  VAL  25          HG13      VAL  25  -5.017  -3.973 -12.518
  236   2HG1  VAL  25          HG12      VAL  25  -4.879  -2.228 -12.733
  237   3HG1  VAL  25          HG11      VAL  25  -3.431  -3.234 -12.739
  238   1HG2  VAL  25          HG22      VAL  25  -4.837  -0.854 -10.693
  239   2HG2  VAL  25          HG21      VAL  25  -3.713  -1.364  -9.433
  240   3HG2  VAL  25          HG23      VAL  25  -3.139  -1.132 -11.084
  241    H    GLY  26           HN       GLY  26  -7.582  -4.464 -11.231
  242   1HA   GLY  26           HA2      GLY  26  -8.175  -6.669 -11.768
  243   2HA   GLY  26           HA1      GLY  26  -6.457  -7.063 -11.697
  244    H    LYS  27           HN       LYS  27  -5.672  -8.104  -9.885
  245    HA   LYS  27           HA       LYS  27  -7.634  -8.587  -7.677
  246   1HB   LYS  27           HB2      LYS  27  -5.772 -10.401  -9.141
  247   2HB   LYS  27           HB1      LYS  27  -5.997 -10.692  -7.416
  248   1HG   LYS  27           HG2      LYS  27  -8.558 -10.409  -8.033
  249   2HG   LYS  27           HG1      LYS  27  -7.994 -10.864  -9.641
  250   1HD   LYS  27           HD2      LYS  27  -7.040 -12.495  -7.328
  251   2HD   LYS  27           HD1      LYS  27  -8.713 -12.707  -7.845
  252   1HE   LYS  27           HE2      LYS  27  -7.373 -12.708 -10.251
  253   2HE   LYS  27           HE1      LYS  27  -6.219 -13.514  -9.188
  254   1HZ   LYS  27           HZ2      LYS  27  -8.179 -14.888  -8.423
  255   2HZ   LYS  27           HZ1      LYS  27  -9.015 -14.280  -9.772
  256   3HZ   LYS  27           HZ3      LYS  27  -7.605 -15.196  -9.992
  257    H    MET  28           HN       MET  28  -4.229  -8.037  -8.504
  258    HA   MET  28           HA       MET  28  -3.297  -8.057  -5.762
  259   1HB   MET  28           HB2      MET  28  -2.167  -7.255  -8.413
  260   2HB   MET  28           HB1      MET  28  -1.379  -6.647  -6.957
  261   1HG   MET  28           HG2      MET  28  -1.255  -8.998  -6.103
  262   2HG   MET  28           HG1      MET  28  -1.905  -9.552  -7.646
  263   1HE   MET  28           HE3      MET  28   0.820  -8.677  -5.529
  264   2HE   MET  28           HE2      MET  28   2.261  -8.367  -6.495
  265   3HE   MET  28           HE1      MET  28   1.060  -7.095  -6.284
  266    H    ILE  29           HN       ILE  29  -1.996  -5.830  -5.188
  267    HA   ILE  29           HA       ILE  29  -3.834  -3.526  -5.587
  268    HB   ILE  29           HB       ILE  29  -2.837  -4.556  -2.908
  269   1HG1  ILE  29          HG12      ILE  29  -5.661  -4.150  -3.935
  270   2HG1  ILE  29          HG11      ILE  29  -4.826  -5.704  -3.944
  271   1HG2  ILE  29          HG21      ILE  29  -4.181  -1.976  -3.715
  272   2HG2  ILE  29          HG23      ILE  29  -4.372  -2.631  -2.087
  273   3HG2  ILE  29          HG22      ILE  29  -2.767  -2.204  -2.684
  274   1HD1  ILE  29          HD12      ILE  29  -4.410  -5.109  -1.388
  275   2HD1  ILE  29          HD11      ILE  29  -5.847  -4.113  -1.623
  276   3HD1  ILE  29          HD13      ILE  29  -5.922  -5.852  -1.908
  277    H    SER  30           HN       SER  30  -2.751  -1.573  -5.765
  278    HA   SER  30           HA       SER  30   0.181  -1.579  -5.169
  279   1HB   SER  30           HB2      SER  30  -1.192  -0.424  -7.613
  280   2HB   SER  30           HB1      SER  30   0.507  -0.191  -7.211
  281    HG   SER  30           HG       SER  30   0.104  -1.953  -8.671
  282    H    PHE  31           HN       PHE  31   1.023   0.752  -5.104
  283    HA   PHE  31           HA       PHE  31  -0.831   2.912  -4.629
  284   1HB   PHE  31           HB2      PHE  31   0.026   3.129  -2.132
  285   2HB   PHE  31           HB1      PHE  31  -1.386   2.151  -2.509
  286    HD1  PHE  31           HD1      PHE  31   2.296   1.463  -2.917
  287    HD2  PHE  31           HD2      PHE  31  -1.409   0.332  -1.057
  288    HE1  PHE  31           HE1      PHE  31   3.395  -0.528  -1.939
  289    HE2  PHE  31           HE2      PHE  31  -0.306  -1.660  -0.078
  290    HZ   PHE  31           HZ       PHE  31   2.094  -2.092  -0.523
  291    H    THR  32           HN       THR  32   0.575   4.689  -3.245
  292    HA   THR  32           HA       THR  32   3.345   4.611  -4.251
  293    HB   THR  32           HB       THR  32   3.198   6.885  -5.063
  294    HG1  THR  32           HG1      THR  32   1.350   8.079  -4.792
  295   1HG2  THR  32          HG21      THR  32   0.915   5.116  -5.951
  296   2HG2  THR  32          HG23      THR  32   1.292   6.645  -6.747
  297   3HG2  THR  32          HG22      THR  32   2.480   5.342  -6.732
  298    OH   TYR  33           OH       TYR  33   8.455   1.133  -2.020
  299    H    TYR  33           HN       TYR  33   4.521   4.633  -2.376
  300    HA   TYR  33           HA       TYR  33   3.573   6.421  -0.177
  301   1HB   TYR  33           HB2      TYR  33   5.045   5.013   1.289
  302   2HB   TYR  33           HB1      TYR  33   3.736   4.105   0.536
  303    HD1  TYR  33           HD1      TYR  33   7.358   4.933   0.246
  304    HD2  TYR  33           HD2      TYR  33   4.182   2.294  -0.937
  305    HE1  TYR  33           HE1      TYR  33   9.014   3.403  -0.787
  306    HE2  TYR  33           HE2      TYR  33   5.838   0.764  -1.970
  307    HH   TYR  33           HH       TYR  33   8.740   1.521  -2.851
  308    H    ASP  34           HN       ASP  34   4.994   7.954   0.672
  309    HA   ASP  34           HA       ASP  34   7.202   8.760  -1.064
  310   1HB   ASP  34           HB2      ASP  34   5.508  10.169   0.496
  311   2HB   ASP  34           HB1      ASP  34   6.867  10.018   1.611
  312    H    GLU  35           HN       GLU  35   9.101   7.674  -0.921
  313    HA   GLU  35           HA       GLU  35   9.938   6.121   1.332
  314   1HB   GLU  35           HB2      GLU  35  10.762   6.283  -1.235
  315   2HB   GLU  35           HB1      GLU  35  12.022   7.248  -0.468
  316   1HG   GLU  35           HG2      GLU  35  12.509   5.415   1.090
  317   2HG   GLU  35           HG1      GLU  35  11.216   4.449   0.377
  318    H    GLY  36           HN       GLY  36  10.991   9.341   0.190
  319   1HA   GLY  36           HA2      GLY  36  11.170  11.043   2.093
  320   2HA   GLY  36           HA1      GLY  36  12.140   9.817   2.911
  321    H    GLY  37           HN       GLY  37  12.136  10.912  -0.487
  322   1HA   GLY  37           HA2      GLY  37  14.866  12.011  -0.131
  323   2HA   GLY  37           HA1      GLY  37  14.673  10.690  -1.285
  324    H    GLY  38           HN       GLY  38  12.352  11.239  -2.559
  325   1HA   GLY  38           HA2      GLY  38  11.576  13.780  -3.289
  326   2HA   GLY  38           HA1      GLY  38  13.061  13.537  -4.212
  327    H    LYS  39           HN       LYS  39  12.706  10.688  -4.574
  328    HA   LYS  39           HA       LYS  39  10.743  10.777  -6.783
  329   1HB   LYS  39           HB2      LYS  39  12.953   8.911  -5.956
  330   2HB   LYS  39           HB1      LYS  39  11.706   8.350  -7.069
  331   1HG   LYS  39           HG2      LYS  39  12.184  10.376  -8.498
  332   2HG   LYS  39           HG1      LYS  39  13.562  10.713  -7.448
  333   1HD   LYS  39           HD2      LYS  39  14.100   8.147  -7.956
  334   2HD   LYS  39           HD1      LYS  39  13.176   8.501  -9.416
  335   1HE   LYS  39           HE2      LYS  39  14.694  10.150 -10.127
  336   2HE   LYS  39           HE1      LYS  39  15.375  10.350  -8.513
  337   1HZ   LYS  39           HZ1      LYS  39  16.258   8.077  -8.688
  338   2HZ   LYS  39           HZ3      LYS  39  15.691   7.989 -10.284
  339   3HZ   LYS  39           HZ2      LYS  39  16.894   9.115  -9.872
  340    H    THR  40           HN       THR  40   8.732   9.875  -6.600
  341    HA   THR  40           HA       THR  40   7.719   8.885  -4.151
  342    HB   THR  40           HB       THR  40   6.526   8.123  -6.806
  343    HG1  THR  40           HG1      THR  40   6.492  10.152  -7.288
  344   1HG2  THR  40          HG21      THR  40   5.535   7.438  -4.567
  345   2HG2  THR  40          HG23      THR  40   5.234   9.151  -4.272
  346   3HG2  THR  40          HG22      THR  40   4.452   8.339  -5.628
  347    H    GLY  41           HN       GLY  41   7.841   6.885  -3.234
  348   1HA   GLY  41           HA2      GLY  41   9.216   4.738  -4.734
  349   2HA   GLY  41           HA1      GLY  41   8.888   4.740  -3.001
  350    NH1  ARG  42           NH1      ARG  42   5.073   1.902 -11.620
  351    NH2  ARG  42           NH2      ARG  42   3.789   3.634 -12.299
  352    H    ARG  42           HN       ARG  42   7.517   4.090  -6.170
  353    HA   ARG  42           HA       ARG  42   4.873   3.454  -5.339
  354   1HB   ARG  42           HB2      ARG  42   6.512   3.114  -7.749
  355   2HB   ARG  42           HB1      ARG  42   5.360   1.800  -7.515
  356   1HG   ARG  42           HG2      ARG  42   3.688   3.785  -6.999
  357   2HG   ARG  42           HG1      ARG  42   4.841   4.719  -7.953
  358   1HD   ARG  42           HD2      ARG  42   3.880   2.077  -9.002
  359   2HD   ARG  42           HD1      ARG  42   2.835   3.489  -9.147
  360    HE   ARG  42           HE       ARG  42   5.296   4.357 -10.106
  361   1HH1  ARG  42          HH11      ARG  42   5.622   1.456 -10.913
  362   2HH1  ARG  42          HH12      ARG  42   4.957   1.466 -12.513
  363   1HH2  ARG  42          HH21      ARG  42   3.355   4.516 -12.112
  364   2HH2  ARG  42          HH22      ARG  42   3.673   3.199 -13.192
  365    H    GLY  43           HN       GLY  43   3.955   1.210  -5.266
  366   1HA   GLY  43           HA2      GLY  43   5.824  -0.975  -4.660
  367   2HA   GLY  43           HA1      GLY  43   4.880  -0.411  -3.281
  368    H    ALA  44           HN       ALA  44   4.794  -3.011  -4.763
  369    HA   ALA  44           HA       ALA  44   1.891  -2.948  -5.488
  370   1HB   ALA  44           HB1      ALA  44   4.223  -4.143  -6.884
  371   2HB   ALA  44           HB3      ALA  44   2.779  -5.153  -6.798
  372   3HB   ALA  44           HB2      ALA  44   2.696  -3.557  -7.543
  373    H    VAL  45           HN       VAL  45   1.259  -3.559  -3.376
  374    HA   VAL  45           HA       VAL  45   2.398  -5.994  -2.170
  375    HB   VAL  45           HB       VAL  45   1.813  -4.063  -0.739
  376   1HG1  VAL  45          HG12      VAL  45  -0.974  -4.592  -1.798
  377   2HG1  VAL  45          HG11      VAL  45  -0.649  -3.606  -0.373
  378   3HG1  VAL  45          HG13      VAL  45  -0.036  -3.108  -1.949
  379   1HG2  VAL  45          HG23      VAL  45   1.610  -6.478   0.067
  380   2HG2  VAL  45          HG22      VAL  45   0.691  -5.286   0.986
  381   3HG2  VAL  45          HG21      VAL  45  -0.128  -6.319  -0.185
  382    H    SER  46           HN       SER  46   0.868  -7.764  -1.470
  383    HA   SER  46           HA       SER  46  -0.925  -8.450  -3.712
  384   1HB   SER  46           HB2      SER  46   0.134  -9.963  -1.323
  385   2HB   SER  46           HB1      SER  46  -1.152 -10.620  -2.330
  386    HG   SER  46           HG       SER  46   0.789 -11.313  -3.164
  387    H    GLU  47           HN       GLU  47  -3.048  -9.653  -2.902
  388    HA   GLU  47           HA       GLU  47  -4.575  -7.649  -1.409
  389   1HB   GLU  47           HB2      GLU  47  -5.314  -9.166  -3.445
  390   2HB   GLU  47           HB1      GLU  47  -5.700 -10.324  -2.171
  391   1HG   GLU  47           HG2      GLU  47  -6.970  -8.407  -1.030
  392   2HG   GLU  47           HG1      GLU  47  -6.823  -7.546  -2.563
  393    H    LYS  48           HN       LYS  48  -3.396 -10.946  -0.871
  394    HA   LYS  48           HA       LYS  48  -4.771 -11.277   1.667
  395   1HB   LYS  48           HB2      LYS  48  -2.465 -12.742   0.360
  396   2HB   LYS  48           HB1      LYS  48  -3.132 -13.205   1.926
  397   1HG   LYS  48           HG2      LYS  48  -5.354 -13.497   0.902
  398   2HG   LYS  48           HG1      LYS  48  -4.697 -13.024  -0.665
  399   1HD   LYS  48           HD2      LYS  48  -4.479 -15.303  -0.886
  400   2HD   LYS  48           HD1      LYS  48  -2.952 -14.975  -0.065
  401   1HE   LYS  48           HE2      LYS  48  -3.845 -15.613   2.057
  402   2HE   LYS  48           HE1      LYS  48  -5.497 -15.615   1.439
  403   1HZ   LYS  48           HZ1      LYS  48  -4.542 -17.376  -0.188
  404   2HZ   LYS  48           HZ3      LYS  48  -3.346 -17.568   1.000
  405   3HZ   LYS  48           HZ2      LYS  48  -4.979 -17.831   1.389
  406    H    ASP  49           HN       ASP  49  -1.607 -10.099   0.649
  407    HA   ASP  49           HA       ASP  49  -0.455 -10.018   3.302
  408   1HB   ASP  49           HB2      ASP  49   0.254  -8.959   0.604
  409   2HB   ASP  49           HB1      ASP  49   1.006  -8.186   2.000
  410    H    ALA  50           HN       ALA  50  -2.444  -7.826   1.407
  411    HA   ALA  50           HA       ALA  50  -1.969  -5.482   3.013
  412   1HB   ALA  50           HB1      ALA  50  -3.967  -6.309   0.954
  413   2HB   ALA  50           HB3      ALA  50  -4.385  -4.947   1.995
  414   3HB   ALA  50           HB2      ALA  50  -2.929  -4.883   1.002
  415    HA   PRO  51           HA       PRO  51  -4.337  -6.613   6.596
  416   1HB   PRO  51           HB2      PRO  51  -5.095  -3.922   7.229
  417   2HB   PRO  51           HB1      PRO  51  -3.777  -4.867   7.935
  418   1HG   PRO  51           HG2      PRO  51  -3.575  -2.632   6.117
  419   2HG   PRO  51           HG1      PRO  51  -2.261  -3.558   6.855
  420   1HD   PRO  51           HD2      PRO  51  -3.155  -3.630   4.113
  421   2HD   PRO  51           HD1      PRO  51  -1.826  -4.544   4.853
  422    H    LYS  52           HN       LYS  52  -6.608  -5.487   7.589
  423    HA   LYS  52           HA       LYS  52  -8.560  -5.950   5.405
  424   1HB   LYS  52           HB2      LYS  52  -8.700  -5.967   8.412
  425   2HB   LYS  52           HB1      LYS  52 -10.175  -5.835   7.455
  426   1HG   LYS  52           HG2      LYS  52  -9.672  -7.915   6.300
  427   2HG   LYS  52           HG1      LYS  52  -8.107  -8.024   7.106
  428   1HD   LYS  52           HD2      LYS  52  -9.050  -8.566   9.165
  429   2HD   LYS  52           HD1      LYS  52 -10.594  -7.809   8.771
  430   1HE   LYS  52           HE2      LYS  52  -9.672 -10.179   7.176
  431   2HE   LYS  52           HE1      LYS  52 -10.394 -10.434   8.765
  432   1HZ   LYS  52           HZ2      LYS  52 -12.308  -9.116   8.038
  433   2HZ   LYS  52           HZ1      LYS  52 -11.620  -8.966   6.492
  434   3HZ   LYS  52           HZ3      LYS  52 -12.084 -10.493   7.068
  435    H    GLU  53           HN       GLU  53  -7.333  -3.387   7.439
  436    HA   GLU  53           HA       GLU  53  -9.577  -1.595   6.702
  437   1HB   GLU  53           HB2      GLU  53  -7.321  -1.484   8.677
  438   2HB   GLU  53           HB1      GLU  53  -8.066   0.023   8.143
  439   1HG   GLU  53           HG2      GLU  53 -10.258  -0.745   8.859
  440   2HG   GLU  53           HG1      GLU  53  -9.608  -2.336   9.260
  441    H    LEU  54           HN       LEU  54  -7.772  -2.501   4.595
  442    HA   LEU  54           HA       LEU  54  -6.316   0.032   3.985
  443   1HB   LEU  54           HB2      LEU  54  -5.135  -2.300   3.975
  444   2HB   LEU  54           HB1      LEU  54  -5.972  -2.535   2.440
  445    HG   LEU  54           HG       LEU  54  -5.003  -0.311   1.694
  446   1HD1  LEU  54          HD12      LEU  54  -3.670  -0.654   4.364
  447   2HD1  LEU  54          HD11      LEU  54  -2.804   0.159   3.060
  448   3HD1  LEU  54          HD13      LEU  54  -4.341   0.805   3.636
  449   1HD2  LEU  54          HD23      LEU  54  -3.384  -2.768   2.294
  450   2HD2  LEU  54          HD22      LEU  54  -3.913  -2.138   0.735
  451   3HD2  LEU  54          HD21      LEU  54  -2.583  -1.361   1.594
  452    H    LEU  55           HN       LEU  55  -8.516  -2.394   2.568
  453    HA   LEU  55           HA       LEU  55  -8.970  -1.048   0.088
  454   1HB   LEU  55           HB2      LEU  55 -10.792  -2.832   1.733
  455   2HB   LEU  55           HB1      LEU  55 -11.156  -2.300   0.091
  456    HG   LEU  55           HG       LEU  55  -8.523  -3.625   0.683
  457   1HD1  LEU  55          HD12      LEU  55 -11.232  -4.876   0.590
  458   2HD1  LEU  55          HD11      LEU  55  -9.924  -5.708  -0.250
  459   3HD1  LEU  55          HD13      LEU  55  -9.793  -5.379   1.478
  460   1HD2  LEU  55          HD23      LEU  55 -10.267  -3.042  -1.682
  461   2HD2  LEU  55          HD22      LEU  55  -8.522  -2.859  -1.508
  462   3HD2  LEU  55          HD21      LEU  55  -9.221  -4.461  -1.745
  463    H    GLN  56           HN       GLN  56  -9.938  -0.294   3.317
  464    HA   GLN  56           HA       GLN  56 -12.318   1.087   3.165
  465   1HB   GLN  56           HB2      GLN  56  -9.952   1.063   4.838
  466   2HB   GLN  56           HB1      GLN  56 -10.582   2.704   4.715
  467   1HG   GLN  56           HG2      GLN  56 -12.402   0.366   5.289
  468   2HG   GLN  56           HG1      GLN  56 -11.539   1.196   6.584
  469   1HE2  GLN  56          HE22      GLN  56 -14.378   3.338   6.679
  470   2HE2  GLN  56          HE21      GLN  56 -13.543   2.092   7.473
  471    H    MET  57           HN       MET  57  -9.096   2.464   2.395
  472    HA   MET  57           HA       MET  57 -10.044   5.063   1.701
  473   1HB   MET  57           HB2      MET  57  -7.551   3.509   1.297
  474   2HB   MET  57           HB1      MET  57  -7.823   4.830   0.159
  475   1HG   MET  57           HG2      MET  57  -8.483   6.090   2.455
  476   2HG   MET  57           HG1      MET  57  -7.321   4.927   3.092
  477   1HE   MET  57           HE2      MET  57  -5.353   4.266   1.548
  478   2HE   MET  57           HE1      MET  57  -4.143   5.486   1.157
  479   3HE   MET  57           HE3      MET  57  -4.653   5.246   2.834
  480    H    LEU  58           HN       LEU  58  -9.653   2.116  -0.234
  481    HA   LEU  58           HA       LEU  58 -10.161   3.297  -2.781
  482   1HB   LEU  58           HB2      LEU  58  -9.339   0.893  -2.177
  483   2HB   LEU  58           HB1      LEU  58 -11.059   0.511  -2.105
  484    HG   LEU  58           HG       LEU  58 -10.902   1.931  -4.461
  485   1HD1  LEU  58          HD12      LEU  58  -8.409   1.935  -4.261
  486   2HD1  LEU  58          HD11      LEU  58  -8.437   0.171  -4.296
  487   3HD1  LEU  58          HD13      LEU  58  -8.981   1.090  -5.700
  488   1HD2  LEU  58          HD21      LEU  58 -10.966  -0.951  -3.698
  489   2HD2  LEU  58          HD23      LEU  58 -12.132  -0.008  -4.625
  490   3HD2  LEU  58          HD22      LEU  58 -10.653  -0.581  -5.394
  491    H    GLU  59           HN       GLU  59 -12.278   2.431  -0.180
  492    HA   GLU  59           HA       GLU  59 -14.620   3.154  -1.893
  493   1HB   GLU  59           HB2      GLU  59 -14.205   0.980   0.079
  494   2HB   GLU  59           HB1      GLU  59 -15.751   1.821   0.198
  495   1HG   GLU  59           HG2      GLU  59 -15.623   1.505  -2.484
  496   2HG   GLU  59           HG1      GLU  59 -14.702   0.088  -1.977
  497    H    LYS  60           HN       LYS  60 -12.877   4.954  -0.369
  498    HA   LYS  60           HA       LYS  60 -14.656   5.810   1.859
  499   1HB   LYS  60           HB2      LYS  60 -11.788   5.967   1.321
  500   2HB   LYS  60           HB1      LYS  60 -12.451   7.542   1.758
  501   1HG   LYS  60           HG2      LYS  60 -12.969   5.015   3.348
  502   2HG   LYS  60           HG1      LYS  60 -11.675   6.154   3.724
  503   1HD   LYS  60           HD2      LYS  60 -13.137   7.799   4.425
  504   2HD   LYS  60           HD1      LYS  60 -14.434   7.246   3.365
  505   1HE   LYS  60           HE2      LYS  60 -15.075   5.532   4.825
  506   2HE   LYS  60           HE1      LYS  60 -13.509   5.504   5.634
  507   1HZ   LYS  60           HZ2      LYS  60 -15.310   7.849   5.761
  508   2HZ   LYS  60           HZ1      LYS  60 -15.402   6.577   6.883
  509   3HZ   LYS  60           HZ3      LYS  60 -13.979   7.490   6.755
  510    H    GLN  61           HN       GLN  61 -16.304   7.006   0.985
  511    HA   GLN  61           HA       GLN  61 -15.569   9.130  -0.986
  512   1HB   GLN  61           HB2      GLN  61 -17.475   7.165  -1.237
  513   2HB   GLN  61           HB1      GLN  61 -18.433   8.508  -0.615
  514   1HG   GLN  61           HG2      GLN  61 -16.962   9.824  -2.464
  515   2HG   GLN  61           HG1      GLN  61 -17.027   8.231  -3.218
  516   1HE2  GLN  61          HE22      GLN  61 -20.206  10.563  -3.588
  517   2HE2  GLN  61          HE21      GLN  61 -18.633  11.104  -3.246
  518    H    LYS  62           HN       LYS  62 -15.903  11.236  -0.409
  519    HA   LYS  62           HA       LYS  62 -16.853  11.780   2.332
  520   1HB   LYS  62           HB2      LYS  62 -14.813  12.860   0.995
  521   2HB   LYS  62           HB1      LYS  62 -16.075  13.963   0.443
  522   1HG   LYS  62           HG2      LYS  62 -16.017  13.355   3.356
  523   2HG   LYS  62           HG1      LYS  62 -14.713  14.365   2.732
  524   1HD   LYS  62           HD2      LYS  62 -16.194  16.034   1.981
  525   2HD   LYS  62           HD1      LYS  62 -17.581  14.945   2.017
  526   1HE   LYS  62           HE2      LYS  62 -16.161  15.418   4.594
  527   2HE   LYS  62           HE1      LYS  62 -17.137  16.741   3.960
  528   1HZ   LYS  62           HZ1      LYS  62 -18.914  14.946   3.645
  529   2HZ   LYS  62           HZ3      LYS  62 -17.988  14.022   4.725
  530   3HZ   LYS  62           HZ2      LYS  62 -18.625  15.518   5.219
   
  No H/Q in entry =         530