*HEADER    TRANSFERASE                             21-FEB-97   1FYC      
*TITLE     INNER LIPOYL DOMAIN FROM HUMAN PYRUVATE DEHYDROGENASE (PDH)   
*TITLE    2 COMPLEX, NMR, 1 STRUCTURE                                    
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: DIHYDROLIPOAMIDE ACETYLTRANSFERASE (E2P);          
*COMPND   3 CHAIN: NULL;                                                 
*COMPND   4 FRAGMENT: LIPOYL DOMAIN;                                     
*COMPND   5 EC: 2.3.1.12;                                                
*COMPND   6 ENGINEERED: YES;                                             
*COMPND   7 OTHER_DETAILS: DIHYDROLIPOAMIDE ACETYLTRANSFERASE SUBUNIT    
*COMPND   8 OF THE PYRUVATE DEHYDROGENASE (PDH) MULTIENZYME COMPLEX      
*COMPND   9 (UNLIPOYLATED DOMAIN)                                        
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                           
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                      
*SOURCE   4 PLASMID: HLIP;                                               
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                         
*SOURCE   6 OTHER_DETAILS: EXPRESSED AS A GST FUSION PROTEIN             
*KEYWDS    TRANSFERASE, ACYLTRANSFERASE DIHYDROLIPOAMIDE, SUBUNIT,       
*KEYWDS   2 UNLIPOYLATED                                                 
*EXPDTA    NMR, 1 STRUCTURE                                              
*AUTHOR    M.J.HOWARD,C.FULLER,R.W.BROADHURST,J.QUINN,S.J.YEAMAN,        
*AUTHOR   2 R.N.PERHAM                                                   
*REVDAT   1   12-OCT-04 1FYC    0   

! ANSIG v3.3 XPLOR distance restraints file
! Distance corrections applied.
! Trivial distances output.

! residue 1    Gly , intraresidue NOEs

! residue 1    Gly , NOEs forward in sequence

! residue 2    Ser , intraresidue NOEs
assi (resi 2    and name HN  ) (resi 2    and name HA  )  5.00  5.00  1.00
assi (resi 2    and name HN  ) (resi 2    and name HB1 )  5.00  5.00  1.00
assi (resi 2    and name HN  ) (resi 2    and name HB2 )  5.00  5.00  1.00
assi (resi 2    and name HA  ) (resi 2    and name HB1 )  5.00  5.00  1.00
assi (resi 2    and name HA  ) (resi 2    and name HB2 )  5.00  5.00  1.00

! residue 2    Ser , NOEs forward in sequence

! residue 3    Asn , intraresidue NOEs
assi (resi 3    and name HN  ) (resi 3    and name HA  )  5.00  5.00  1.00
assi (resi 3    and name HN  ) (resi 3    and name HB1 )  5.00  5.00  1.00
assi (resi 3    and name HN  ) (resi 3    and name HB2 )  5.00  5.00  1.00
assi (resi 3    and name HA  ) (resi 3    and name HB1 )  5.00  5.00  1.00
assi (resi 3    and name HA  ) (resi 3    and name HB2 )  5.00  5.00  1.00

! residue 3    Asn , NOEs forward in sequence

! residue 4    Met , intraresidue NOEs
assi (resi 4    and name HN  ) (resi 4    and name HA  )  5.00  5.00  1.00
assi (resi 4    and name HN  ) (resi 4    and name HB1 )  5.00  5.00  1.00
assi (resi 4    and name HN  ) (resi 4    and name HB2 )  5.00  5.00  1.00
assi (resi 4    and name HN  ) (resi 4    and name HG# )  4.00  4.00  2.00
assi (resi 4    and name HA  ) (resi 4    and name HB1 )  4.00  4.00  1.00
assi (resi 4    and name HA  ) (resi 4    and name HB2 )  4.00  4.00  1.00
assi (resi 4    and name HA  ) (resi 4    and name HG# )  3.00  3.00  1.30

! residue 4    Met , NOEs forward in sequence

! residue 5    Ser , intraresidue NOEs
assi (resi 5    and name HN  ) (resi 5    and name HA  )  5.00  5.00  1.00
assi (resi 5    and name HN  ) (resi 5    and name HB1 )  5.00  5.00  1.00
assi (resi 5    and name HN  ) (resi 5    and name HB2 )  5.00  5.00  1.00
assi (resi 5    and name HA  ) (resi 5    and name HB1 )  5.00  5.00  1.00
assi (resi 5    and name HA  ) (resi 5    and name HB2 )  5.00  5.00  1.00

! residue 5    Ser , NOEs forward in sequence

! residue 6    Tyr , intraresidue NOEs
assi (resi 6    and name HN  ) (resi 6    and name HA  )  5.00  5.00  1.00
assi (resi 6    and name HN  ) (resi 6    and name HB1 )  5.00  5.00  1.00
assi (resi 6    and name HN  ) (resi 6    and name HB2 )  5.00  5.00  1.00
assi (resi 6    and name HA  ) (resi 6    and name HB1 )  5.00  5.00  1.00
assi (resi 6    and name HA  ) (resi 6    and name HB2 )  4.00  4.00  1.00

! residue 6    Tyr , NOEs forward in sequence

! residue 7    Pro , intraresidue NOEs

! residue 7    Pro , NOEs forward in sequence

! residue 8    Pro , intraresidue NOEs

! residue 8    Pro , NOEs forward in sequence

! residue 9    His , intraresidue NOEs
assi (resi 9    and name HN  ) (resi 9    and name HA  )  5.00  5.00  1.00
assi (resi 9    and name HN  ) (resi 9    and name HB1 )  5.00  5.00  1.00
assi (resi 9    and name HN  ) (resi 9    and name HB2 )  5.00  5.00  1.00
assi (resi 9    and name HA  ) (resi 9    and name HB1 )  5.00  5.00  1.00
assi (resi 9    and name HA  ) (resi 9    and name HB2 )  5.00  5.00  1.00
assi (resi 9    and name HB1 ) (resi 9    and name HD2 )  5.00  5.00  1.00
assi (resi 9    and name HB1 ) (resi 9    and name HE1 )  5.00  5.00  1.00
assi (resi 9    and name HB2 ) (resi 9    and name HD2 )  5.00  5.00  1.00
assi (resi 9    and name HB2 ) (resi 9    and name HE1 )  5.00  5.00  1.00

! residue 9    His , NOEs forward in sequence
assi (resi 9    and name HN  ) (resi 10   and name HN  )  5.00  5.00  1.00
assi (resi 9    and name HA  ) (resi 10   and name HN  )  5.00  5.00  1.00
assi (resi 9    and name HN  ) (resi 84   and name HB  )  5.00  5.00  1.00
assi (resi 9    and name HA  ) (resi 84   and name HB  )  5.00  5.00  1.00
assi (resi 9    and name HA  ) (resi 85   and name HA  )  5.00  5.00  1.00

! residue 10   Met , intraresidue NOEs
assi (resi 10   and name HN  ) (resi 10   and name HA  )  5.00  5.00  1.00
assi (resi 10   and name HN  ) (resi 10   and name HB1 )  5.00  5.00  1.00
assi (resi 10   and name HN  ) (resi 10   and name HB2 )  5.00  5.00  1.00
assi (resi 10   and name HN  ) (resi 10   and name HG# )  5.00  5.00  2.00
assi (resi 10   and name HA  ) (resi 10   and name HB1 )  5.00  5.00  1.00
assi (resi 10   and name HA  ) (resi 10   and name HB2 )  5.00  5.00  1.00
assi (resi 10   and name HA  ) (resi 10   and name HG# )  5.00  5.00  2.00
assi (resi 10   and name HB1 ) (resi 10   and name HG# )  3.00  3.00  1.30
assi (resi 10   and name HB2 ) (resi 10   and name HG# )  3.00  3.00  1.30

! residue 10   Met , NOEs forward in sequence
assi (resi 10   and name HA  ) (resi 11   and name HN  )  5.00  5.00  1.00
assi (resi 10   and name HG# ) (resi 57   and name HG# )  5.00  5.00  1.00
assi (resi 10   and name HG# ) (resi 57   and name HA  )  3.00  3.00  1.30
assi (resi 10   and name HN  ) (resi 83   and name HA  )  5.00  5.00  1.00
assi (resi 10   and name HB1 ) (resi 83   and name HA  )  3.00  3.00  0.30
assi (resi 10   and name HB2 ) (resi 83   and name HA  )  3.00  3.00  0.30
assi (resi 10   and name HN  ) (resi 84   and name HN  )  5.00  5.00  1.00
assi (resi 10   and name HB1 ) (resi 84   and name HN  )  5.00  5.00  1.00
assi (resi 10   and name HB2 ) (resi 84   and name HN  )  5.00  5.00  1.00

! residue 11   Gln , intraresidue NOEs
assi (resi 11   and name HN  ) (resi 11   and name HA  )  4.00  4.00  1.00
assi (resi 11   and name HN  ) (resi 11   and name HB1 )  4.00  4.00  1.00
assi (resi 11   and name HN  ) (resi 11   and name HB2 )  5.00  5.00  1.00
assi (resi 11   and name HN  ) (resi 11   and name HG# )  5.00  5.00  2.00
assi (resi 11   and name HA  ) (resi 11   and name HB1 )  4.00  4.00  1.00
assi (resi 11   and name HA  ) (resi 11   and name HB2 )  4.00  4.00  1.00
assi (resi 11   and name HA  ) (resi 11   and name HG# )  5.00  5.00  2.00
assi (resi 11   and name HB1 ) (resi 11   and name HG# )  3.00  3.00  1.30

! residue 11   Gln , NOEs forward in sequence
assi (resi 11   and name HA  ) (resi 12   and name HN  )  4.00  4.00  1.00
assi (resi 11   and name HB1 ) (resi 12   and name HN  )  5.00  5.00  1.00
assi (resi 11   and name HA  ) (resi 80   and name HG# )  5.00  5.00  3.50
assi (resi 11   and name HB1 ) (resi 80   and name HA  )  4.00  4.00  1.50
assi (resi 11   and name HB2 ) (resi 80   and name HA  )  4.00  4.00  1.50
assi (resi 11   and name HA  ) (resi 82   and name HN  )  5.00  5.00  1.50
assi (resi 11   and name HA  ) (resi 83   and name HA  )  5.00  5.00  1.00
assi (resi 11   and name HA  ) (resi 84   and name HN  )  5.00  5.00  1.00

! residue 12   Val , intraresidue NOEs
assi (resi 12   and name HN  ) (resi 12   and name HA  )  5.00  5.00  1.00
assi (resi 12   and name HN  ) (resi 12   and name HB  )  4.00  4.00  1.00
assi (resi 12   and name HN  ) (resi 12   and name HG1#)  5.00  5.00  1.30
assi (resi 12   and name HN  ) (resi 12   and name HG2#)  5.00  5.00  1.30
assi (resi 12   and name HA  ) (resi 12   and name HB  )  5.00  5.00  1.00
assi (resi 12   and name HA  ) (resi 12   and name HG1#)  4.00  4.00  1.30
assi (resi 12   and name HA  ) (resi 12   and name HG2#)  5.00  5.00  1.30
assi (resi 12   and name HB  ) (resi 12   and name HG1#)  5.00  5.00  1.30
assi (resi 12   and name HB  ) (resi 12   and name HG2#)  5.00  5.00  1.30

! residue 12   Val , NOEs forward in sequence
assi (resi 12   and name HN  ) (resi 13   and name HN  )  5.00  5.00  1.00
assi (resi 12   and name HA  ) (resi 13   and name HN  )  4.00  4.00  1.00
assi (resi 12   and name HG1#) (resi 55   and name HE2 )  4.00  4.00  2.00
assi (resi 12   and name HN  ) (resi 80   and name HG# )  5.00  5.00  2.00
assi (resi 12   and name HN  ) (resi 81   and name HN  )  5.00  5.00  1.00
assi (resi 12   and name HN  ) (resi 82   and name HN  )  5.00  5.00  1.00
assi (resi 12   and name HN  ) (resi 83   and name HA  )  5.00  5.00  1.00
assi (resi 12   and name HB  ) (resi 83   and name HN  )  5.00  5.00  1.00
assi (resi 12   and name HB  ) (resi 83   and name HA  )  5.00  5.00  1.00

! residue 13   Leu , intraresidue NOEs
assi (resi 13   and name HN  ) (resi 13   and name HA  )  5.00  5.00  1.00
assi (resi 13   and name HN  ) (resi 13   and name HG  )  4.00  4.00  1.00
assi (resi 13   and name HN  ) (resi 13   and name HD1#)  5.00  5.00  1.30
assi (resi 13   and name HN  ) (resi 13   and name HD2#)  5.00  5.00  1.30
assi (resi 13   and name HN  ) (resi 13   and name HB# )  4.00  4.00  2.00
assi (resi 13   and name HA  ) (resi 13   and name HG  )  5.00  5.00  1.00
assi (resi 13   and name HA  ) (resi 13   and name HD1#)  5.00  5.00  1.30
assi (resi 13   and name HA  ) (resi 13   and name HD2#)  5.00  5.00  1.30
assi (resi 13   and name HA  ) (resi 13   and name HB# )  5.00  5.00  2.00
assi (resi 13   and name HG  ) (resi 13   and name HD1#)  5.00  5.00  1.30
assi (resi 13   and name HG  ) (resi 13   and name HD2#)  4.00  4.00  1.30
assi (resi 13   and name HD1#) (resi 13   and name HB# )  5.00  5.00  2.30
assi (resi 13   and name HD2#) (resi 13   and name HB# )  4.00  4.00  2.30

! residue 13   Leu , NOEs forward in sequence
assi (resi 13   and name HN  ) (resi 14   and name HN  )  5.00  5.00  1.00
assi (resi 13   and name HA  ) (resi 14   and name HN  )  5.00  5.00  1.00
assi (resi 13   and name HB# ) (resi 14   and name HN  )  5.00  5.00  2.00
assi (resi 13   and name HD1#) (resi 78   and name HN  )  5.00  5.00  1.30
assi (resi 13   and name HD2#) (resi 78   and name HN  )  5.00  5.00  2.00
assi (resi 13   and name HA  ) (resi 79   and name HN  )  5.00  5.00  1.00
assi (resi 13   and name HA  ) (resi 79   and name HA  )  5.00  5.00  2.00
assi (resi 13   and name HN  ) (resi 80   and name HA  )  5.00  5.00  1.50
assi (resi 13   and name HA  ) (resi 80   and name HA  )  5.00  5.00  1.00
assi (resi 13   and name HB# ) (resi 80   and name HA  )  5.00  5.00  3.00
assi (resi 13   and name HD2#) (resi 81   and name HN  )  5.00  5.00  1.50

! residue 14   Leu , intraresidue NOEs
assi (resi 14   and name HN  ) (resi 14   and name HA  )  5.00  5.00  1.00
assi (resi 14   and name HN  ) (resi 14   and name HD1#)  5.00  5.00  1.30
assi (resi 14   and name HN  ) (resi 14   and name HB# )  5.00  5.00  2.00
assi (resi 14   and name HA  ) (resi 14   and name HD1#)  5.00  5.00  1.30
assi (resi 14   and name HA  ) (resi 14   and name HB# )  5.00  5.00  2.00
assi (resi 14   and name HD1#) (resi 14   and name HB# )  4.00  4.00  2.30

! residue 14   Leu , NOEs forward in sequence
assi (resi 14   and name HB# ) (resi 53   and name HG1#)  2.50  2.50  0.90
assi (resi 14   and name HB# ) (resi 75   and name HN  )  5.00  5.00  2.00
assi (resi 14   and name HB# ) (resi 77   and name HA  )  5.00  5.00  2.50
assi (resi 14   and name HN  ) (resi 78   and name HN  )  5.00  5.00  1.00
assi (resi 14   and name HN  ) (resi 78   and name HA1 )  5.00  5.00  1.00
assi (resi 14   and name HN  ) (resi 78   and name HA2 )  5.00  5.00  1.00
assi (resi 14   and name HB# ) (resi 78   and name HN  )  5.00  5.00  2.00
assi (resi 14   and name HB# ) (resi 78   and name HA1 )  5.00  5.00  2.00
assi (resi 14   and name HB# ) (resi 78   and name HA2 )  5.00  5.00  2.00
assi (resi 14   and name HN  ) (resi 81   and name HN  )  5.00  5.00  1.00

! residue 15   Pro , intraresidue NOEs

! residue 15   Pro , NOEs forward in sequence
assi (resi 15   and name HA  ) (resi 16   and name HN  )  5.00  5.00  1.00

! residue 16   Ala , 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# )  5.00  5.00  1.30
assi (resi 16   and name HA  ) (resi 16   and name HB# )  5.00  5.00  1.30

! residue 16   Ala , NOEs forward in sequence
assi (resi 16   and name HN  ) (resi 17   and name HN  )  2.50  2.50  0.30
assi (resi 16   and name HA  ) (resi 17   and name HN  )  4.00  4.00  1.00
assi (resi 16   and name HA  ) (resi 18   and name HN  )  4.00  4.00  1.00
assi (resi 16   and name HB# ) (resi 53   and name HD1#)  3.00  3.00  1.00
assi (resi 16   and name HN  ) (resi 77   and name HA  )  5.00  5.00  1.00
assi (resi 16   and name HN  ) (resi 77   and name HB# )  5.00  5.00  2.00
assi (resi 16   and name HN  ) (resi 78   and name HN  )  5.00  5.00  1.00

! residue 17   Leu , 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 HG  )  4.00  4.00  1.00
assi (resi 17   and name HN  ) (resi 17   and name HB# )  4.00  4.00  2.00
assi (resi 17   and name HA  ) (resi 17   and name HG  )  5.00  5.00  1.00
assi (resi 17   and name HA  ) (resi 17   and name HB# )  5.00  5.00  2.00

! residue 17   Leu , NOEs forward in sequence
assi (resi 17   and name HN  ) (resi 18   and name HN  )  5.00  5.00  1.00
assi (resi 17   and name HN  ) (resi 77   and name HN  )  5.00  5.00  1.00
assi (resi 17   and name HN  ) (resi 77   and name HA  )  5.00  5.00  1.00

! residue 18   Ser , intraresidue NOEs
assi (resi 18   and name HN  ) (resi 18   and name HA  )  5.00  5.00  1.00
assi (resi 18   and name HN  ) (resi 18   and name HB1 )  5.00  5.00  1.00
assi (resi 18   and name HN  ) (resi 18   and name HB2 )  4.00  4.00  1.00
assi (resi 18   and name HA  ) (resi 18   and name HB1 )  5.00  5.00  1.00
assi (resi 18   and name HA  ) (resi 18   and name HB2 )  4.00  4.00  1.00

! residue 18   Ser , NOEs forward in sequence
assi (resi 18   and name HA  ) (resi 20   and name HA  )  4.00  4.00  1.00
assi (resi 18   and name HN  ) (resi 21   and name HN  )  5.00  5.00  1.00

! residue 19   Pro , intraresidue NOEs

! residue 19   Pro , NOEs forward in sequence

! residue 20   Thr , intraresidue NOEs
assi (resi 20   and name HN  ) (resi 20   and name HA  )  5.00  5.00  1.00
assi (resi 20   and name HN  ) (resi 20   and name HB  )  4.00  4.00  1.00
assi (resi 20   and name HN  ) (resi 20   and name HG2#)  5.00  5.00  1.30
assi (resi 20   and name HA  ) (resi 20   and name HB  )  3.00  3.00  0.30
assi (resi 20   and name HA  ) (resi 20   and name HG2#)  5.00  5.00  1.30
assi (resi 20   and name HB  ) (resi 20   and name HG2#)  5.00  5.00  1.30

! residue 20   Thr , NOEs forward in sequence
assi (resi 20   and name HN  ) (resi 21   and name HN  )  5.00  5.00  1.00
assi (resi 20   and name HA  ) (resi 21   and name HN  )  4.00  4.00  1.00
assi (resi 20   and name HB  ) (resi 21   and name HN  )  5.00  5.00  1.00

! residue 21   Met , intraresidue NOEs
assi (resi 21   and name HN  ) (resi 21   and name HA  )  5.00  5.00  1.00
assi (resi 21   and name HN  ) (resi 21   and name HB1 )  5.00  5.00  1.00
assi (resi 21   and name HN  ) (resi 21   and name HB2 )  5.00  5.00  1.00
assi (resi 21   and name HN  ) (resi 21   and name HG1 )  5.00  5.00  1.00
assi (resi 21   and name HN  ) (resi 21   and name HG2 )  5.00  5.00  1.00
assi (resi 21   and name HA  ) (resi 21   and name HB1 )  5.00  5.00  1.00
assi (resi 21   and name HA  ) (resi 21   and name HB2 )  5.00  5.00  1.00
assi (resi 21   and name HA  ) (resi 21   and name HG1 )  5.00  5.00  1.00
assi (resi 21   and name HA  ) (resi 21   and name HG2 )  5.00  5.00  1.00

! residue 21   Met , NOEs forward in sequence
assi (resi 21   and name HA  ) (resi 23   and name HN  )  5.00  5.00  1.00
assi (resi 21   and name HB1 ) (resi 24   and name HN  )  4.00  4.00  1.00
assi (resi 21   and name HB2 ) (resi 24   and name HN  )  5.00  5.00  1.00
assi (resi 21   and name HN  ) (resi 76   and name HG# )  4.00  4.00  2.00

! residue 22   Thr , intraresidue NOEs
assi (resi 22   and name HN  ) (resi 22   and name HA  )  5.00  5.00  1.00
assi (resi 22   and name HN  ) (resi 22   and name HB  )  5.00  5.00  1.00
assi (resi 22   and name HN  ) (resi 22   and name HG2#)  5.00  5.00  1.30
assi (resi 22   and name HA  ) (resi 22   and name HB  )  3.00  3.00  0.30
assi (resi 22   and name HA  ) (resi 22   and name HG2#)  5.00  5.00  1.30
assi (resi 22   and name HB  ) (resi 22   and name HG2#)  5.00  5.00  1.30

! residue 22   Thr , NOEs forward in sequence
assi (resi 22   and name HN  ) (resi 23   and name HN  )  5.00  5.00  1.00
assi (resi 22   and name HA  ) (resi 23   and name HN  )  5.00  5.00  1.00

! residue 23   Met , intraresidue NOEs
assi (resi 23   and name HN  ) (resi 23   and name HA  )  5.00  5.00  1.00
assi (resi 23   and name HN  ) (resi 23   and name HG1 )  5.00  5.00  1.00
assi (resi 23   and name HN  ) (resi 23   and name HG2 )  5.00  5.00  1.00
assi (resi 23   and name HN  ) (resi 23   and name HB# )  5.00  5.00  2.00
assi (resi 23   and name HA  ) (resi 23   and name HG1 )  5.00  5.00  1.00
assi (resi 23   and name HA  ) (resi 23   and name HG2 )  5.00  5.00  1.00
assi (resi 23   and name HA  ) (resi 23   and name HB# )  4.00  4.00  2.00

! residue 23   Met , NOEs forward in sequence
assi (resi 23   and name HN  ) (resi 24   and name HN  )  5.00  5.00  1.00
assi (resi 23   and name HA  ) (resi 24   and name HN  )  4.00  4.00  1.00
assi (resi 23   and name HB# ) (resi 24   and name HN  )  4.00  4.00  2.00
assi (resi 23   and name HB# ) (resi 73   and name HG# )  3.00  3.00  2.30
assi (resi 23   and name HA  ) (resi 74   and name HN  )  5.00  5.00  1.00
assi (resi 23   and name HA  ) (resi 75   and name HB  )  5.00  5.00  1.00
assi (resi 23   and name HB# ) (resi 75   and name HA  )  5.00  5.00  2.00
assi (resi 23   and name HA  ) (resi 77   and name HN  )  5.00  5.00  1.50

! residue 24   Gly , intraresidue NOEs
assi (resi 24   and name HN  ) (resi 24   and name HA# )  4.00  4.00  2.00

! residue 24   Gly , NOEs forward in sequence
assi (resi 24   and name HA# ) (resi 25   and name HN  )  5.00  5.00  2.00
assi (resi 24   and name HA# ) (resi 46   and name HB  )  5.00  5.00  2.00
assi (resi 24   and name HA# ) (resi 47   and name HN  )  5.00  5.00  2.00
assi (resi 24   and name HA# ) (resi 48   and name HA  )  5.00  5.00  2.00
assi (resi 24   and name HN  ) (resi 73   and name HA  )  5.00  5.00  1.00
assi (resi 24   and name HN  ) (resi 74   and name HN  )  5.00  5.00  1.00
assi (resi 24   and name HN  ) (resi 75   and name HN  )  5.00  5.00  1.00
assi (resi 24   and name HN  ) (resi 75   and name HA  )  5.00  5.00  1.00

! residue 25   Thr , intraresidue NOEs
assi (resi 25   and name HN  ) (resi 25   and name HA  )  5.00  5.00  1.00
assi (resi 25   and name HN  ) (resi 25   and name HB  )  5.00  5.00  1.00
assi (resi 25   and name HN  ) (resi 25   and name HG2#)  5.00  5.00  1.30
assi (resi 25   and name HA  ) (resi 25   and name HB  )  5.00  5.00  1.00
assi (resi 25   and name HA  ) (resi 25   and name HG2#)  5.00  5.00  1.30
assi (resi 25   and name HB  ) (resi 25   and name HG2#)  5.00  5.00  1.30

! residue 25   Thr , NOEs forward in sequence
assi (resi 25   and name HA  ) (resi 26   and name HN  )  4.00  4.00  1.00
assi (resi 25   and name HB  ) (resi 26   and name HN  )  5.00  5.00  1.00
assi (resi 25   and name HN  ) (resi 46   and name HA  )  5.00  5.00  1.00
assi (resi 25   and name HN  ) (resi 47   and name HN  )  5.00  5.00  1.00
assi (resi 25   and name HN  ) (resi 47   and name HB1 )  5.00  5.00  1.00
assi (resi 25   and name HN  ) (resi 47   and name HB2 )  5.00  5.00  1.00
assi (resi 25   and name HA  ) (resi 73   and name HA  )  5.00  5.00  1.00
assi (resi 25   and name HB  ) (resi 73   and name HA  )  5.00  5.00  1.00
assi (resi 25   and name HA  ) (resi 74   and name HN  )  5.00  5.00  1.00

! residue 26   Val , intraresidue NOEs
assi (resi 26   and name HN  ) (resi 26   and name HA  )  5.00  5.00  1.00
assi (resi 26   and name HN  ) (resi 26   and name HB  )  5.00  5.00  1.00
assi (resi 26   and name HN  ) (resi 26   and name HG1#)  5.00  5.00  1.30
assi (resi 26   and name HN  ) (resi 26   and name HG2#)  5.00  5.00  1.30
assi (resi 26   and name HA  ) (resi 26   and name HB  )  4.00  4.00  1.00
assi (resi 26   and name HA  ) (resi 26   and name HG1#)  5.00  5.00  1.30
assi (resi 26   and name HA  ) (resi 26   and name HG2#)  5.00  5.00  1.30
assi (resi 26   and name HB  ) (resi 26   and name HG1#)  5.00  5.00  1.30
assi (resi 26   and name HB  ) (resi 26   and name HG2#)  4.00  4.00  1.30

! residue 26   Val , NOEs forward in sequence
assi (resi 26   and name HA  ) (resi 27   and name HN  )  4.00  4.00  1.00
assi (resi 26   and name HA  ) (resi 28   and name HN  )  5.00  5.00  1.00
assi (resi 26   and name HA  ) (resi 44   and name HB# )  5.00  5.00  2.00
assi (resi 26   and name HG1#) (resi 45   and name HN  )  5.00  5.00  1.30
assi (resi 26   and name HA  ) (resi 46   and name HB  )  5.00  5.00  1.00
assi (resi 26   and name HA  ) (resi 46   and name HD1#)  5.00  5.00  1.30
assi (resi 26   and name HA  ) (resi 47   and name HN  )  4.00  4.00  1.00
assi (resi 26   and name HN  ) (resi 71   and name HN  )  5.00  5.00  1.00
assi (resi 26   and name HB  ) (resi 71   and name HN  )  5.00  5.00  1.00
assi (resi 26   and name HN  ) (resi 72   and name HN  )  5.00  5.00  1.00
assi (resi 26   and name HB  ) (resi 72   and name HN  )  5.00  5.00  1.00
assi (resi 26   and name HN  ) (resi 73   and name HA  )  5.00  5.00  1.00
assi (resi 26   and name HN  ) (resi 74   and name HN  )  5.00  5.00  1.00

! residue 27   Gln , intraresidue NOEs
assi (resi 27   and name HN  ) (resi 27   and name HA  )  5.00  5.00  1.00
assi (resi 27   and name HN  ) (resi 27   and name HB1 )  5.00  5.00  1.00
assi (resi 27   and name HN  ) (resi 27   and name HB2 )  5.00  5.00  1.00
assi (resi 27   and name HN  ) (resi 27   and name HG1 )  5.00  5.00  1.00
assi (resi 27   and name HN  ) (resi 27   and name HG2 )  5.00  5.00  1.00
assi (resi 27   and name HA  ) (resi 27   and name HB1 )  4.00  4.00  1.00
assi (resi 27   and name HA  ) (resi 27   and name HB2 )  4.00  4.00  1.00
assi (resi 27   and name HA  ) (resi 27   and name HG1 )  5.00  5.00  1.00
assi (resi 27   and name HA  ) (resi 27   and name HG2 )  5.00  5.00  1.00
assi (resi 27   and name HB1 ) (resi 27   and name HG1 )  3.00  3.00  0.30
assi (resi 27   and name HB1 ) (resi 27   and name HG2 )  5.00  5.00  1.00

! residue 27   Gln , NOEs forward in sequence
assi (resi 27   and name HA  ) (resi 28   and name HN  )  5.00  5.00  1.00
assi (resi 27   and name HB1 ) (resi 28   and name HN  )  4.00  4.00  1.00
assi (resi 27   and name HB2 ) (resi 28   and name HN  )  4.00  4.00  1.00
assi (resi 27   and name HB1 ) (resi 45   and name HN  )  4.00  4.00  1.00
assi (resi 27   and name HB2 ) (resi 45   and name HN  )  5.00  5.00  1.00
assi (resi 27   and name HN  ) (resi 46   and name HN  )  3.00  3.00  1.00
assi (resi 27   and name HN  ) (resi 46   and name HA  )  4.00  4.00  1.00
assi (resi 27   and name HN  ) (resi 47   and name HN  )  5.00  5.00  1.00
assi (resi 27   and name HB1 ) (resi 47   and name HN  )  5.00  5.00  1.00
assi (resi 27   and name HB2 ) (resi 47   and name HN  )  5.00  5.00  1.00

! residue 28   Arg , intraresidue NOEs
assi (resi 28   and name HN  ) (resi 28   and name HA  )  5.00  5.00  1.00
assi (resi 28   and name HN  ) (resi 28   and name HB1 )  5.00  5.00  1.00
assi (resi 28   and name HN  ) (resi 28   and name HB2 )  5.00  5.00  1.00
assi (resi 28   and name HN  ) (resi 28   and name HD1 )  5.00  5.00  1.00
assi (resi 28   and name HN  ) (resi 28   and name HD2 )  5.00  5.00  1.00
assi (resi 28   and name HN  ) (resi 28   and name HG# )  5.00  5.00  2.00
assi (resi 28   and name HN  ) (resi 28   and name HD# )  5.00  5.00  2.00
assi (resi 28   and name HA  ) (resi 28   and name HB1 )  5.00  5.00  1.00
assi (resi 28   and name HA  ) (resi 28   and name HB2 )  5.00  5.00  1.00
assi (resi 28   and name HA  ) (resi 28   and name HD1 )  5.00  5.00  1.00
assi (resi 28   and name HA  ) (resi 28   and name HD2 )  5.00  5.00  1.00
assi (resi 28   and name HA  ) (resi 28   and name HG# )  5.00  5.00  2.00
assi (resi 28   and name HA  ) (resi 28   and name HD# )  5.00  5.00  2.00
assi (resi 28   and name HB1 ) (resi 28   and name HD1 )  4.00  4.00  1.00
assi (resi 28   and name HB1 ) (resi 28   and name HD2 )  4.00  4.00  1.00
assi (resi 28   and name HB1 ) (resi 28   and name HD# )  5.00  5.00  2.00
assi (resi 28   and name HB2 ) (resi 28   and name HD1 )  4.00  4.00  1.00
assi (resi 28   and name HB2 ) (resi 28   and name HD2 )  4.00  4.00  1.00
assi (resi 28   and name HB2 ) (resi 28   and name HG# )  3.00  3.00  1.30
assi (resi 28   and name HB2 ) (resi 28   and name HD# )  5.00  5.00  2.00
assi (resi 28   and name HD1 ) (resi 28   and name HG# )  5.00  5.00  2.00
assi (resi 28   and name HD1 ) (resi 28   and name HD# )  5.00  5.00  2.00
assi (resi 28   and name HD2 ) (resi 28   and name HG# )  5.00  5.00  2.00
assi (resi 28   and name HD2 ) (resi 28   and name HD# )  5.00  5.00  2.00
assi (resi 28   and name HG# ) (resi 28   and name HD# )  5.00  5.00  3.00

! residue 28   Arg , NOEs forward in sequence
assi (resi 28   and name HA  ) (resi 29   and name HN  )  5.00  5.00  1.00
assi (resi 28   and name HN  ) (resi 30   and name HN  )  5.00  5.00  1.50
assi (resi 28   and name HN  ) (resi 45   and name HN  )  5.00  5.00  1.00
assi (resi 28   and name HN  ) (resi 45   and name HB1 )  5.00  5.00  1.00
assi (resi 28   and name HN  ) (resi 45   and name HB2 )  5.00  5.00  1.00
assi (resi 28   and name HN  ) (resi 45   and name HG# )  4.00  4.00  2.00
assi (resi 28   and name HB2 ) (resi 45   and name HN  )  5.00  5.00  1.00
assi (resi 28   and name HN  ) (resi 70   and name HB1 )  4.00  4.00  1.00
assi (resi 28   and name HA  ) (resi 70   and name HG1 )  5.00  5.00  1.00
assi (resi 28   and name HA  ) (resi 70   and name HG2 )  5.00  5.00  1.00

! residue 29   Trp , intraresidue NOEs
assi (resi 29   and name HN  ) (resi 29   and name HA  )  5.00  5.00  1.00
assi (resi 29   and name HN  ) (resi 29   and name HB1 )  5.00  5.00  1.00
assi (resi 29   and name HN  ) (resi 29   and name HB2 )  5.00  5.00  1.00
assi (resi 29   and name HN  ) (resi 29   and name HD1 )  5.00  5.00  1.00
assi (resi 29   and name HN  ) (resi 29   and name HE1 )  5.00  5.00  1.00
assi (resi 29   and name HA  ) (resi 29   and name HB1 )  5.00  5.00  1.00
assi (resi 29   and name HA  ) (resi 29   and name HB2 )  5.00  5.00  1.00
assi (resi 29   and name HA  ) (resi 29   and name HE1 )  5.00  5.00  1.00
assi (resi 29   and name HB1 ) (resi 29   and name HD1 )  5.00  5.00  1.00
assi (resi 29   and name HB1 ) (resi 29   and name HE1 )  5.00  5.00  1.00
assi (resi 29   and name HB1 ) (resi 29   and name HE3 )  5.00  5.00  1.00
assi (resi 29   and name HB1 ) (resi 29   and name HZ2 )  5.00  5.00  1.50
assi (resi 29   and name HB2 ) (resi 29   and name HD1 )  5.00  5.00  1.00
assi (resi 29   and name HB2 ) (resi 29   and name HE1 )  5.00  5.00  1.00
assi (resi 29   and name HB2 ) (resi 29   and name HE3 )  5.00  5.00  1.00
assi (resi 29   and name HB2 ) (resi 29   and name HZ2 )  5.00  5.00  1.00
assi (resi 29   and name HB2 ) (resi 29   and name HH2 )  5.00  5.00  1.00

! residue 29   Trp , NOEs forward in sequence
assi (resi 29   and name HN  ) (resi 30   and name HN  )  5.00  5.00  1.00
assi (resi 29   and name HA  ) (resi 30   and name HN  )  5.00  5.00  1.00
assi (resi 29   and name HB1 ) (resi 30   and name HN  )  5.00  5.00  1.00
assi (resi 29   and name HB2 ) (resi 30   and name HN  )  5.00  5.00  1.00
assi (resi 29   and name HB1 ) (resi 31   and name HN  )  5.00  5.00  1.00
assi (resi 29   and name HB2 ) (resi 31   and name HN  )  5.00  5.00  1.00
assi (resi 29   and name HE3 ) (resi 31   and name HN  )  5.00  5.00  1.00
assi (resi 29   and name HE3 ) (resi 31   and name HG1 )  5.00  5.00  1.00
assi (resi 29   and name HE3 ) (resi 31   and name HB# )  5.00  5.00  2.00
assi (resi 29   and name HB1 ) (resi 42   and name HG  )  4.00  4.00  1.50
assi (resi 29   and name HB2 ) (resi 42   and name HG  )  5.00  5.00  1.00
assi (resi 29   and name HE3 ) (resi 42   and name HG  )  5.00  5.00  1.00
assi (resi 29   and name HZ2 ) (resi 42   and name HG  )  5.00  5.00  2.00
assi (resi 29   and name HZ2 ) (resi 42   and name HD# )  5.00  5.00  3.40
assi (resi 29   and name HZ3 ) (resi 42   and name HB# )  5.00  5.00  2.00
assi (resi 29   and name HZ3 ) (resi 42   and name HD# )  5.00  5.00  3.40
assi (resi 29   and name HH2 ) (resi 42   and name HG  )  5.00  5.00  2.00
assi (resi 29   and name HN  ) (resi 44   and name HB# )  5.00  5.00  2.00
assi (resi 29   and name HA  ) (resi 44   and name HA  )  4.00  4.00  1.00
assi (resi 29   and name HD1 ) (resi 44   and name HB# )  5.00  5.00  1.30
assi (resi 29   and name HE1 ) (resi 44   and name HB# )  5.00  5.00  1.30
assi (resi 29   and name HE3 ) (resi 44   and name HN  )  4.00  4.00  1.00
assi (resi 29   and name HE3 ) (resi 44   and name HA  )  5.00  5.00  1.00
assi (resi 29   and name HE3 ) (resi 44   and name HB# )  5.00  5.00  1.30
assi (resi 29   and name HZ2 ) (resi 44   and name HB# )  5.00  5.00  1.30
assi (resi 29   and name HZ3 ) (resi 44   and name HB# )  5.00  5.00  1.30
assi (resi 29   and name HH2 ) (resi 44   and name HN  )  5.00  5.00  1.50
assi (resi 29   and name HH2 ) (resi 44   and name HB# )  5.00  5.00  1.30
assi (resi 29   and name HA  ) (resi 45   and name HN  )  5.00  5.00  1.00
assi (resi 29   and name HE1 ) (resi 46   and name HD1#)  5.00  5.00  1.30
assi (resi 29   and name HE3 ) (resi 55   and name HB2 )  5.00  5.00  1.00
assi (resi 29   and name HE3 ) (resi 55   and name HE2 )  5.00  5.00  2.50
assi (resi 29   and name HZ2 ) (resi 55   and name HB1 )  5.00  5.00  1.50
assi (resi 29   and name HZ2 ) (resi 55   and name HD# )  5.00  5.00  3.00
assi (resi 29   and name HZ3 ) (resi 55   and name HD# )  5.00  5.00  2.00
assi (resi 29   and name HH2 ) (resi 55   and name HB1 )  4.00  4.00  1.50
assi (resi 29   and name HH2 ) (resi 55   and name HB2 )  5.00  5.00  1.30
!assi (resi 29   and name HE1 ) (resi 57   and name HG# )  5.00  5.00  3.40
assi (resi 29   and name HZ3 ) (resi 57   and name HN  )  5.00  5.00  1.00
assi (resi 29   and name HZ3 ) (resi 61   and name HA1 )  5.00  5.00  1.00
assi (resi 29   and name HZ3 ) (resi 61   and name HA2 )  5.00  5.00  1.00
assi (resi 29   and name HH2 ) (resi 61   and name HA1 )  5.00  5.00  1.50
assi (resi 29   and name HE3 ) (resi 63   and name HD# )  5.00  5.00  4.00
assi (resi 29   and name HZ2 ) (resi 63   and name HD# )  5.00  5.00  4.00
assi (resi 29   and name HZ3 ) (resi 63   and name HD# )  5.00  5.00  3.40
assi (resi 29   and name HH2 ) (resi 63   and name HD# )  5.00  5.00  3.40
assi (resi 29   and name HE1 ) (resi 66   and name HB  )  5.00  5.00  2.00
assi (resi 29   and name HE1 ) (resi 66   and name HG11)  5.00  5.00  1.50
assi (resi 29   and name HE1 ) (resi 66   and name HG12)  4.00  4.00  1.00
assi (resi 29   and name HE3 ) (resi 66   and name HG11)  5.00  5.00  1.00
assi (resi 29   and name HZ2 ) (resi 66   and name HA  )  5.00  5.00  1.00
assi (resi 29   and name HZ2 ) (resi 66   and name HG12)  5.00  5.00  1.00
assi (resi 29   and name HZ3 ) (resi 66   and name HG11)  5.00  5.00  1.00
assi (resi 29   and name HH2 ) (resi 66   and name HG12)  5.00  5.00  1.00
assi (resi 29   and name HH2 ) (resi 66   and name HG2#)  5.00  5.00  1.30
assi (resi 29   and name HZ2 ) (resi 67   and name HN  )  5.00  5.00  1.00
assi (resi 29   and name HE1 ) (resi 68   and name HN  )  5.00  5.00  1.00
assi (resi 29   and name HE1 ) (resi 68   and name HB  )  5.00  5.00  1.00
assi (resi 29   and name HE1 ) (resi 68   and name HG# )  5.00  5.00  3.40
assi (resi 29   and name HZ2 ) (resi 68   and name HN  )  5.00  5.00  1.00
assi (resi 29   and name HZ2 ) (resi 68   and name HB  )  5.00  5.00  1.00
assi (resi 29   and name HE1 ) (resi 69   and name HA  )  5.00  5.00  1.00
assi (resi 29   and name HN  ) (resi 70   and name HN  )  3.00  3.00  0.30
assi (resi 29   and name HN  ) (resi 70   and name HB1 )  5.00  5.00  1.00
assi (resi 29   and name HN  ) (resi 70   and name HB2 )  5.00  5.00  1.00
assi (resi 29   and name HB1 ) (resi 70   and name HN  )  5.00  5.00  1.00
assi (resi 29   and name HB2 ) (resi 70   and name HN  )  5.00  5.00  1.00
assi (resi 29   and name HE1 ) (resi 70   and name HN  )  5.00  5.00  1.00
assi (resi 29   and name HE1 ) (resi 70   and name HA  )  5.00  5.00  1.00
assi (resi 29   and name HE1 ) (resi 70   and name HB1 )  5.00  5.00  1.00
assi (resi 29   and name HE1 ) (resi 70   and name HB2 )  5.00  5.00  1.00
assi (resi 29   and name HE1 ) (resi 70   and name HG1 )  5.00  5.00  1.00
assi (resi 29   and name HE1 ) (resi 70   and name HG2 )  5.00  5.00  1.00
assi (resi 29   and name HE1 ) (resi 81   and name HA  )  5.00  5.00  1.00
assi (resi 29   and name HZ2 ) (resi 81   and name HN  )  5.00  5.00  1.00
assi (resi 29   and name HH2 ) (resi 81   and name HD1#)  5.00  5.00  1.30
assi (resi 29   and name HH2 ) (resi 81   and name HD2#)  5.00  5.00  1.30
assi (resi 29   and name HE1 ) (resi 82   and name HA  )  5.00  5.00  1.50
assi (resi 29   and name HZ2 ) (resi 82   and name HN  )  4.00  4.00  1.00
assi (resi 29   and name HH2 ) (resi 82   and name HN  )  4.00  4.00  1.00
assi (resi 29   and name HE3 ) (resi 84   and name HG11)  5.00  5.00  1.00
assi (resi 29   and name HE3 ) (resi 84   and name HG12)  5.00  5.00  1.00
assi (resi 29   and name HZ2 ) (resi 84   and name HD1#)  5.00  5.00  1.30
assi (resi 29   and name HZ3 ) (resi 84   and name HD1#)  5.00  5.00  1.30
assi (resi 29   and name HH2 ) (resi 84   and name HG2#)  5.00  5.00  1.30
assi (resi 29   and name HH2 ) (resi 84   and name HD1#)  5.00  5.00  1.30

! residue 30   Glu , intraresidue NOEs
assi (resi 30   and name HN  ) (resi 30   and name HA  )  4.00  4.00  1.00

! residue 30   Glu , NOEs forward in sequence
assi (resi 30   and name HN  ) (resi 31   and name HN  )  5.00  5.00  1.00
assi (resi 30   and name HA  ) (resi 31   and name HN  )  5.00  5.00  1.00
assi (resi 30   and name HA  ) (resi 42   and name HG  )  5.00  5.00  2.00

! residue 31   Lys , intraresidue NOEs
assi (resi 31   and name HN  ) (resi 31   and name HA  )  5.00  5.00  1.00
assi (resi 31   and name HN  ) (resi 31   and name HG1 )  5.00  5.00  1.00
assi (resi 31   and name HN  ) (resi 31   and name HB# )  5.00  5.00  2.00
assi (resi 31   and name HA  ) (resi 31   and name HG1 )  5.00  5.00  1.00
assi (resi 31   and name HA  ) (resi 31   and name HB# )  5.00  5.00  2.00
assi (resi 31   and name HG1 ) (resi 31   and name HB# )  3.00  3.00  1.30

! residue 31   Lys , NOEs forward in sequence
assi (resi 31   and name HE# ) (resi 37   and name HG  )  5.00  5.00  2.00
assi (resi 31   and name HN  ) (resi 42   and name HG  )  5.00  5.00  1.00
assi (resi 31   and name HA  ) (resi 43   and name HA  )  5.00  5.00  3.00
assi (resi 31   and name HB# ) (resi 63   and name HD# )  5.00  5.00  4.40
assi (resi 31   and name HB# ) (resi 66   and name HG11)  5.00  5.00  2.00
assi (resi 31   and name HB# ) (resi 66   and name HG12)  5.00  5.00  2.00
assi (resi 31   and name HB# ) (resi 66   and name HG2#)  5.00  5.00  2.30

! residue 32   Lys , intraresidue NOEs
assi (resi 32   and name HN  ) (resi 32   and name HA  )  5.00  5.00  1.00
assi (resi 32   and name HN  ) (resi 32   and name HB1 )  4.00  4.00  1.00
assi (resi 32   and name HN  ) (resi 32   and name HB2 )  4.00  4.00  1.00
assi (resi 32   and name HN  ) (resi 32   and name HG2 )  4.00  4.00  1.00
assi (resi 32   and name HN  ) (resi 32   and name HD1 )  5.00  5.00  1.00
assi (resi 32   and name HN  ) (resi 32   and name HD2 )  4.00  4.00  1.00
assi (resi 32   and name HN  ) (resi 32   and name HE1 )  5.00  5.00  1.00
assi (resi 32   and name HN  ) (resi 32   and name HE2 )  5.00  5.00  1.00
assi (resi 32   and name HA  ) (resi 32   and name HB1 )  5.00  5.00  1.00
assi (resi 32   and name HA  ) (resi 32   and name HB2 )  5.00  5.00  1.00
assi (resi 32   and name HA  ) (resi 32   and name HG2 )  5.00  5.00  1.00
assi (resi 32   and name HA  ) (resi 32   and name HD1 )  5.00  5.00  1.00
assi (resi 32   and name HA  ) (resi 32   and name HD2 )  5.00  5.00  1.00
assi (resi 32   and name HA  ) (resi 32   and name HE1 )  5.00  5.00  1.00
assi (resi 32   and name HA  ) (resi 32   and name HE2 )  5.00  5.00  1.00
assi (resi 32   and name HB1 ) (resi 32   and name HG2 )  3.00  3.00  0.30
assi (resi 32   and name HB1 ) (resi 32   and name HD1 )  3.00  3.00  0.30
assi (resi 32   and name HB1 ) (resi 32   and name HE1 )  5.00  5.00  1.00
assi (resi 32   and name HB1 ) (resi 32   and name HE2 )  4.00  4.00  1.00
assi (resi 32   and name HB2 ) (resi 32   and name HG2 )  3.00  3.00  0.30
assi (resi 32   and name HB2 ) (resi 32   and name HD1 )  3.00  3.00  0.30
assi (resi 32   and name HB2 ) (resi 32   and name HE1 )  4.00  4.00  1.00
assi (resi 32   and name HB2 ) (resi 32   and name HE2 )  4.00  4.00  1.00
assi (resi 32   and name HG2 ) (resi 32   and name HD2 )  4.00  4.00  1.00
assi (resi 32   and name HG2 ) (resi 32   and name HE1 )  5.00  5.00  1.00
assi (resi 32   and name HG2 ) (resi 32   and name HE2 )  5.00  5.00  1.00
assi (resi 32   and name HD1 ) (resi 32   and name HE1 )  5.00  5.00  1.00
assi (resi 32   and name HD1 ) (resi 32   and name HE2 )  5.00  5.00  1.00
assi (resi 32   and name HD2 ) (resi 32   and name HE1 )  5.00  5.00  1.00
assi (resi 32   and name HD2 ) (resi 32   and name HE2 )  5.00  5.00  1.00

! residue 32   Lys , NOEs forward in sequence
assi (resi 32   and name HN  ) (resi 33   and name HN  )  5.00  5.00  1.00
assi (resi 32   and name HA  ) (resi 33   and name HN  )  4.00  4.00  1.00
assi (resi 32   and name HN  ) (resi 35   and name HN  )  5.00  5.00  1.00
assi (resi 32   and name HN  ) (resi 35   and name HA  )  4.00  4.00  1.00
assi (resi 32   and name HN  ) (resi 35   and name HB1 )  5.00  5.00  1.00
assi (resi 32   and name HN  ) (resi 35   and name HB2 )  4.00  4.00  1.00
assi (resi 32   and name HN  ) (resi 63   and name HB# )  5.00  5.00  2.00
assi (resi 32   and name HA  ) (resi 66   and name HG2#)  5.00  5.00  1.30

! residue 33   Val , 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  )  5.00  5.00  1.00
assi (resi 33   and name HN  ) (resi 33   and name HG# )  5.00  5.00  3.40
assi (resi 33   and name HA  ) (resi 33   and name HB  )  5.00  5.00  1.00
assi (resi 33   and name HA  ) (resi 33   and name HG# )  5.00  5.00  3.40
assi (resi 33   and name HB  ) (resi 33   and name HG# )  5.00  5.00  3.40

! residue 33   Val , NOEs forward in sequence
assi (resi 33   and name HN  ) (resi 34   and name HN  )  3.00  3.00  1.50
assi (resi 33   and name HA  ) (resi 34   and name HN  )  4.00  4.00  1.00
assi (resi 33   and name HA  ) (resi 34   and name HA# )  4.00  4.00  1.00
assi (resi 33   and name HB  ) (resi 35   and name HN  )  5.00  5.00  1.00
assi (resi 33   and name HN  ) (resi 63   and name HB# )  5.00  5.00  2.00
assi (resi 33   and name HA  ) (resi 63   and name HB# )  4.00  4.00  2.00
assi (resi 33   and name HN  ) (resi 66   and name HB  )  5.00  5.00  1.00

! residue 34   Gly , intraresidue NOEs
assi (resi 34   and name HN  ) (resi 34   and name HA# )  4.00  4.00  2.00

! residue 34   Gly , NOEs forward in sequence
assi (resi 34   and name HN  ) (resi 35   and name HN  )  4.00  4.00  1.00
assi (resi 34   and name HA# ) (resi 35   and name HN  )  4.00  4.00  2.00
assi (resi 34   and name HA# ) (resi 35   and name HA  )  5.00  5.00  2.00
assi (resi 34   and name HA# ) (resi 62   and name HA  )  5.00  5.00  2.00
assi (resi 34   and name HN  ) (resi 63   and name HN  )  5.00  5.00  1.00
assi (resi 34   and name HA# ) (resi 63   and name HN  )  5.00  5.00  2.00
assi (resi 34   and name HN  ) (resi 64   and name HN  )  5.00  5.00  1.00
assi (resi 34   and name HA# ) (resi 66   and name HG2#)  5.00  5.00  3.00

! residue 35   Glu , intraresidue NOEs
assi (resi 35   and name HN  ) (resi 35   and name HA  )  5.00  5.00  1.00
assi (resi 35   and name HN  ) (resi 35   and name HB1 )  4.00  4.00  1.00
assi (resi 35   and name HN  ) (resi 35   and name HB2 )  4.00  4.00  1.00
assi (resi 35   and name HN  ) (resi 35   and name HG1 )  5.00  5.00  1.00
assi (resi 35   and name HN  ) (resi 35   and name HG2 )  5.00  5.00  1.00
assi (resi 35   and name HA  ) (resi 35   and name HB1 )  4.00  4.00  1.00
assi (resi 35   and name HA  ) (resi 35   and name HB2 )  4.00  4.00  1.00
assi (resi 35   and name HA  ) (resi 35   and name HG1 )  4.00  4.00  1.00
assi (resi 35   and name HA  ) (resi 35   and name HG2 )  5.00  5.00  1.00

! residue 35   Glu , NOEs forward in sequence
assi (resi 35   and name HN  ) (resi 36   and name HN  )  4.00  4.00  1.00
assi (resi 35   and name HA  ) (resi 36   and name HN  )  5.00  5.00  1.00
assi (resi 35   and name HB1 ) (resi 36   and name HN  )  5.00  5.00  1.00
assi (resi 35   and name HB2 ) (resi 36   and name HN  )  5.00  5.00  1.00
assi (resi 35   and name HN  ) (resi 62   and name HD# )  5.00  5.00  3.00
assi (resi 35   and name HN  ) (resi 63   and name HN  )  5.00  5.00  1.00
assi (resi 35   and name HB1 ) (resi 63   and name HN  )  5.00  5.00  1.00

! residue 36   Lys , intraresidue NOEs
assi (resi 36   and name HN  ) (resi 36   and name HA  )  5.00  5.00  1.00
assi (resi 36   and name HN  ) (resi 36   and name HB1 )  5.00  5.00  1.00
assi (resi 36   and name HN  ) (resi 36   and name HB2 )  5.00  5.00  1.00
assi (resi 36   and name HN  ) (resi 36   and name HG# )  4.00  4.00  2.00
assi (resi 36   and name HN  ) (resi 36   and name HD# )  5.00  5.00  2.00
assi (resi 36   and name HN  ) (resi 36   and name HE# )  5.00  5.00  2.00
assi (resi 36   and name HA  ) (resi 36   and name HB1 )  5.00  5.00  1.00
assi (resi 36   and name HA  ) (resi 36   and name HB2 )  5.00  5.00  1.00
assi (resi 36   and name HA  ) (resi 36   and name HG# )  5.00  5.00  2.00
assi (resi 36   and name HA  ) (resi 36   and name HD# )  5.00  5.00  2.00
assi (resi 36   and name HA  ) (resi 36   and name HE# )  5.00  5.00  2.00
assi (resi 36   and name HB1 ) (resi 36   and name HG# )  3.00  3.00  1.30
assi (resi 36   and name HB1 ) (resi 36   and name HD# )  3.00  3.00  1.30
assi (resi 36   and name HB1 ) (resi 36   and name HE# )  5.00  5.00  2.00
assi (resi 36   and name HB2 ) (resi 36   and name HG# )  4.00  4.00  2.00
assi (resi 36   and name HB2 ) (resi 36   and name HD# )  3.00  3.00  1.30
assi (resi 36   and name HB2 ) (resi 36   and name HE# )  5.00  5.00  2.00
assi (resi 36   and name HG# ) (resi 36   and name HE# )  5.00  5.00  3.00
assi (resi 36   and name HD# ) (resi 36   and name HE# )  5.00  5.00  3.00

! residue 36   Lys , NOEs forward in sequence
assi (resi 36   and name HB2 ) (resi 37   and name HN  )  5.00  5.00  1.00
assi (resi 36   and name HA  ) (resi 61   and name HN  )  5.00  5.00  1.00
assi (resi 36   and name HN  ) (resi 62   and name HN  )  4.00  4.00  1.00
assi (resi 36   and name HA  ) (resi 62   and name HA  )  4.00  4.00  1.00
assi (resi 36   and name HA  ) (resi 62   and name HD# )  5.00  5.00  3.00

! residue 37   Leu , intraresidue NOEs
assi (resi 37   and name HN  ) (resi 37   and name HA  )  5.00  5.00  1.00
assi (resi 37   and name HN  ) (resi 37   and name HB1 )  5.00  5.00  1.00
assi (resi 37   and name HN  ) (resi 37   and name HB2 )  5.00  5.00  1.00
assi (resi 37   and name HN  ) (resi 37   and name HG  )  5.00  5.00  1.00
assi (resi 37   and name HN  ) (resi 37   and name HD# )  5.00  5.00  3.40
assi (resi 37   and name HA  ) (resi 37   and name HB1 )  5.00  5.00  1.00
assi (resi 37   and name HA  ) (resi 37   and name HB2 )  5.00  5.00  1.00
assi (resi 37   and name HA  ) (resi 37   and name HG  )  5.00  5.00  1.00
assi (resi 37   and name HA  ) (resi 37   and name HD# )  5.00  5.00  3.40
assi (resi 37   and name HB1 ) (resi 37   and name HD# )  5.00  5.00  3.40
assi (resi 37   and name HB2 ) (resi 37   and name HD# )  5.00  5.00  3.40
assi (resi 37   and name HG  ) (resi 37   and name HD# )  5.00  5.00  3.40

! residue 37   Leu , NOEs forward in sequence
assi (resi 37   and name HN  ) (resi 38   and name HN  )  5.00  5.00  1.00
assi (resi 37   and name HA  ) (resi 38   and name HN  )  5.00  5.00  1.00
assi (resi 37   and name HB1 ) (resi 38   and name HN  )  4.00  4.00  1.00
assi (resi 37   and name HB2 ) (resi 38   and name HN  )  4.00  4.00  1.00
assi (resi 37   and name HB1 ) (resi 40   and name HN  )  4.00  4.00  1.00
assi (resi 37   and name HN  ) (resi 41   and name HB1 )  5.00  5.00  2.00
assi (resi 37   and name HB1 ) (resi 41   and name HB2 )  5.00  5.00  1.00
assi (resi 37   and name HB1 ) (resi 57   and name HB  )  3.00  3.00  1.50
assi (resi 37   and name HB2 ) (resi 57   and name HB  )  3.00  3.00  1.50
assi (resi 37   and name HN  ) (resi 60   and name HA  )  5.00  5.00  1.00
assi (resi 37   and name HB1 ) (resi 60   and name HA  )  5.00  5.00  1.00
assi (resi 37   and name HB2 ) (resi 60   and name HA  )  5.00  5.00  1.00
assi (resi 37   and name HG  ) (resi 60   and name HN  )  5.00  5.00  1.00
assi (resi 37   and name HG  ) (resi 60   and name HA  )  5.00  5.00  1.50
assi (resi 37   and name HN  ) (resi 61   and name HN  )  5.00  5.00  1.00
assi (resi 37   and name HN  ) (resi 62   and name HA  )  5.00  5.00  1.00
assi (resi 37   and name HN  ) (resi 62   and name HD# )  5.00  5.00  3.00
assi (resi 37   and name HN  ) (resi 63   and name HN  )  5.00  5.00  1.00

! residue 38   Ser , intraresidue NOEs
assi (resi 38   and name HN  ) (resi 38   and name HA  )  5.00  5.00  1.00
assi (resi 38   and name HN  ) (resi 38   and name HB1 )  5.00  5.00  1.00
assi (resi 38   and name HN  ) (resi 38   and name HB2 )  5.00  5.00  1.00
assi (resi 38   and name HA  ) (resi 38   and name HB1 )  5.00  5.00  1.00
assi (resi 38   and name HA  ) (resi 38   and name HB2 )  5.00  5.00  1.00

! residue 38   Ser , NOEs forward in sequence
assi (resi 38   and name HA  ) (resi 39   and name HN  )  5.00  5.00  1.00
assi (resi 38   and name HN  ) (resi 40   and name HN  )  5.00  5.00  1.00
assi (resi 38   and name HN  ) (resi 41   and name HN  )  5.00  5.00  1.00
assi (resi 38   and name HN  ) (resi 41   and name HB1 )  5.00  5.00  2.00
assi (resi 38   and name HN  ) (resi 41   and name HB2 )  5.00  5.00  1.00
assi (resi 38   and name HN  ) (resi 60   and name HA  )  5.00  5.00  1.00
assi (resi 38   and name HA  ) (resi 60   and name HN  )  5.00  5.00  1.00
assi (resi 38   and name HA  ) (resi 60   and name HA  )  5.00  5.00  1.00

! residue 39   Glu , intraresidue NOEs
assi (resi 39   and name HN  ) (resi 39   and name HA  )  5.00  5.00  1.00
assi (resi 39   and name HN  ) (resi 39   and name HB1 )  5.00  5.00  1.00
assi (resi 39   and name HN  ) (resi 39   and name HB2 )  5.00  5.00  1.00
assi (resi 39   and name HN  ) (resi 39   and name HG1 )  5.00  5.00  1.00
assi (resi 39   and name HN  ) (resi 39   and name HG2 )  5.00  5.00  1.00
assi (resi 39   and name HA  ) (resi 39   and name HB1 )  5.00  5.00  1.00
assi (resi 39   and name HA  ) (resi 39   and name HB2 )  5.00  5.00  1.00
assi (resi 39   and name HA  ) (resi 39   and name HG1 )  5.00  5.00  1.00
assi (resi 39   and name HA  ) (resi 39   and name HG2 )  5.00  5.00  1.00

! residue 39   Glu , NOEs forward in sequence
assi (resi 39   and name HN  ) (resi 40   and name HN  )  5.00  5.00  1.00
assi (resi 39   and name HA  ) (resi 40   and name HN  )  3.00  3.00  0.30
assi (resi 39   and name HA  ) (resi 41   and name HN  )  5.00  5.00  1.00
assi (resi 39   and name HA  ) (resi 58   and name HA  )  5.00  5.00  1.00
assi (resi 39   and name HA  ) (resi 59   and name HB2 )  5.00  5.00  1.00

! residue 40   Gly , intraresidue NOEs
assi (resi 40   and name HN  ) (resi 40   and name HA1 )  4.00  4.00  1.00
assi (resi 40   and name HN  ) (resi 40   and name HA2 )  4.00  4.00  1.00

! residue 40   Gly , NOEs forward in sequence
assi (resi 40   and name HN  ) (resi 41   and name HN  )  5.00  5.00  1.00
assi (resi 40   and name HN  ) (resi 41   and name HB1 )  5.00  5.00  1.00
assi (resi 40   and name HN  ) (resi 41   and name HB2 )  5.00  5.00  1.00
assi (resi 40   and name HA1 ) (resi 41   and name HN  )  5.00  5.00  1.00
assi (resi 40   and name HA2 ) (resi 41   and name HN  )  4.00  4.00  1.00
assi (resi 40   and name HA1 ) (resi 56   and name HB# )  5.00  5.00  2.00
assi (resi 40   and name HA1 ) (resi 57   and name HN  )  5.00  5.00  1.00
assi (resi 40   and name HA2 ) (resi 57   and name HN  )  5.00  5.00  1.00
assi (resi 40   and name HN  ) (resi 58   and name HA  )  4.00  4.00  1.00
assi (resi 40   and name HN  ) (resi 59   and name HN  )  5.00  5.00  1.00
assi (resi 40   and name HN  ) (resi 59   and name HB1 )  4.00  4.00  1.00
assi (resi 40   and name HN  ) (resi 59   and name HB2 )  4.00  4.00  1.00

! residue 41   Asp , intraresidue NOEs
assi (resi 41   and name HN  ) (resi 41   and name HA  )  4.00  4.00  1.00
assi (resi 41   and name HN  ) (resi 41   and name HB1 )  4.00  4.00  1.00
assi (resi 41   and name HN  ) (resi 41   and name HB2 )  5.00  5.00  1.00
assi (resi 41   and name HA  ) (resi 41   and name HB1 )  4.00  4.00  1.00
assi (resi 41   and name HA  ) (resi 41   and name HB2 )  5.00  5.00  1.00

! residue 41   Asp , NOEs forward in sequence
assi (resi 41   and name HA  ) (resi 42   and name HN  )  4.00  4.00  1.00
assi (resi 41   and name HB1 ) (resi 42   and name HN  )  5.00  5.00  1.00
assi (resi 41   and name HB2 ) (resi 42   and name HN  )  5.00  5.00  1.00
assi (resi 41   and name HN  ) (resi 56   and name HB# )  5.00  5.00  2.00
assi (resi 41   and name HN  ) (resi 57   and name HN  )  5.00  5.00  1.00
assi (resi 41   and name HN  ) (resi 57   and name HB  )  5.00  5.00  1.00
assi (resi 41   and name HB1 ) (resi 57   and name HB  )  3.00  3.00  0.30
assi (resi 41   and name HB2 ) (resi 57   and name HN  )  5.00  5.00  1.00
assi (resi 41   and name HB2 ) (resi 57   and name HB  )  5.00  5.00  1.00

! residue 42   Leu , intraresidue NOEs
assi (resi 42   and name HN  ) (resi 42   and name HA  )  5.00  5.00  1.00
assi (resi 42   and name HN  ) (resi 42   and name HG  )  4.00  4.00  1.00
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 HD# )  5.00  5.00  3.40
assi (resi 42   and name HA  ) (resi 42   and name HG  )  4.00  4.00  1.00
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 HD# )  5.00  5.00  3.40
assi (resi 42   and name HG  ) (resi 42   and name HD# )  4.00  4.00  3.40
assi (resi 42   and name HB# ) (resi 42   and name HD# )  4.00  4.00  4.40

! residue 42   Leu , NOEs forward in sequence
assi (resi 42   and name HN  ) (resi 43   and name HN  )  5.00  5.00  1.00
assi (resi 42   and name HA  ) (resi 43   and name HN  )  4.00  4.00  1.00
assi (resi 42   and name HA  ) (resi 56   and name HA  )  5.00  5.00  1.00
assi (resi 42   and name HA  ) (resi 57   and name HN  )  4.00  4.00  1.00
assi (resi 42   and name HG  ) (resi 57   and name HB  )  5.00  5.00  2.00

! residue 43   Leu , intraresidue NOEs
assi (resi 43   and name HN  ) (resi 43   and name HA  )  5.00  5.00  1.00
assi (resi 43   and name HN  ) (resi 43   and name HB1 )  5.00  5.00  1.00
assi (resi 43   and name HN  ) (resi 43   and name HB2 )  4.00  4.00  1.00
assi (resi 43   and name HN  ) (resi 43   and name HG  )  5.00  5.00  1.00
assi (resi 43   and name HN  ) (resi 43   and name HD# )  5.00  5.00  3.40
assi (resi 43   and name HA  ) (resi 43   and name HB1 )  5.00  5.00  1.00
assi (resi 43   and name HA  ) (resi 43   and name HB2 )  5.00  5.00  1.00
assi (resi 43   and name HA  ) (resi 43   and name HG  )  5.00  5.00  1.00
assi (resi 43   and name HA  ) (resi 43   and name HD# )  5.00  5.00  3.40
assi (resi 43   and name HB1 ) (resi 43   and name HG  )  3.00  3.00  0.30
assi (resi 43   and name HB1 ) (resi 43   and name HD# )  5.00  5.00  3.40
assi (resi 43   and name HB2 ) (resi 43   and name HG  )  4.00  4.00  1.00
assi (resi 43   and name HB2 ) (resi 43   and name HD# )  4.00  4.00  3.40
assi (resi 43   and name HG  ) (resi 43   and name HD# )  5.00  5.00  3.40

! residue 43   Leu , NOEs forward in sequence
assi (resi 43   and name HN  ) (resi 44   and name HN  )  4.00  4.00  1.00
assi (resi 43   and name HA  ) (resi 44   and name HN  )  5.00  5.00  1.00
assi (resi 43   and name HN  ) (resi 55   and name HN  )  4.00  4.00  1.00
assi (resi 43   and name HA  ) (resi 55   and name HB1 )  5.00  5.00  1.00
assi (resi 43   and name HA  ) (resi 55   and name HB2 )  5.00  5.00  1.00
assi (resi 43   and name HB1 ) (resi 55   and name HN  )  5.00  5.00  1.00
assi (resi 43   and name HB2 ) (resi 55   and name HN  )  5.00  5.00  1.00
assi (resi 43   and name HA  ) (resi 56   and name HA  )  5.00  5.00  1.00
assi (resi 43   and name HD# ) (resi 56   and name HB# )  5.00  5.00  4.40

! residue 44   Ala , intraresidue NOEs
assi (resi 44   and name HN  ) (resi 44   and name HA  )  5.00  5.00  1.00
assi (resi 44   and name HN  ) (resi 44   and name HB# )  5.00  5.00  1.30
assi (resi 44   and name HA  ) (resi 44   and name HB# )  5.00  5.00  1.30

! residue 44   Ala , NOEs forward in sequence
assi (resi 44   and name HN  ) (resi 45   and name HN  )  5.00  5.00  1.00
assi (resi 44   and name HA  ) (resi 45   and name HN  )  5.00  5.00  1.00
assi (resi 44   and name HB# ) (resi 45   and name HN  )  5.00  5.00  1.30
assi (resi 44   and name HN  ) (resi 54   and name HA1 )  5.00  5.00  1.00
assi (resi 44   and name HN  ) (resi 54   and name HA2 )  4.00  4.00  1.00
assi (resi 44   and name HN  ) (resi 55   and name HN  )  5.00  5.00  1.00
assi (resi 44   and name HN  ) (resi 55   and name HB1 )  5.00  5.00  1.00
assi (resi 44   and name HN  ) (resi 55   and name HB2 )  5.00  5.00  1.00
assi (resi 44   and name HB# ) (resi 55   and name HN  )  5.00  5.00  1.30
assi (resi 44   and name HB# ) (resi 55   and name HB1 )  5.00  5.00  1.30
assi (resi 44   and name HB# ) (resi 55   and name HB2 )  5.00  5.00  1.30
assi (resi 44   and name HB# ) (resi 81   and name HD1#)  2.50  2.50  0.90
assi (resi 44   and name HB# ) (resi 81   and name HD2#)  3.00  3.00  0.90

! residue 45   Glu , intraresidue NOEs
assi (resi 45   and name HN  ) (resi 45   and name HA  )  5.00  5.00  1.00
assi (resi 45   and name HN  ) (resi 45   and name HB1 )  5.00  5.00  1.00
assi (resi 45   and name HN  ) (resi 45   and name HB2 )  5.00  5.00  1.00
assi (resi 45   and name HN  ) (resi 45   and name HG# )  5.00  5.00  2.00
assi (resi 45   and name HA  ) (resi 45   and name HB1 )  5.00  5.00  1.00
assi (resi 45   and name HA  ) (resi 45   and name HB2 )  5.00  5.00  1.00
assi (resi 45   and name HA  ) (resi 45   and name HG# )  5.00  5.00  2.00
assi (resi 45   and name HB1 ) (resi 45   and name HG# )  3.00  3.00  1.30
assi (resi 45   and name HB2 ) (resi 45   and name HG# )  3.00  3.00  1.30

! residue 45   Glu , NOEs forward in sequence
assi (resi 45   and name HA  ) (resi 53   and name HN  )  5.00  5.00  1.00
assi (resi 45   and name HA  ) (resi 54   and name HA1 )  5.00  5.00  1.00
assi (resi 45   and name HA  ) (resi 54   and name HA2 )  5.00  5.00  1.00
assi (resi 45   and name HN  ) (resi 55   and name HN  )  5.00  5.00  1.00
assi (resi 45   and name HA  ) (resi 55   and name HN  )  5.00  5.00  1.00

! residue 46   Ile , intraresidue NOEs
assi (resi 46   and name HN  ) (resi 46   and name HA  )  5.00  5.00  1.00
assi (resi 46   and name HN  ) (resi 46   and name HB  )  4.00  4.00  1.00
assi (resi 46   and name HN  ) (resi 46   and name HG2#)  5.00  5.00  1.30
assi (resi 46   and name HN  ) (resi 46   and name HD1#)  5.00  5.00  1.30
assi (resi 46   and name HA  ) (resi 46   and name HB  )  5.00  5.00  1.00
assi (resi 46   and name HA  ) (resi 46   and name HG2#)  5.00  5.00  1.30
assi (resi 46   and name HA  ) (resi 46   and name HD1#)  5.00  5.00  1.30
assi (resi 46   and name HB  ) (resi 46   and name HG2#)  4.00  4.00  1.30
assi (resi 46   and name HB  ) (resi 46   and name HD1#)  5.00  5.00  1.30
assi (resi 46   and name HG2#) (resi 46   and name HD1#)  4.00  4.00  1.60

! residue 46   Ile , NOEs forward in sequence
assi (resi 46   and name HN  ) (resi 47   and name HA  )  5.00  5.00  1.00
assi (resi 46   and name HA  ) (resi 47   and name HN  )  4.00  4.00  1.00
assi (resi 46   and name HN  ) (resi 53   and name HN  )  5.00  5.00  1.00
assi (resi 46   and name HG2#) (resi 53   and name HD1#)  5.00  5.00  1.60
assi (resi 46   and name HG2#) (resi 53   and name HG1#)  5.00  5.00  2.30
assi (resi 46   and name HN  ) (resi 54   and name HA1 )  5.00  5.00  1.00

! residue 47   Glu , intraresidue NOEs
assi (resi 47   and name HN  ) (resi 47   and name HA  )  5.00  5.00  1.00
assi (resi 47   and name HN  ) (resi 47   and name HB1 )  5.00  5.00  1.00
assi (resi 47   and name HN  ) (resi 47   and name HB2 )  5.00  5.00  1.00
assi (resi 47   and name HN  ) (resi 47   and name HG1 )  5.00  5.00  1.00
assi (resi 47   and name HN  ) (resi 47   and name HG2 )  5.00  5.00  1.00
assi (resi 47   and name HA  ) (resi 47   and name HB1 )  5.00  5.00  1.00
assi (resi 47   and name HA  ) (resi 47   and name HB2 )  4.00  4.00  1.00
assi (resi 47   and name HA  ) (resi 47   and name HG1 )  4.00  4.00  1.00
assi (resi 47   and name HA  ) (resi 47   and name HG2 )  5.00  5.00  1.00

! residue 47   Glu , NOEs forward in sequence
assi (resi 47   and name HB1 ) (resi 48   and name HN  )  5.00  5.00  1.00
assi (resi 47   and name HA  ) (resi 51   and name HN  )  5.00  5.00  1.00
assi (resi 47   and name HB1 ) (resi 51   and name HN  )  5.00  5.00  1.00
assi (resi 47   and name HB2 ) (resi 51   and name HN  )  5.00  5.00  1.00
assi (resi 47   and name HG# ) (resi 51   and name HN  )  5.00  5.00  2.00
assi (resi 47   and name HN  ) (resi 52   and name HA  )  4.00  4.00  1.00
assi (resi 47   and name HA  ) (resi 52   and name HN  )  5.00  5.00  1.00
assi (resi 47   and name HA  ) (resi 52   and name HA  )  5.00  5.00  1.00
assi (resi 47   and name HA  ) (resi 52   and name HG2#)  5.00  5.00  1.30
assi (resi 47   and name HA  ) (resi 53   and name HN  )  5.00  5.00  1.00

! residue 48   Thr , intraresidue NOEs
assi (resi 48   and name HN  ) (resi 48   and name HA  )  5.00  5.00  1.00
assi (resi 48   and name HN  ) (resi 48   and name HB  )  5.00  5.00  1.00
assi (resi 48   and name HN  ) (resi 48   and name HG2#)  5.00  5.00  1.30
assi (resi 48   and name HA  ) (resi 48   and name HB  )  5.00  5.00  1.00
assi (resi 48   and name HA  ) (resi 48   and name HG2#)  5.00  5.00  1.30
assi (resi 48   and name HB  ) (resi 48   and name HG2#)  5.00  5.00  1.30

! residue 48   Thr , NOEs forward in sequence
assi (resi 48   and name HB  ) (resi 49   and name HN  )  5.00  5.00  1.00
assi (resi 48   and name HG2#) (resi 49   and name HN  )  5.00  5.00  1.30
assi (resi 48   and name HN  ) (resi 50   and name HN  )  5.00  5.00  1.00
assi (resi 48   and name HA  ) (resi 50   and name HN  )  4.00  4.00  1.00
assi (resi 48   and name HN  ) (resi 51   and name HN  )  3.00  3.00  0.30
assi (resi 48   and name HA  ) (resi 51   and name HN  )  5.00  5.00  1.00
assi (resi 48   and name HG2#) (resi 51   and name HN  )  5.00  5.00  1.30
assi (resi 48   and name HN  ) (resi 52   and name HA  )  5.00  5.00  1.00

! residue 49   Asp , intraresidue NOEs
assi (resi 49   and name HN  ) (resi 49   and name HA  )  5.00  5.00  1.00

! residue 49   Asp , NOEs forward in sequence
assi (resi 49   and name HN  ) (resi 50   and name HN  )  5.00  5.00  1.00
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  )  5.00  5.00  2.00
assi (resi 49   and name HN  ) (resi 51   and name HN  )  2.50  2.50  0.30
assi (resi 49   and name HA  ) (resi 51   and name HN  )  5.00  5.00  1.00
assi (resi 49   and name HB# ) (resi 51   and name HN  )  5.00  5.00  2.00

! residue 50   Lys , intraresidue NOEs
assi (resi 50   and name HN  ) (resi 50   and name HA  )  5.00  5.00  1.00
assi (resi 50   and name HN  ) (resi 50   and name HB1 )  5.00  5.00  1.00
assi (resi 50   and name HN  ) (resi 50   and name HB2 )  5.00  5.00  1.00
assi (resi 50   and name HN  ) (resi 50   and name HG# )  5.00  5.00  2.00
assi (resi 50   and name HN  ) (resi 50   and name HD# )  5.00  5.00  2.00
assi (resi 50   and name HN  ) (resi 50   and name HE# )  5.00  5.00  2.00
assi (resi 50   and name HA  ) (resi 50   and name HB1 )  5.00  5.00  1.00
assi (resi 50   and name HA  ) (resi 50   and name HB2 )  4.00  4.00  1.00
assi (resi 50   and name HA  ) (resi 50   and name HG# )  5.00  5.00  2.00
assi (resi 50   and name HA  ) (resi 50   and name HD# )  5.00  5.00  2.00
assi (resi 50   and name HA  ) (resi 50   and name HE# )  5.00  5.00  2.00
assi (resi 50   and name HB1 ) (resi 50   and name HG# )  3.00  3.00  1.30
assi (resi 50   and name HB1 ) (resi 50   and name HE# )  5.00  5.00  2.00
assi (resi 50   and name HB2 ) (resi 50   and name HG# )  4.00  4.00  2.00
assi (resi 50   and name HB2 ) (resi 50   and name HE# )  5.00  5.00  2.00
assi (resi 50   and name HG# ) (resi 50   and name HD# )  3.00  3.00  2.30
assi (resi 50   and name HG# ) (resi 50   and name HE# )  5.00  5.00  3.00
assi (resi 50   and name HD# ) (resi 50   and name HE# )  5.00  5.00  3.00

! residue 50   Lys , NOEs forward in sequence
assi (resi 50   and name HN  ) (resi 51   and name HN  )  5.00  5.00  1.00
assi (resi 50   and name HA  ) (resi 51   and name HN  )  4.00  4.00  1.00
assi (resi 50   and name HB1 ) (resi 51   and name HN  )  5.00  5.00  1.00

! residue 51   Ala , intraresidue NOEs
assi (resi 51   and name HN  ) (resi 51   and name HA  )  5.00  5.00  1.00
assi (resi 51   and name HN  ) (resi 51   and name HB# )  5.00  5.00  1.30
assi (resi 51   and name HA  ) (resi 51   and name HB# )  4.00  4.00  1.30

! residue 51   Ala , NOEs forward in sequence
assi (resi 51   and name HA  ) (resi 52   and name HN  )  4.00  4.00  1.00
assi (resi 51   and name HB# ) (resi 52   and name HN  )  5.00  5.00  1.30

! residue 52   Thr , intraresidue NOEs
assi (resi 52   and name HN  ) (resi 52   and name HA  )  5.00  5.00  1.00
assi (resi 52   and name HN  ) (resi 52   and name HB  )  5.00  5.00  1.00
assi (resi 52   and name HN  ) (resi 52   and name HG2#)  5.00  5.00  1.30
assi (resi 52   and name HA  ) (resi 52   and name HB  )  4.00  4.00  1.00
assi (resi 52   and name HA  ) (resi 52   and name HG2#)  5.00  5.00  1.30
assi (resi 52   and name HB  ) (resi 52   and name HG2#)  5.00  5.00  1.30

! residue 52   Thr , NOEs forward in sequence
assi (resi 52   and name HA  ) (resi 53   and name HN  )  5.00  5.00  1.00
assi (resi 52   and name HB  ) (resi 53   and name HN  )  5.00  5.00  1.00

! residue 53   Ile , intraresidue NOEs
assi (resi 53   and name HN  ) (resi 53   and name HA  )  5.00  5.00  1.00
assi (resi 53   and name HN  ) (resi 53   and name HB  )  5.00  5.00  1.00
assi (resi 53   and name HN  ) (resi 53   and name HG2#)  5.00  5.00  1.30
assi (resi 53   and name HN  ) (resi 53   and name HD1#)  5.00  5.00  1.30
assi (resi 53   and name HN  ) (resi 53   and name HG1#)  5.00  5.00  2.00
assi (resi 53   and name HA  ) (resi 53   and name HB  )  5.00  5.00  1.00
assi (resi 53   and name HA  ) (resi 53   and name HG2#)  5.00  5.00  1.30
assi (resi 53   and name HA  ) (resi 53   and name HD1#)  5.00  5.00  1.30
assi (resi 53   and name HA  ) (resi 53   and name HG1#)  4.00  4.00  2.00
assi (resi 53   and name HB  ) (resi 53   and name HG2#)  4.00  4.00  1.30
assi (resi 53   and name HB  ) (resi 53   and name HD1#)  5.00  5.00  1.30
assi (resi 53   and name HB  ) (resi 53   and name HG1#)  3.00  3.00  1.30
assi (resi 53   and name HD1#) (resi 53   and name HG1#)  3.00  3.00  1.60

! residue 53   Ile , NOEs forward in sequence
assi (resi 53   and name HN  ) (resi 54   and name HN  )  5.00  5.00  1.00
assi (resi 53   and name HA  ) (resi 54   and name HN  )  4.00  4.00  1.00
assi (resi 53   and name HB  ) (resi 54   and name HN  )  5.00  5.00  1.00

! residue 54   Gly , intraresidue NOEs
assi (resi 54   and name HN  ) (resi 54   and name HA1 )  4.00  4.00  1.00
assi (resi 54   and name HN  ) (resi 54   and name HA2 )  4.00  4.00  1.00

! residue 54   Gly , NOEs forward in sequence
assi (resi 54   and name HN  ) (resi 55   and name HN  )  5.00  5.00  1.00
assi (resi 54   and name HA1 ) (resi 55   and name HN  )  4.00  4.00  1.00
assi (resi 54   and name HA2 ) (resi 55   and name HN  )  5.00  5.00  1.00

! residue 55   Phe , intraresidue NOEs
assi (resi 55   and name HN  ) (resi 55   and name HA  )  5.00  5.00  1.00
assi (resi 55   and name HN  ) (resi 55   and name HB1 )  5.00  5.00  1.00
assi (resi 55   and name HN  ) (resi 55   and name HB2 )  5.00  5.00  1.00
assi (resi 55   and name HA  ) (resi 55   and name HB1 )  4.00  4.00  1.00
assi (resi 55   and name HA  ) (resi 55   and name HB2 )  5.00  5.00  1.00
assi (resi 55   and name HA  ) (resi 55   and name HD# )  5.00  5.00  3.00
assi (resi 55   and name HB1 ) (resi 55   and name HD# )  5.00  5.00  3.00
assi (resi 55   and name HB2 ) (resi 55   and name HD# )  5.00  5.00  3.00

! residue 55   Phe , NOEs forward in sequence
assi (resi 55   and name HA  ) (resi 56   and name HN  )  4.00  4.00  1.00
assi (resi 55   and name HE2 ) (resi 81   and name HG  )  5.00  5.00  1.00
assi (resi 55   and name HE2 ) (resi 81   and name HD1#)  5.00  5.00  1.30
assi (resi 55   and name HE2 ) (resi 81   and name HD2#)  5.00  5.00  1.30
assi (resi 55   and name HD# ) (resi 81   and name HG  )  5.00  5.00  3.00
assi (resi 55   and name HD# ) (resi 81   and name HD1#)  5.00  5.00  3.30
assi (resi 55   and name HD# ) (resi 81   and name HD2#)  5.00  5.00  3.30

! residue 56   Glu , intraresidue NOEs
assi (resi 56   and name HN  ) (resi 56   and name HA  )  5.00  5.00  1.00
assi (resi 56   and name HN  ) (resi 56   and name HG1 )  5.00  5.00  1.00
assi (resi 56   and name HN  ) (resi 56   and name HG2 )  5.00  5.00  1.00
assi (resi 56   and name HN  ) (resi 56   and name HB# )  4.00  4.00  2.00
assi (resi 56   and name HA  ) (resi 56   and name HG1 )  5.00  5.00  1.00
assi (resi 56   and name HA  ) (resi 56   and name HG2 )  5.00  5.00  1.00
assi (resi 56   and name HA  ) (resi 56   and name HB# )  5.00  5.00  2.00
assi (resi 56   and name HG1 ) (resi 56   and name HB# )  3.00  3.00  1.30
assi (resi 56   and name HG2 ) (resi 56   and name HB# )  3.00  3.00  1.30

! residue 56   Glu , NOEs forward in sequence
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   Val , 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  )  4.00  4.00  1.00
assi (resi 57   and name HN  ) (resi 57   and name HG# )  5.00  5.00  3.40
assi (resi 57   and name HA  ) (resi 57   and name HB  )  4.00  4.00  1.00
assi (resi 57   and name HA  ) (resi 57   and name HG# )  5.00  5.00  3.40
assi (resi 57   and name HB  ) (resi 57   and name HG# )  4.00  4.00  3.40

! residue 57   Val , NOEs forward in sequence
assi (resi 57   and name HN  ) (resi 58   and name HN  )  5.00  5.00  1.00
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  1.00
assi (resi 57   and name HA  ) (resi 59   and name HN  )  5.00  5.00  1.00
assi (resi 57   and name HB  ) (resi 59   and name HN  )  4.00  4.00  1.00
assi (resi 57   and name HB  ) (resi 60   and name HB2 )  3.00  3.00  1.00

! residue 58   Gln , intraresidue NOEs
assi (resi 58   and name HN  ) (resi 58   and name HA  )  5.00  5.00  1.00
assi (resi 58   and name HN  ) (resi 58   and name HB1 )  5.00  5.00  1.00
assi (resi 58   and name HN  ) (resi 58   and name HB2 )  5.00  5.00  1.00
assi (resi 58   and name HA  ) (resi 58   and name HB1 )  5.00  5.00  1.00
assi (resi 58   and name HA  ) (resi 58   and name HB2 )  5.00  5.00  1.00

! residue 58   Gln , NOEs forward in sequence
assi (resi 58   and name HN  ) (resi 59   and name HN  )  5.00  5.00  1.00
assi (resi 58   and name HB1 ) (resi 59   and name HN  )  4.00  4.00  1.00
assi (resi 58   and name HB2 ) (resi 59   and name HN  )  4.00  4.00  1.00

! residue 59   Glu , intraresidue NOEs
assi (resi 59   and name HN  ) (resi 59   and name HA  )  5.00  5.00  1.00
assi (resi 59   and name HN  ) (resi 59   and name HB1 )  5.00  5.00  1.00
assi (resi 59   and name HN  ) (resi 59   and name HB2 )  4.00  4.00  1.00
assi (resi 59   and name HN  ) (resi 59   and name HG# )  5.00  5.00  2.00
assi (resi 59   and name HA  ) (resi 59   and name HB1 )  5.00  5.00  1.00
assi (resi 59   and name HA  ) (resi 59   and name HB2 )  5.00  5.00  1.00
assi (resi 59   and name HA  ) (resi 59   and name HG# )  5.00  5.00  2.00
assi (resi 59   and name HB1 ) (resi 59   and name HG# )  4.00  4.00  2.00
assi (resi 59   and name HB2 ) (resi 59   and name HG# )  3.00  3.00  1.30

! residue 59   Glu , NOEs forward in sequence
assi (resi 59   and name HN  ) (resi 60   and name HN  )  5.00  5.00  1.00
assi (resi 59   and name HA  ) (resi 60   and name HN  )  4.00  4.00  1.00
assi (resi 59   and name HB1 ) (resi 60   and name HN  )  5.00  5.00  1.00
assi (resi 59   and name HB2 ) (resi 60   and name HN  )  4.00  4.00  1.00

! residue 60   Glu , intraresidue NOEs
assi (resi 60   and name HN  ) (resi 60   and name HA  )  5.00  5.00  1.00
assi (resi 60   and name HN  ) (resi 60   and name HB1 )  4.00  4.00  1.00
assi (resi 60   and name HN  ) (resi 60   and name HB2 )  5.00  5.00  1.00
assi (resi 60   and name HN  ) (resi 60   and name HG# )  5.00  5.00  2.00
assi (resi 60   and name HA  ) (resi 60   and name HB1 )  4.00  4.00  1.00
assi (resi 60   and name HA  ) (resi 60   and name HB2 )  5.00  5.00  1.00
assi (resi 60   and name HA  ) (resi 60   and name HG# )  5.00  5.00  2.00

! residue 60   Glu , NOEs forward in sequence
assi (resi 60   and name HA  ) (resi 61   and name HN  )  5.00  5.00  1.00
assi (resi 60   and name HB1 ) (resi 61   and name HN  )  5.00  5.00  1.00

! residue 61   Gly , intraresidue NOEs
assi (resi 61   and name HN  ) (resi 61   and name HA1 )  5.00  5.00  1.00
assi (resi 61   and name HN  ) (resi 61   and name HA2 )  5.00  5.00  1.00

! residue 61   Gly , NOEs forward in sequence
assi (resi 61   and name HN  ) (resi 62   and name HN  )  5.00  5.00  1.00
assi (resi 61   and name HA1 ) (resi 62   and name HN  )  5.00  5.00  1.00
assi (resi 61   and name HA2 ) (resi 62   and name HN  )  5.00  5.00  1.00
assi (resi 61   and name HN  ) (resi 85   and name HG1#)  5.00  5.00  1.30
assi (resi 61   and name HN  ) (resi 85   and name HG2#)  5.00  5.00  1.30
assi (resi 61   and name HA2 ) (resi 85   and name HN  )  5.00  5.00  1.00
assi (resi 61   and name HN  ) (resi 86   and name HN  )  3.00  3.00  0.30
assi (resi 61   and name HA1 ) (resi 86   and name HA  )  5.00  5.00  1.00
assi (resi 61   and name HA2 ) (resi 87   and name HN  )  5.00  5.00  1.00

! residue 62   Tyr , intraresidue NOEs
assi (resi 62   and name HN  ) (resi 62   and name HA  )  5.00  5.00  1.00
assi (resi 62   and name HN  ) (resi 62   and name HB1 )  5.00  5.00  1.00
assi (resi 62   and name HN  ) (resi 62   and name HB2 )  4.00  4.00  1.00
assi (resi 62   and name HN  ) (resi 62   and name HD# )  4.00  4.00  3.00
assi (resi 62   and name HA  ) (resi 62   and name HB1 )  5.00  5.00  1.00
assi (resi 62   and name HA  ) (resi 62   and name HB2 )  5.00  5.00  1.00
assi (resi 62   and name HA  ) (resi 62   and name HE# )  5.00  5.00  3.00
assi (resi 62   and name HB1 ) (resi 62   and name HD# )  5.00  5.00  3.00
assi (resi 62   and name HB1 ) (resi 62   and name HE# )  5.00  5.00  3.00
assi (resi 62   and name HB2 ) (resi 62   and name HD# )  5.00  5.00  3.00
assi (resi 62   and name HB2 ) (resi 62   and name HE# )  5.00  5.00  3.00

! residue 62   Tyr , NOEs forward in sequence
assi (resi 62   and name HA  ) (resi 63   and name HN  )  5.00  5.00  1.00
assi (resi 62   and name HN  ) (resi 84   and name HA  )  4.00  4.00  1.00
assi (resi 62   and name HN  ) (resi 85   and name HN  )  5.00  5.00  1.00
assi (resi 62   and name HN  ) (resi 85   and name HB  )  5.00  5.00  1.00
assi (resi 62   and name HN  ) (resi 86   and name HN  )  5.00  5.00  1.00
assi (resi 62   and name HA  ) (resi 86   and name HA  )  5.00  5.00  1.00
assi (resi 62   and name HB1 ) (resi 87   and name HN  )  5.00  5.00  1.00

! residue 63   Leu , intraresidue NOEs
assi (resi 63   and name HN  ) (resi 63   and name HA  )  5.00  5.00  1.00
assi (resi 63   and name HN  ) (resi 63   and name HG  )  4.00  4.00  1.00
assi (resi 63   and name HN  ) (resi 63   and name HB# )  4.00  4.00  2.00
assi (resi 63   and name HN  ) (resi 63   and name HD# )  5.00  5.00  3.40
assi (resi 63   and name HA  ) (resi 63   and name HD# )  5.00  5.00  3.40

! residue 63   Leu , NOEs forward in sequence
assi (resi 63   and name HA  ) (resi 64   and name HN  )  5.00  5.00  1.00
assi (resi 63   and name HA  ) (resi 65   and name HN  )  3.00  3.00  1.50
assi (resi 63   and name HA  ) (resi 84   and name HA  )  5.00  5.00  1.00
assi (resi 63   and name HA  ) (resi 85   and name HN  )  5.00  5.00  1.00

! residue 64   Ala , intraresidue NOEs
assi (resi 64   and name HN  ) (resi 64   and name HA  )  5.00  5.00  1.00
assi (resi 64   and name HN  ) (resi 64   and name HB# )  5.00  5.00  1.30
assi (resi 64   and name HA  ) (resi 64   and name HB# )  5.00  5.00  1.30

! residue 64   Ala , NOEs forward in sequence
assi (resi 64   and name HN  ) (resi 65   and name HN  )  5.00  5.00  1.00
assi (resi 64   and name HA  ) (resi 65   and name HN  )  4.00  4.00  1.00
assi (resi 64   and name HA  ) (resi 65   and name HA  )  5.00  5.00  1.00
assi (resi 64   and name HN  ) (resi 83   and name HN  )  5.00  5.00  1.00
assi (resi 64   and name HB# ) (resi 83   and name HN  )  5.00  5.00  1.30
assi (resi 64   and name HN  ) (resi 84   and name HN  )  5.00  5.00  1.00
assi (resi 64   and name HN  ) (resi 84   and name HA  )  5.00  5.00  1.00
assi (resi 64   and name HB# ) (resi 84   and name HN  )  5.00  5.00  1.30
assi (resi 64   and name HB# ) (resi 84   and name HA  )  5.00  5.00  1.30
assi (resi 64   and name HN  ) (resi 85   and name HN  )  5.00  5.00  1.00
assi (resi 64   and name HN  ) (resi 85   and name HB  )  5.00  5.00  1.00
assi (resi 64   and name HB# ) (resi 85   and name HN  )  5.00  5.00  1.30

! residue 65   Lys , intraresidue NOEs
assi (resi 65   and name HN  ) (resi 65   and name HA  )  5.00  5.00  1.00
assi (resi 65   and name HN  ) (resi 65   and name HB1 )  5.00  5.00  1.00
assi (resi 65   and name HN  ) (resi 65   and name HB2 )  4.00  4.00  1.00
assi (resi 65   and name HN  ) (resi 65   and name HG# )  5.00  5.00  2.00
assi (resi 65   and name HN  ) (resi 65   and name HD# )  4.00  4.00  2.00
assi (resi 65   and name HN  ) (resi 65   and name HE# )  5.00  5.00  2.00
assi (resi 65   and name HA  ) (resi 65   and name HB1 )  5.00  5.00  1.00
assi (resi 65   and name HA  ) (resi 65   and name HB2 )  5.00  5.00  1.00
assi (resi 65   and name HA  ) (resi 65   and name HG# )  5.00  5.00  2.00
assi (resi 65   and name HA  ) (resi 65   and name HD# )  5.00  5.00  2.00
assi (resi 65   and name HA  ) (resi 65   and name HE# )  5.00  5.00  2.00
assi (resi 65   and name HB1 ) (resi 65   and name HG# )  3.00  3.00  1.30
assi (resi 65   and name HB1 ) (resi 65   and name HE# )  4.00  4.00  2.00
assi (resi 65   and name HB2 ) (resi 65   and name HG# )  3.00  3.00  1.30
assi (resi 65   and name HB2 ) (resi 65   and name HD# )  2.50  2.50  1.30
assi (resi 65   and name HB2 ) (resi 65   and name HE# )  5.00  5.00  2.00
assi (resi 65   and name HG# ) (resi 65   and name HE# )  5.00  5.00  3.00
assi (resi 65   and name HD# ) (resi 65   and name HE# )  5.00  5.00  3.00

! residue 65   Lys , NOEs forward in sequence
assi (resi 65   and name HA  ) (resi 66   and name HN  )  5.00  5.00  1.00
assi (resi 65   and name HA  ) (resi 66   and name HB  )  5.00  5.00  1.00
assi (resi 65   and name HA  ) (resi 66   and name HG1#)  5.00  5.00  2.00
assi (resi 65   and name HA  ) (resi 66   and name HG2#)  5.00  5.00  1.30
assi (resi 65   and name HB1 ) (resi 66   and name HN  )  4.00  4.00  1.00
assi (resi 65   and name HN  ) (resi 67   and name HN  )  5.00  5.00  1.00
assi (resi 65   and name HN  ) (resi 83   and name HN  )  5.00  5.00  1.00
assi (resi 65   and name HN  ) (resi 83   and name HA  )  4.00  4.00  1.00
assi (resi 65   and name HN  ) (resi 83   and name HB  )  4.00  4.00  1.00
assi (resi 65   and name HN  ) (resi 84   and name HA  )  4.00  4.00  1.00

! residue 66   Ile , intraresidue NOEs
assi (resi 66   and name HN  ) (resi 66   and name HA  )  4.00  4.00  1.00
assi (resi 66   and name HN  ) (resi 66   and name HB  )  4.00  4.00  1.00
assi (resi 66   and name HN  ) (resi 66   and name HG11)  5.00  5.00  1.00
assi (resi 66   and name HN  ) (resi 66   and name HG12)  5.00  5.00  1.00
assi (resi 66   and name HN  ) (resi 66   and name HG2#)  5.00  5.00  1.30
assi (resi 66   and name HN  ) (resi 66   and name HD1#)  5.00  5.00  1.30
assi (resi 66   and name HA  ) (resi 66   and name HB  )  5.00  5.00  1.00
assi (resi 66   and name HA  ) (resi 66   and name HG11)  5.00  5.00  1.00
assi (resi 66   and name HA  ) (resi 66   and name HG12)  5.00  5.00  1.00
assi (resi 66   and name HA  ) (resi 66   and name HG2#)  5.00  5.00  1.30
assi (resi 66   and name HA  ) (resi 66   and name HD1#)  5.00  5.00  1.30
assi (resi 66   and name HB  ) (resi 66   and name HG11)  4.00  4.00  1.00
assi (resi 66   and name HB  ) (resi 66   and name HG12)  4.00  4.00  1.00
assi (resi 66   and name HB  ) (resi 66   and name HG2#)  5.00  5.00  1.30
assi (resi 66   and name HB  ) (resi 66   and name HD1#)  5.00  5.00  1.30
assi (resi 66   and name HG11) (resi 66   and name HG2#)  5.00  5.00  1.30
assi (resi 66   and name HG11) (resi 66   and name HD1#)  5.00  5.00  1.30
assi (resi 66   and name HG12) (resi 66   and name HG2#)  5.00  5.00  1.30
assi (resi 66   and name HG12) (resi 66   and name HD1#)  5.00  5.00  1.30
assi (resi 66   and name HG2#) (resi 66   and name HD1#)  5.00  5.00  1.60

! residue 66   Ile , NOEs forward in sequence
assi (resi 66   and name HN  ) (resi 67   and name HN  )  5.00  5.00  1.00
assi (resi 66   and name HA  ) (resi 67   and name HN  )  5.00  5.00  1.00
assi (resi 66   and name HA  ) (resi 68   and name HN  )  5.00  5.00  1.00
assi (resi 66   and name HG11) (resi 68   and name HN  )  5.00  5.00  1.00
assi (resi 66   and name HG12) (resi 68   and name HN  )  5.00  5.00  1.00
assi (resi 66   and name HA  ) (resi 82   and name HA  )  5.00  5.00  1.00
assi (resi 66   and name HB  ) (resi 82   and name HA  )  4.00  4.00  1.50
assi (resi 66   and name HN  ) (resi 83   and name HN  )  5.00  5.00  1.00
assi (resi 66   and name HA  ) (resi 83   and name HN  )  4.00  4.00  1.00
assi (resi 66   and name HD1#) (resi 83   and name HG2#)  5.00  5.00  1.60

! residue 67   Leu , intraresidue NOEs
assi (resi 67   and name HN  ) (resi 67   and name HA  )  5.00  5.00  1.00
assi (resi 67   and name HN  ) (resi 67   and name HB# )  5.00  5.00  2.00
assi (resi 67   and name HA  ) (resi 67   and name HB# )  5.00  5.00  2.00

! residue 67   Leu , NOEs forward in sequence
assi (resi 67   and name HN  ) (resi 68   and name HN  )  5.00  5.00  1.00
assi (resi 67   and name HA  ) (resi 68   and name HN  )  4.00  4.00  1.00
assi (resi 67   and name HB# ) (resi 68   and name HN  )  4.00  4.00  2.00
assi (resi 67   and name HN  ) (resi 81   and name HA  )  5.00  5.00  1.00
assi (resi 67   and name HN  ) (resi 82   and name HA  )  5.00  5.00  1.00
assi (resi 67   and name HB# ) (resi 82   and name HA  )  5.00  5.00  2.00
assi (resi 67   and name HD# ) (resi 82   and name HA  )  5.00  5.00  3.40

! residue 68   Val , intraresidue NOEs
assi (resi 68   and name HN  ) (resi 68   and name HA  )  5.00  5.00  1.00
assi (resi 68   and name HN  ) (resi 68   and name HB  )  4.00  4.00  1.00
assi (resi 68   and name HN  ) (resi 68   and name HG# )  5.00  5.00  3.40
assi (resi 68   and name HA  ) (resi 68   and name HB  )  5.00  5.00  1.00
assi (resi 68   and name HA  ) (resi 68   and name HG# )  5.00  5.00  3.40
assi (resi 68   and name HB  ) (resi 68   and name HG# )  5.00  5.00  3.40

! residue 68   Val , NOEs forward in sequence
assi (resi 68   and name HB  ) (resi 72   and name HN  )  5.00  5.00  1.00
assi (resi 68   and name HB  ) (resi 72   and name HB  )  4.00  4.00  1.00
assi (resi 68   and name HN  ) (resi 81   and name HA  )  5.00  5.00  1.00
assi (resi 68   and name HB  ) (resi 81   and name HA  )  5.00  5.00  1.00
assi (resi 68   and name HN  ) (resi 82   and name HA  )  4.00  4.00  1.00

! residue 69   Pro , intraresidue NOEs

! residue 69   Pro , NOEs forward in sequence
assi (resi 69   and name HA  ) (resi 70   and name HN  )  5.00  5.00  1.00
assi (resi 69   and name HB1 ) (resi 70   and name HN  )  4.00  4.00  1.00
assi (resi 69   and name HB2 ) (resi 70   and name HN  )  4.00  4.00  1.00
assi (resi 69   and name HA  ) (resi 72   and name HN  )  5.00  5.00  1.00

! residue 70   Glu , intraresidue NOEs
assi (resi 70   and name HN  ) (resi 70   and name HA  )  5.00  5.00  1.00
assi (resi 70   and name HN  ) (resi 70   and name HB1 )  5.00  5.00  1.00
assi (resi 70   and name HN  ) (resi 70   and name HB2 )  5.00  5.00  1.00
assi (resi 70   and name HN  ) (resi 70   and name HG1 )  5.00  5.00  1.00
assi (resi 70   and name HN  ) (resi 70   and name HG2 )  5.00  5.00  1.00
assi (resi 70   and name HA  ) (resi 70   and name HB1 )  4.00  4.00  1.00
assi (resi 70   and name HA  ) (resi 70   and name HB2 )  4.00  4.00  1.00
assi (resi 70   and name HA  ) (resi 70   and name HG1 )  5.00  5.00  1.00
assi (resi 70   and name HA  ) (resi 70   and name HG2 )  5.00  5.00  1.00

! residue 70   Glu , NOEs forward in sequence
assi (resi 70   and name HN  ) (resi 71   and name HN  )  5.00  5.00  1.00
assi (resi 70   and name HA  ) (resi 71   and name HN  )  4.00  4.00  1.00
assi (resi 70   and name HA  ) (resi 72   and name HN  )  4.00  4.00  1.00

! residue 71   Gly , intraresidue NOEs
assi (resi 71   and name HN  ) (resi 71   and name HA1 )  4.00  4.00  1.00
assi (resi 71   and name HN  ) (resi 71   and name HA2 )  5.00  5.00  1.00

! residue 71   Gly , NOEs forward in sequence
assi (resi 71   and name HN  ) (resi 72   and name HN  )  5.00  5.00  1.00
assi (resi 71   and name HA1 ) (resi 72   and name HN  )  5.00  5.00  1.00
assi (resi 71   and name HA2 ) (resi 72   and name HN  )  5.00  5.00  1.00

! residue 72   Thr , intraresidue NOEs
assi (resi 72   and name HN  ) (resi 72   and name HA  )  4.00  4.00  1.00
assi (resi 72   and name HN  ) (resi 72   and name HB  )  5.00  5.00  1.00
assi (resi 72   and name HN  ) (resi 72   and name HG2#)  5.00  5.00  1.30
assi (resi 72   and name HA  ) (resi 72   and name HB  )  5.00  5.00  1.00
assi (resi 72   and name HA  ) (resi 72   and name HG2#)  4.00  4.00  1.30
assi (resi 72   and name HB  ) (resi 72   and name HG2#)  5.00  5.00  1.30

! residue 72   Thr , NOEs forward in sequence
assi (resi 72   and name HN  ) (resi 73   and name HN  )  5.00  5.00  1.00
assi (resi 72   and name HA  ) (resi 73   and name HN  )  3.00  3.00  0.30

! residue 73   Arg , intraresidue NOEs
assi (resi 73   and name HN  ) (resi 73   and name HA  )  5.00  5.00  1.00
assi (resi 73   and name HN  ) (resi 73   and name HD1 )  5.00  5.00  1.00
assi (resi 73   and name HN  ) (resi 73   and name HD2 )  5.00  5.00  1.00
assi (resi 73   and name HN  ) (resi 73   and name HB# )  4.00  4.00  2.00
assi (resi 73   and name HN  ) (resi 73   and name HG# )  4.00  4.00  2.00
assi (resi 73   and name HA  ) (resi 73   and name HD1 )  5.00  5.00  1.00
assi (resi 73   and name HA  ) (resi 73   and name HD2 )  5.00  5.00  1.00
assi (resi 73   and name HA  ) (resi 73   and name HB# )  5.00  5.00  2.00
assi (resi 73   and name HA  ) (resi 73   and name HG# )  5.00  5.00  2.00
assi (resi 73   and name HD1 ) (resi 73   and name HB# )  4.00  4.00  2.00
assi (resi 73   and name HD1 ) (resi 73   and name HG# )  4.00  4.00  2.00
assi (resi 73   and name HD2 ) (resi 73   and name HB# )  4.00  4.00  2.00
assi (resi 73   and name HD2 ) (resi 73   and name HG# )  4.00  4.00  2.00

! residue 73   Arg , NOEs forward in sequence
assi (resi 73   and name HN  ) (resi 74   and name HN  )  5.00  5.00  1.00
assi (resi 73   and name HA  ) (resi 74   and name HN  )  5.00  5.00  1.00
assi (resi 73   and name HA  ) (resi 75   and name HN  )  4.00  4.00  1.00
assi (resi 73   and name HA  ) (resi 75   and name HG1#)  5.00  5.00  2.50
assi (resi 73   and name HA  ) (resi 75   and name HG2#)  5.00  5.00  2.50
assi (resi 73   and name HB# ) (resi 75   and name HN  )  5.00  5.00  2.00

! residue 74   Asp , intraresidue NOEs
assi (resi 74   and name HN  ) (resi 74   and name HA  )  4.00  4.00  1.00
assi (resi 74   and name HN  ) (resi 74   and name HB1 )  5.00  5.00  1.00
assi (resi 74   and name HN  ) (resi 74   and name HB2 )  5.00  5.00  1.00
assi (resi 74   and name HA  ) (resi 74   and name HB1 )  5.00  5.00  1.00
assi (resi 74   and name HA  ) (resi 74   and name HB2 )  5.00  5.00  1.00

! residue 74   Asp , NOEs forward in sequence
assi (resi 74   and name HB1 ) (resi 75   and name HN  )  5.00  5.00  1.00
assi (resi 74   and name HB2 ) (resi 75   and name HN  )  5.00  5.00  1.00
assi (resi 74   and name HA  ) (resi 79   and name HN  )  5.00  5.00  1.00
assi (resi 74   and name HB2 ) (resi 79   and name HB  )  5.00  5.00  1.00

! residue 75   Val , intraresidue NOEs
assi (resi 75   and name HN  ) (resi 75   and name HA  )  5.00  5.00  1.00
assi (resi 75   and name HN  ) (resi 75   and name HB  )  4.00  4.00  1.00
assi (resi 75   and name HN  ) (resi 75   and name HG1#)  5.00  5.00  1.30
assi (resi 75   and name HN  ) (resi 75   and name HG2#)  5.00  5.00  1.30
assi (resi 75   and name HA  ) (resi 75   and name HB  )  5.00  5.00  1.00
assi (resi 75   and name HA  ) (resi 75   and name HG1#)  5.00  5.00  1.30
assi (resi 75   and name HA  ) (resi 75   and name HG2#)  5.00  5.00  1.30
assi (resi 75   and name HB  ) (resi 75   and name HG1#)  5.00  5.00  1.30
assi (resi 75   and name HB  ) (resi 75   and name HG2#)  5.00  5.00  1.30

! residue 75   Val , NOEs forward in sequence
assi (resi 75   and name HN  ) (resi 77   and name HN  )  5.00  5.00  1.00
assi (resi 75   and name HA  ) (resi 77   and name HN  )  5.00  5.00  1.00
assi (resi 75   and name HA  ) (resi 79   and name HN  )  4.00  4.00  1.00
assi (resi 75   and name HA  ) (resi 79   and name HB  )  4.00  4.00  1.00
assi (resi 75   and name HG1#) (resi 79   and name HN  )  5.00  5.00  1.30
assi (resi 75   and name HG2#) (resi 79   and name HN  )  5.00  5.00  1.30

! residue 76   Pro , intraresidue NOEs

! residue 76   Pro , NOEs forward in sequence
assi (resi 76   and name HA  ) (resi 77   and name HN  )  5.00  5.00  1.00
assi (resi 76   and name HD# ) (resi 77   and name HN  )  5.00  5.00  2.00
assi (resi 76   and name HG# ) (resi 79   and name HN  )  5.00  5.00  3.00

! residue 77   Leu , intraresidue NOEs
assi (resi 77   and name HN  ) (resi 77   and name HA  )  5.00  5.00  1.00
assi (resi 77   and name HN  ) (resi 77   and name HG  )  5.00  5.00  1.00
assi (resi 77   and name HN  ) (resi 77   and name HB# )  4.00  4.00  2.00
assi (resi 77   and name HN  ) (resi 77   and name HD# )  5.00  5.00  3.40
assi (resi 77   and name HA  ) (resi 77   and name HG  )  5.00  5.00  1.00
assi (resi 77   and name HA  ) (resi 77   and name HB# )  5.00  5.00  2.00
assi (resi 77   and name HA  ) (resi 77   and name HD# )  5.00  5.00  3.40
assi (resi 77   and name HG  ) (resi 77   and name HD# )  5.00  5.00  3.40
assi (resi 77   and name HB# ) (resi 77   and name HD# )  5.00  5.00  4.40

! residue 77   Leu , NOEs forward in sequence
assi (resi 77   and name HN  ) (resi 78   and name HN  )  5.00  5.00  1.00
assi (resi 77   and name HA  ) (resi 78   and name HN  )  4.00  4.00  1.00
assi (resi 77   and name HB# ) (resi 78   and name HN  )  5.00  5.00  2.00
assi (resi 77   and name HN  ) (resi 79   and name HN  )  2.50  2.50  0.30
assi (resi 77   and name HN  ) (resi 79   and name HG2#)  5.00  5.00  1.30

! residue 78   Gly , intraresidue NOEs
assi (resi 78   and name HN  ) (resi 78   and name HA1 )  4.00  4.00  1.00
assi (resi 78   and name HN  ) (resi 78   and name HA2 )  5.00  5.00  1.00

! residue 78   Gly , NOEs forward in sequence
assi (resi 78   and name HN  ) (resi 79   and name HN  )  5.00  5.00  1.00
assi (resi 78   and name HA1 ) (resi 79   and name HN  )  5.00  5.00  1.00
assi (resi 78   and name HA2 ) (resi 79   and name HN  )  5.00  5.00  1.00

! residue 79   Thr , intraresidue NOEs
assi (resi 79   and name HN  ) (resi 79   and name HA  )  5.00  5.00  1.00
assi (resi 79   and name HN  ) (resi 79   and name HB  )  4.00  4.00  1.00
assi (resi 79   and name HN  ) (resi 79   and name HG2#)  5.00  5.00  1.30
assi (resi 79   and name HA  ) (resi 79   and name HB  )  3.00  3.00  0.30
assi (resi 79   and name HA  ) (resi 79   and name HG2#)  5.00  5.00  1.30
assi (resi 79   and name HB  ) (resi 79   and name HG2#)  5.00  5.00  1.30

! residue 79   Thr , NOEs forward in sequence

! residue 80   Pro , intraresidue NOEs

! residue 80   Pro , NOEs forward in sequence
assi (resi 80   and name HA  ) (resi 81   and name HN  )  5.00  5.00  1.00
assi (resi 80   and name HA  ) (resi 81   and name HG  )  4.00  4.00  1.00
assi (resi 80   and name HA  ) (resi 82   and name HN  )  5.00  5.00  1.00

! residue 81   Leu , intraresidue NOEs
assi (resi 81   and name HN  ) (resi 81   and name HA  )  5.00  5.00  1.00
assi (resi 81   and name HN  ) (resi 81   and name HG  )  5.00  5.00  1.00
assi (resi 81   and name HN  ) (resi 81   and name HD1#)  5.00  5.00  1.30
assi (resi 81   and name HN  ) (resi 81   and name HD2#)  5.00  5.00  1.30
assi (resi 81   and name HN  ) (resi 81   and name HB# )  4.00  4.00  2.00

! residue 81   Leu , NOEs forward in sequence
assi (resi 81   and name HN  ) (resi 82   and name HN  )  5.00  5.00  1.00
assi (resi 81   and name HA  ) (resi 82   and name HN  )  5.00  5.00  1.00
assi (resi 81   and name HA  ) (resi 82   and name HA  )  5.00  5.00  1.00
assi (resi 81   and name HB# ) (resi 82   and name HN  )  5.00  5.00  2.00

! residue 82   Cys , intraresidue NOEs
assi (resi 82   and name HN  ) (resi 82   and name HA  )  5.00  5.00  1.00

! residue 82   Cys , NOEs forward in sequence
assi (resi 82   and name HA  ) (resi 83   and name HN  )  3.00  3.00  0.30
assi (resi 82   and name HB# ) (resi 83   and name HN  )  5.00  5.00  2.00

! residue 83   Ile , intraresidue NOEs
assi (resi 83   and name HN  ) (resi 83   and name HA  )  5.00  5.00  1.00
assi (resi 83   and name HN  ) (resi 83   and name HB  )  4.00  4.00  1.00
assi (resi 83   and name HN  ) (resi 83   and name HG11)  4.00  4.00  1.00
assi (resi 83   and name HN  ) (resi 83   and name HG12)  4.00  4.00  1.00
assi (resi 83   and name HN  ) (resi 83   and name HG2#)  5.00  5.00  1.30
assi (resi 83   and name HN  ) (resi 83   and name HD1#)  5.00  5.00  1.30
assi (resi 83   and name HA  ) (resi 83   and name HB  )  5.00  5.00  1.00
assi (resi 83   and name HA  ) (resi 83   and name HG11)  4.00  4.00  1.00
assi (resi 83   and name HA  ) (resi 83   and name HG12)  4.00  4.00  1.00
assi (resi 83   and name HA  ) (resi 83   and name HG2#)  5.00  5.00  1.30
assi (resi 83   and name HA  ) (resi 83   and name HD1#)  5.00  5.00  1.30
assi (resi 83   and name HB  ) (resi 83   and name HG11)  4.00  4.00  1.00
assi (resi 83   and name HB  ) (resi 83   and name HG12)  3.00  3.00  0.30
assi (resi 83   and name HB  ) (resi 83   and name HG2#)  4.00  4.00  1.30
assi (resi 83   and name HB  ) (resi 83   and name HD1#)  5.00  5.00  1.30
assi (resi 83   and name HG11) (resi 83   and name HG2#)  4.00  4.00  1.30
assi (resi 83   and name HG11) (resi 83   and name HD1#)  4.00  4.00  1.30
assi (resi 83   and name HG12) (resi 83   and name HG2#)  3.00  3.00  0.60
assi (resi 83   and name HG12) (resi 83   and name HD1#)  4.00  4.00  1.30

! residue 83   Ile , NOEs forward in sequence
assi (resi 83   and name HN  ) (resi 84   and name HN  )  5.00  5.00  1.00
assi (resi 83   and name HN  ) (resi 84   and name HA  )  5.00  5.00  1.00
assi (resi 83   and name HA  ) (resi 84   and name HN  )  5.00  5.00  1.00

! residue 84   Ile , intraresidue NOEs
assi (resi 84   and name HN  ) (resi 84   and name HA  )  5.00  5.00  1.00
assi (resi 84   and name HN  ) (resi 84   and name HB  )  5.00  5.00  1.00
assi (resi 84   and name HN  ) (resi 84   and name HG11)  4.00  4.00  1.00
assi (resi 84   and name HN  ) (resi 84   and name HG12)  5.00  5.00  1.00
assi (resi 84   and name HN  ) (resi 84   and name HG2#)  5.00  5.00  1.30
assi (resi 84   and name HN  ) (resi 84   and name HD1#)  5.00  5.00  1.30
assi (resi 84   and name HA  ) (resi 84   and name HB  )  4.00  4.00  1.00
assi (resi 84   and name HA  ) (resi 84   and name HG11)  4.00  4.00  1.00
assi (resi 84   and name HA  ) (resi 84   and name HG12)  4.00  4.00  1.00
assi (resi 84   and name HA  ) (resi 84   and name HG2#)  5.00  5.00  1.30
assi (resi 84   and name HA  ) (resi 84   and name HD1#)  5.00  5.00  1.30
assi (resi 84   and name HB  ) (resi 84   and name HG11)  3.00  3.00  0.30
assi (resi 84   and name HB  ) (resi 84   and name HG12)  3.00  3.00  0.30
assi (resi 84   and name HB  ) (resi 84   and name HG2#)  4.00  4.00  1.30
assi (resi 84   and name HB  ) (resi 84   and name HD1#)  5.00  5.00  1.30
assi (resi 84   and name HG11) (resi 84   and name HG2#)  4.00  4.00  1.30
assi (resi 84   and name HG11) (resi 84   and name HD1#)  4.00  4.00  1.30
assi (resi 84   and name HG12) (resi 84   and name HG2#)  4.00  4.00  1.30
assi (resi 84   and name HG12) (resi 84   and name HD1#)  4.00  4.00  1.30

! residue 84   Ile , NOEs forward in sequence

! residue 85   Val , intraresidue NOEs
assi (resi 85   and name HN  ) (resi 85   and name HA  )  5.00  5.00  1.00
assi (resi 85   and name HN  ) (resi 85   and name HB  )  4.00  4.00  1.00
assi (resi 85   and name HN  ) (resi 85   and name HG1#)  5.00  5.00  1.30
assi (resi 85   and name HN  ) (resi 85   and name HG2#)  5.00  5.00  1.30
assi (resi 85   and name HA  ) (resi 85   and name HB  )  5.00  5.00  1.00
assi (resi 85   and name HA  ) (resi 85   and name HG1#)  5.00  5.00  1.30
assi (resi 85   and name HA  ) (resi 85   and name HG2#)  5.00  5.00  1.30
assi (resi 85   and name HB  ) (resi 85   and name HG1#)  4.00  4.00  1.30
assi (resi 85   and name HB  ) (resi 85   and name HG2#)  4.00  4.00  1.30

! residue 85   Val , NOEs forward in sequence
assi (resi 85   and name HA  ) (resi 86   and name HN  )  5.00  5.00  1.00

! residue 86   Glu , intraresidue NOEs
assi (resi 86   and name HN  ) (resi 86   and name HA  )  5.00  5.00  1.00

! residue 86   Glu , NOEs forward in sequence

! residue 87   Lys , intraresidue NOEs
assi (resi 87   and name HN  ) (resi 87   and name HA  )  5.00  5.00  1.00
assi (resi 87   and name HN  ) (resi 87   and name HB# )  5.00  5.00  2.00
assi (resi 87   and name HN  ) (resi 87   and name HG# )  5.00  5.00  2.00
assi (resi 87   and name HN  ) (resi 87   and name HD# )  5.00  5.00  2.00
assi (resi 87   and name HN  ) (resi 87   and name HE# )  5.00  5.00  2.00
assi (resi 87   and name HA  ) (resi 87   and name HB# )  5.00  5.00  2.00
assi (resi 87   and name HA  ) (resi 87   and name HG# )  5.00  5.00  2.00
assi (resi 87   and name HA  ) (resi 87   and name HD# )  5.00  5.00  2.00
assi (resi 87   and name HA  ) (resi 87   and name HE# )  5.00  5.00  2.00
assi (resi 87   and name HB# ) (resi 87   and name HG# )  3.00  3.00  2.30
assi (resi 87   and name HB# ) (resi 87   and name HE# )  4.00  4.00  3.00
assi (resi 87   and name HG# ) (resi 87   and name HE# )  5.00  5.00  3.00
assi (resi 87   and name HD# ) (resi 87   and name HE# )  4.00  4.00  3.00

! residue 87   Lys , NOEs forward in sequence
assi (resi 87   and name HA  ) (resi 88   and name HN  )  4.00  4.00  1.00

! residue 88   Glu , intraresidue NOEs
assi (resi 88   and name HN  ) (resi 88   and name HA  )  5.00  5.00  1.00

! residue 88   Glu , NOEs forward in sequence

! residue 89   Ala , intraresidue NOEs
assi (resi 89   and name HN  ) (resi 89   and name HA  )  5.00  5.00  1.00
assi (resi 89   and name HN  ) (resi 89   and name HB# )  5.00  5.00  1.30
assi (resi 89   and name HA  ) (resi 89   and name HB# )  5.00  5.00  1.30

! residue 89   Ala , NOEs forward in sequence

! residue 90   Asp , intraresidue NOEs
assi (resi 90   and name HN  ) (resi 90   and name HA  )  4.00  4.00  1.00
assi (resi 90   and name HN  ) (resi 90   and name HB1 )  5.00  5.00  1.00
assi (resi 90   and name HN  ) (resi 90   and name HB2 )  5.00  5.00  1.00
assi (resi 90   and name HA  ) (resi 90   and name HB1 )  5.00  5.00  1.00
assi (resi 90   and name HA  ) (resi 90   and name HB2 )  4.00  4.00  1.00

! residue 90   Asp , NOEs forward in sequence

! residue 91   Ile , intraresidue NOEs
assi (resi 91   and name HN  ) (resi 91   and name HA  )  5.00  5.00  1.00
assi (resi 91   and name HN  ) (resi 91   and name HG2#)  5.00  5.00  1.30
assi (resi 91   and name HN  ) (resi 91   and name HD1#)  5.00  5.00  1.30
assi (resi 91   and name HN  ) (resi 91   and name HG1#)  5.00  5.00  2.00
assi (resi 91   and name HA  ) (resi 91   and name HG2#)  5.00  5.00  1.30
assi (resi 91   and name HA  ) (resi 91   and name HD1#)  5.00  5.00  1.30
assi (resi 91   and name HA  ) (resi 91   and name HG1#)  4.00  4.00  2.00
assi (resi 91   and name HG2#) (resi 91   and name HG1#)  4.00  4.00  2.30
assi (resi 91   and name HD1#) (resi 91   and name HG1#)  4.00  4.00  2.30

! residue 91   Ile , NOEs forward in sequence

! residue 92   Ser , intraresidue NOEs
assi (resi 92   and name HN  ) (resi 92   and name HA  )  4.00  4.00  1.00
assi (resi 92   and name HN  ) (resi 92   and name HB# )  5.00  5.00  2.00
assi (resi 92   and name HA  ) (resi 92   and name HB# )  3.00  3.00  1.30

! residue 92   Ser , NOEs forward in sequence

! residue 93   Ala , intraresidue NOEs
assi (resi 93   and name HN  ) (resi 93   and name HA  )  4.00  4.00  1.00
assi (resi 93   and name HN  ) (resi 93   and name HB# )  5.00  5.00  1.30
assi (resi 93   and name HA  ) (resi 93   and name HB# )  4.00  4.00  1.30

! residue 93   Ala , NOEs forward in sequence

! residue 94   Phe , intraresidue NOEs
assi (resi 94   and name HN  ) (resi 94   and name HA  )  4.00  4.00  1.00
assi (resi 94   and name HN  ) (resi 94   and name HB1 )  5.00  5.00  1.00
assi (resi 94   and name HN  ) (resi 94   and name HB2 )  5.00  5.00  1.00
assi (resi 94   and name HA  ) (resi 94   and name HB1 )  5.00  5.00  1.00
assi (resi 94   and name HA  ) (resi 94   and name HB2 )  5.00  5.00  1.00

! residue 94   Phe , NOEs forward in sequence

! residue 95   Ala , intraresidue NOEs
assi (resi 95   and name HN  ) (resi 95   and name HA  )  4.00  4.00  1.00
assi (resi 95   and name HN  ) (resi 95   and name HB# )  5.00  5.00  1.30
assi (resi 95   and name HA  ) (resi 95   and name HB# )  5.00  5.00  1.30

! residue 95   Ala , NOEs forward in sequence

! residue 96   Asp , intraresidue NOEs

! residue 96   Asp , NOEs forward in sequence

! residue 97   Tyr , intraresidue NOEs
assi (resi 97   and name HN  ) (resi 97   and name HA  )  5.00  5.00  1.00
assi (resi 97   and name HN  ) (resi 97   and name HB# )  5.00  5.00  2.00
assi (resi 97   and name HA  ) (resi 97   and name HB# )  4.00  4.00  2.00

! residue 97   Tyr , NOEs forward in sequence

! residue 98   Arg , intraresidue NOEs
assi (resi 98   and name HN  ) (resi 98   and name HA  )  5.00  5.00  1.00

! residue 98   Arg , NOEs forward in sequence

! residue 99   Pro , intraresidue NOEs

! residue 99   Pro , NOEs forward in sequence

! residue 100  Thr , intraresidue NOEs
assi (resi 100  and name HN  ) (resi 100  and name HA  )  5.00  5.00  1.00
assi (resi 100  and name HN  ) (resi 100  and name HB  )  4.00  4.00  1.00
assi (resi 100  and name HN  ) (resi 100  and name HG2#)  5.00  5.00  1.30
assi (resi 100  and name HA  ) (resi 100  and name HB  )  5.00  5.00  1.00
assi (resi 100  and name HA  ) (resi 100  and name HG2#)  5.00  5.00  1.30
assi (resi 100  and name HB  ) (resi 100  and name HG2#)  4.00  4.00  1.30

! residue 100  Thr , NOEs forward in sequence

! residue 101  Glu , intraresidue NOEs
assi (resi 101  and name HN  ) (resi 101  and name HA  )  5.00  5.00  1.00

! residue 101  Glu , NOEs forward in sequence

! residue 102  Val , intraresidue NOEs
assi (resi 102  and name HN  ) (resi 102  and name HA  )  5.00  5.00  1.00
assi (resi 102  and name HN  ) (resi 102  and name HB  )  5.00  5.00  1.00
assi (resi 102  and name HN  ) (resi 102  and name HG# )  5.00  5.00  3.40
assi (resi 102  and name HA  ) (resi 102  and name HB  )  5.00  5.00  1.00
assi (resi 102  and name HA  ) (resi 102  and name HG# )  5.00  5.00  3.40
assi (resi 102  and name HB  ) (resi 102  and name HG# )  5.00  5.00  3.40

! residue 102  Val , NOEs forward in sequence

! residue 103  Thr , intraresidue NOEs
assi (resi 103  and name HN  ) (resi 103  and name HA  )  5.00  5.00  1.00
assi (resi 103  and name HN  ) (resi 103  and name HB  )  5.00  5.00  1.00
assi (resi 103  and name HN  ) (resi 103  and name HG2#)  5.00  5.00  1.30
assi (resi 103  and name HA  ) (resi 103  and name HB  )  5.00  5.00  1.00
assi (resi 103  and name HA  ) (resi 103  and name HG2#)  5.00  5.00  1.30
assi (resi 103  and name HB  ) (resi 103  and name HG2#)  5.00  5.00  1.30

! residue 103  Thr , NOEs forward in sequence

! residue 104  Asp , intraresidue NOEs
assi (resi 104  and name HN  ) (resi 104  and name HA  )  5.00  5.00  1.00
assi (resi 104  and name HN  ) (resi 104  and name HB1 )  5.00  5.00  1.00
assi (resi 104  and name HN  ) (resi 104  and name HB2 )  5.00  5.00  1.00
assi (resi 104  and name HA  ) (resi 104  and name HB1 )  5.00  5.00  1.00
assi (resi 104  and name HA  ) (resi 104  and name HB2 )  5.00  5.00  1.00

! residue 104  Asp , NOEs forward in sequence

! residue 105  Leu , intraresidue NOEs
assi (resi 105  and name HN  ) (resi 105  and name HA  )  5.00  5.00  1.00
assi (resi 105  and name HN  ) (resi 105  and name HG  )  5.00  5.00  1.00
assi (resi 105  and name HN  ) (resi 105  and name HD1#)  5.00  5.00  1.30
assi (resi 105  and name HN  ) (resi 105  and name HD2#)  5.00  5.00  1.30
assi (resi 105  and name HN  ) (resi 105  and name HB# )  5.00  5.00  2.00
assi (resi 105  and name HA  ) (resi 105  and name HG  )  5.00  5.00  1.00
assi (resi 105  and name HA  ) (resi 105  and name HD1#)  5.00  5.00  1.30
assi (resi 105  and name HA  ) (resi 105  and name HD2#)  5.00  5.00  1.30
assi (resi 105  and name HA  ) (resi 105  and name HB# )  5.00  5.00  2.00
assi (resi 105  and name HG  ) (resi 105  and name HD1#)  5.00  5.00  1.30
assi (resi 105  and name HG  ) (resi 105  and name HD2#)  4.00  4.00  1.30
assi (resi 105  and name HD1#) (resi 105  and name HB# )  5.00  5.00  2.30
assi (resi 105  and name HD2#) (resi 105  and name HB# )  4.00  4.00  2.30

! residue 105  Leu , NOEs forward in sequence

! residue 106  Lys , intraresidue NOEs
assi (resi 106  and name HN  ) (resi 106  and name HA  )  5.00  5.00  1.00
assi (resi 106  and name HN  ) (resi 106  and name HG1 )  5.00  5.00  1.00
assi (resi 106  and name HN  ) (resi 106  and name HG2 )  5.00  5.00  1.00
assi (resi 106  and name HN  ) (resi 106  and name HD1 )  5.00  5.00  1.00
assi (resi 106  and name HN  ) (resi 106  and name HD2 )  5.00  5.00  1.00
assi (resi 106  and name HN  ) (resi 106  and name HE1 )  5.00  5.00  1.00
assi (resi 106  and name HN  ) (resi 106  and name HE2 )  5.00  5.00  1.00
assi (resi 106  and name HN  ) (resi 106  and name HB# )  5.00  5.00  2.00
assi (resi 106  and name HA  ) (resi 106  and name HG1 )  4.00  4.00  1.00
assi (resi 106  and name HA  ) (resi 106  and name HG2 )  4.00  4.00  1.00
assi (resi 106  and name HA  ) (resi 106  and name HD1 )  5.00  5.00  1.00
assi (resi 106  and name HA  ) (resi 106  and name HD2 )  5.00  5.00  1.00
assi (resi 106  and name HA  ) (resi 106  and name HE1 )  5.00  5.00  1.00
assi (resi 106  and name HA  ) (resi 106  and name HE2 )  5.00  5.00  1.00
assi (resi 106  and name HA  ) (resi 106  and name HB# )  4.00  4.00  2.00
assi (resi 106  and name HG1 ) (resi 106  and name HD1 )  3.00  3.00  0.30
assi (resi 106  and name HG1 ) (resi 106  and name HD2 )  3.00  3.00  0.30
assi (resi 106  and name HG1 ) (resi 106  and name HE1 )  5.00  5.00  1.00
assi (resi 106  and name HG1 ) (resi 106  and name HE2 )  5.00  5.00  1.00
assi (resi 106  and name HG1 ) (resi 106  and name HB# )  4.00  4.00  2.00
assi (resi 106  and name HG2 ) (resi 106  and name HD1 )  3.00  3.00  0.30
assi (resi 106  and name HG2 ) (resi 106  and name HD2 )  3.00  3.00  0.30
assi (resi 106  and name HG2 ) (resi 106  and name HE1 )  5.00  5.00  1.00
assi (resi 106  and name HG2 ) (resi 106  and name HE2 )  5.00  5.00  1.00
assi (resi 106  and name HG2 ) (resi 106  and name HB# )  4.00  4.00  2.00
assi (resi 106  and name HD1 ) (resi 106  and name HE1 )  5.00  5.00  1.00
assi (resi 106  and name HD1 ) (resi 106  and name HE2 )  5.00  5.00  1.00
assi (resi 106  and name HD2 ) (resi 106  and name HE1 )  4.00  4.00  1.00
assi (resi 106  and name HD2 ) (resi 106  and name HE2 )  4.00  4.00  1.00
assi (resi 106  and name HE1 ) (resi 106  and name HB# )  5.00  5.00  2.00
assi (resi 106  and name HE2 ) (resi 106  and name HB# )  5.00  5.00  2.00
!
! number of restraints as function of range
! |i-j| = 0 :    743
! |i-j| = 1 :    160
! |i-j| = 2 :     35
! |i-j| = 3 :     17
! |i-j| = 4 :     13
! |i-j| > 4 :    301
! total     :   1269

  Entry H atom name         Submitted Coord H atom name
    1   1H    GLY   1           HT1      GLY   1  23.330  10.123  10.123
    2   2H    GLY   1           HT3      GLY   1  24.827   9.982   9.982
    3   3H    GLY   1           HT2      GLY   1  23.809   8.629   8.629
    4   1HA   GLY   1           HA2      GLY   1  23.926   9.737   9.737
    5   2HA   GLY   1           HA1      GLY   1  22.920  10.967  10.967
    6    H    SER   2           HN       SER   2  21.757   8.168   8.168
    7    HA   SER   2           HA       SER   2  19.167   9.276   9.276
    8   1HB   SER   2           HB2      SER   2  19.949   6.352   6.352
    9   2HB   SER   2           HB1      SER   2  18.342   6.967   6.967
   10    HG   SER   2           HG       SER   2  18.974   7.325   7.325
   11    H    ASN   3           HN       ASN   3  17.621   7.524   7.524
   12    HA   ASN   3           HA       ASN   3  18.692   7.496   7.496
   13   1HB   ASN   3           HB2      ASN   3  17.571   9.814   9.814
   14   2HB   ASN   3           HB1      ASN   3  16.080   8.918   8.918
   15   1HD2  ASN   3          HD22      ASN   3  18.661   9.089   9.089
   16   2HD2  ASN   3          HD21      ASN   3  19.285   8.778   8.778
   17    H    MET   4           HN       MET   4  18.321   5.221   5.221
   18    HA   MET   4           HA       MET   4  15.429   4.481   4.481
   19   1HB   MET   4           HB2      MET   4  16.304   2.234   2.234
   20   2HB   MET   4           HB1      MET   4  16.000   3.605   3.605
   21   1HG   MET   4           HG2      MET   4  18.299   4.130   4.130
   22   2HG   MET   4           HG1      MET   4  18.714   3.158   3.158
   23   1HE   MET   4           HE2      MET   4  17.257   3.382   3.382
   24   2HE   MET   4           HE1      MET   4  18.888   3.042   3.042
   25   3HE   MET   4           HE3      MET   4  17.586   1.878   1.878
   26    H    SER   5           HN       SER   5  15.007   2.599   2.599
   27    HA   SER   5           HA       SER   5  17.140   1.340   1.340
   28   1HB   SER   5           HB2      SER   5  15.355   3.269   3.269
   29   2HB   SER   5           HB1      SER   5  16.643   2.276   2.276
   30    HG   SER   5           HG       SER   5  16.775   4.568   4.568
   31    H    TYR   6           HN       TYR   6  16.345  -0.674  -0.674
   32    HA   TYR   6           HA       TYR   6  14.816  -2.411  -2.411
   33   1HB   TYR   6           HB2      TYR   6  14.265  -0.419  -0.419
   34   2HB   TYR   6           HB1      TYR   6  12.691  -0.785  -0.785
   35    HD1  TYR   6           HD2      TYR   6  15.753  -2.773  -2.773
   36    HD2  TYR   6           HD1      TYR   6  11.487  -2.367  -2.367
   37    HE1  TYR   6           HE2      TYR   6  15.647  -4.874  -4.874
   38    HE2  TYR   6           HE1      TYR   6  11.381  -4.468  -4.468
   39    HH   TYR   6           HH       TYR   6  12.711  -6.495  -6.495
   40    HA   PRO   7           HA       PRO   7  11.968  -2.131  -2.131
   41   1HB   PRO   7           HB2      PRO   7  10.523  -4.413  -4.413
   42   2HB   PRO   7           HB1      PRO   7  12.157  -4.422  -4.422
   43   1HG   PRO   7           HG2      PRO   7  11.280  -5.103  -5.103
   44   2HG   PRO   7           HG1      PRO   7  12.699  -5.667  -5.667
   45   1HD   PRO   7           HD2      PRO   7  12.693  -3.672  -3.672
   46   2HD   PRO   7           HD1      PRO   7  14.022  -4.014  -4.014
   47    HA   PRO   8           HA       PRO   8   8.257  -0.349  -0.349
   48   1HB   PRO   8           HB2      PRO   8   6.731  -0.467  -0.467
   49   2HB   PRO   8           HB1      PRO   8   8.042   0.701   0.701
   50   1HG   PRO   8           HG2      PRO   8   8.000  -1.745  -1.745
   51   2HG   PRO   8           HG1      PRO   8   8.959  -0.266  -0.266
   52   1HD   PRO   8           HD2      PRO   8   9.891  -2.729  -2.729
   53   2HD   PRO   8           HD1      PRO   8  10.723  -1.163  -1.163
   54    H    HIS   9           HN       HIS   9   5.969  -0.892  -0.892
   55    HA   HIS   9           HA       HIS   9   4.681  -3.284  -3.284
   56   1HB   HIS   9           HB2      HIS   9   6.827  -3.887  -3.887
   57   2HB   HIS   9           HB1      HIS   9   5.476  -3.840  -3.840
   58    HD1  HIS   9           HD1      HIS   9   7.013  -5.926  -5.926
   59    HD2  HIS   9           HD2      HIS   9   3.259  -5.626  -5.626
   60    HE1  HIS   9           HE1      HIS   9   5.779  -8.065  -8.065
   61    H    MET  10           HN       MET  10   3.065  -1.576  -1.576
   62    HA   MET  10           HA       MET  10   2.296  -0.327  -0.327
   63   1HB   MET  10           HB2      MET  10   1.268  -0.444  -0.444
   64   2HB   MET  10           HB1      MET  10   0.082  -0.091  -0.091
   65   1HG   MET  10           HG2      MET  10   0.940   2.037   2.037
   66   2HG   MET  10           HG1      MET  10   1.730   1.674   1.674
   67   1HE   MET  10           HE2      MET  10   3.753   1.491   1.491
   68   2HE   MET  10           HE1      MET  10   4.432   0.084   0.084
   69   3HE   MET  10           HE3      MET  10   5.213   1.663   1.663
   70    H    GLN  11           HN       GLN  11   1.894  -2.040  -2.040
   71    HA   GLN  11           HA       GLN  11   0.451  -4.395  -4.395
   72   1HB   GLN  11           HB2      GLN  11  -0.205  -2.704  -2.704
   73   2HB   GLN  11           HB1      GLN  11   0.041  -4.446  -4.446
   74   1HG   GLN  11           HG2      GLN  11   2.483  -3.450  -3.450
   75   2HG   GLN  11           HG1      GLN  11   2.011  -2.309  -2.309
   76   1HE2  GLN  11          HE22      GLN  11   3.393  -4.675  -4.675
   77   2HE2  GLN  11          HE21      GLN  11   3.580  -3.147  -3.147
   78    H    VAL  12           HN       VAL  12  -1.616  -4.884  -4.884
   79    HA   VAL  12           HA       VAL  12  -3.449  -3.000  -3.000
   80    HB   VAL  12           HB       VAL  12  -5.100  -4.886  -4.886
   81   1HG1  VAL  12          HG12      VAL  12  -2.596  -4.922  -4.922
   82   2HG1  VAL  12          HG11      VAL  12  -3.201  -6.546  -6.546
   83   3HG1  VAL  12          HG13      VAL  12  -4.216  -5.382  -5.382
   84   1HG2  VAL  12          HG21      VAL  12  -3.903  -5.641  -5.641
   85   2HG2  VAL  12          HG23      VAL  12  -4.392  -6.920  -6.920
   86   3HG2  VAL  12          HG22      VAL  12  -2.712  -6.389  -6.389
   87    H    LEU  13           HN       LEU  13  -2.827  -4.159  -4.159
   88    HA   LEU  13           HA       LEU  13  -5.204  -3.091  -3.091
   89   1HB   LEU  13           HB2      LEU  13  -3.924  -3.259  -3.259
   90   2HB   LEU  13           HB1      LEU  13  -3.842  -4.739  -4.739
   91    HG   LEU  13           HG       LEU  13  -1.727  -2.951  -2.951
   92   1HD1  LEU  13          HD12      LEU  13  -2.222  -2.307  -2.307
   93   2HD1  LEU  13          HD11      LEU  13  -1.439  -3.849  -3.849
   94   3HD1  LEU  13          HD13      LEU  13  -0.559  -2.587  -2.587
   95   1HD2  LEU  13          HD22      LEU  13  -1.878  -5.681  -5.681
   96   2HD2  LEU  13          HD21      LEU  13  -1.698  -5.333  -5.333
   97   3HD2  LEU  13          HD23      LEU  13  -0.382  -4.968  -4.968
   98    H    LEU  14           HN       LEU  14  -5.501  -1.125  -1.125
   99    HA   LEU  14           HA       LEU  14  -4.098   1.153   1.153
  100   1HB   LEU  14           HB2      LEU  14  -6.487   0.665   0.665
  101   2HB   LEU  14           HB1      LEU  14  -5.588   2.072   2.072
  102    HG   LEU  14           HG       LEU  14  -7.166   2.792   2.792
  103   1HD1  LEU  14          HD11      LEU  14  -4.687   3.609   3.609
  104   2HD1  LEU  14          HD13      LEU  14  -4.520   2.698   2.698
  105   3HD1  LEU  14          HD12      LEU  14  -5.677   4.025   4.025
  106   1HD2  LEU  14          HD21      LEU  14  -6.456   0.277   0.277
  107   2HD2  LEU  14          HD23      LEU  14  -7.718   1.398   1.398
  108   3HD2  LEU  14          HD22      LEU  14  -6.088   1.549   1.549
  109    HA   PRO  15           HA       PRO  15  -1.007   1.140   1.140
  110   1HB   PRO  15           HB2      PRO  15   0.383   3.303   3.303
  111   2HB   PRO  15           HB1      PRO  15   0.529   1.668   1.668
  112   1HG   PRO  15           HG2      PRO  15  -0.879   4.037   4.037
  113   2HG   PRO  15           HG1      PRO  15  -0.188   2.636   2.636
  114   1HD   PRO  15           HD2      PRO  15  -2.936   3.053   3.053
  115   2HD   PRO  15           HD1      PRO  15  -2.198   1.536   1.536
  116    H    ALA  16           HN       ALA  16  -2.774   1.882   1.882
  117    HA   ALA  16           HA       ALA  16  -2.711   4.838   4.838
  118   1HB   ALA  16           HB2      ALA  16  -4.712   2.752   2.752
  119   2HB   ALA  16           HB1      ALA  16  -4.784   4.466   4.466
  120   3HB   ALA  16           HB3      ALA  16  -4.967   3.950   3.950
  121    H    LEU  17           HN       LEU  17  -3.401   2.111   2.111
  122    HA   LEU  17           HA       LEU  17  -2.231   1.403   1.403
  123   1HB   LEU  17           HB2      LEU  17  -0.206   2.512   2.512
  124   2HB   LEU  17           HB1      LEU  17  -0.235   3.586   3.586
  125    HG   LEU  17           HG       LEU  17  -0.495   1.106   1.106
  126   1HD1  LEU  17          HD11      LEU  17   0.677   0.772   0.772
  127   2HD1  LEU  17          HD13      LEU  17   1.784   0.253   0.253
  128   3HD1  LEU  17          HD12      LEU  17   0.173  -0.456  -0.456
  129   1HD2  LEU  17          HD23      LEU  17   1.093   3.189   3.189
  130   2HD2  LEU  17          HD22      LEU  17   1.576   1.603   1.603
  131   3HD2  LEU  17          HD21      LEU  17   2.241   2.211   2.211
  132    H    SER  18           HN       SER  18  -3.900   4.132   4.132
  133    HA   SER  18           HA       SER  18  -4.475   4.590   4.590
  134   1HB   SER  18           HB2      SER  18  -3.561   6.954   6.954
  135   2HB   SER  18           HB1      SER  18  -2.337   5.688   5.688
  136    HG   SER  18           HG       SER  18  -1.556   6.549   6.549
  137    HA   PRO  19           HA       PRO  19  -7.285   6.339   6.339
  138   1HB   PRO  19           HB2      PRO  19  -9.201   4.377   4.377
  139   2HB   PRO  19           HB1      PRO  19  -7.818   4.324   4.324
  140   1HG   PRO  19           HG2      PRO  19  -8.285   2.760   2.760
  141   2HG   PRO  19           HG1      PRO  19  -7.315   2.341   2.341
  142   1HD   PRO  19           HD2      PRO  19  -6.313   3.296   3.296
  143   2HD   PRO  19           HD1      PRO  19  -5.412   3.179   3.179
  144    H    THR  20           HN       THR  20  -7.242   5.677   5.677
  145    HA   THR  20           HA       THR  20  -8.527   6.479   6.479
  146    HB   THR  20           HB       THR  20 -10.147   8.042   8.042
  147    HG1  THR  20           HG1      THR  20  -8.290   8.831   8.831
  148   1HG2  THR  20          HG23      THR  20 -10.836   8.081   8.081
  149   2HG2  THR  20          HG22      THR  20  -9.220   8.623   8.623
  150   3HG2  THR  20          HG21      THR  20 -10.256   9.660   9.660
  151    H    MET  21           HN       MET  21  -9.444   4.317   4.317
  152    HA   MET  21           HA       MET  21 -11.980   3.754   3.754
  153   1HB   MET  21           HB2      MET  21 -11.845   4.786   4.786
  154   2HB   MET  21           HB1      MET  21 -12.699   3.246   3.246
  155   1HG   MET  21           HG2      MET  21 -13.403   5.109   5.109
  156   2HG   MET  21           HG1      MET  21 -13.807   5.717   5.717
  157   1HE   MET  21           HE3      MET  21 -14.329   3.677   3.677
  158   2HE   MET  21           HE2      MET  21 -15.755   2.677   2.677
  159   3HE   MET  21           HE1      MET  21 -14.173   2.088   2.088
  160    H    THR  22           HN       THR  22 -12.853   1.667   1.667
  161    HA   THR  22           HA       THR  22 -10.538  -0.103  -0.103
  162    HB   THR  22           HB       THR  22 -12.687  -0.751  -0.751
  163    HG1  THR  22           HG1      THR  22 -11.259   0.291   0.291
  164   1HG2  THR  22          HG22      THR  22 -10.793  -2.398  -2.398
  165   2HG2  THR  22          HG21      THR  22 -10.765  -2.690  -2.690
  166   3HG2  THR  22          HG23      THR  22 -12.271  -2.869  -2.869
  167    H    MET  23           HN       MET  23 -12.822   1.120   1.120
  168    HA   MET  23           HA       MET  23 -13.568  -1.293  -1.293
  169   1HB   MET  23           HB2      MET  23 -16.076  -0.644  -0.644
  170   2HB   MET  23           HB1      MET  23 -15.332  -1.532  -1.532
  171   1HG   MET  23           HG2      MET  23 -15.304   0.311   0.311
  172   2HG   MET  23           HG1      MET  23 -15.212   1.456   1.456
  173   1HE   MET  23           HE2      MET  23 -16.696   2.542   2.542
  174   2HE   MET  23           HE1      MET  23 -17.745   1.430   1.430
  175   3HE   MET  23           HE3      MET  23 -18.440   2.617   2.617
  176    H    GLY  24           HN       GLY  24 -12.279   0.177   0.177
  177   1HA   GLY  24           HA2      GLY  24 -13.981   2.350   2.350
  178   2HA   GLY  24           HA1      GLY  24 -12.220   2.323   2.323
  179    H    THR  25           HN       THR  25 -14.171   2.447   2.447
  180    HA   THR  25           HA       THR  25 -13.302  -0.022  -0.022
  181    HB   THR  25           HB       THR  25 -15.637  -0.355  -0.355
  182    HG1  THR  25           HG1      THR  25 -16.315  -0.443  -0.443
  183   1HG2  THR  25          HG22      THR  25 -15.679   2.563   2.563
  184   2HG2  THR  25          HG21      THR  25 -17.006   1.812   1.812
  185   3HG2  THR  25          HG23      THR  25 -16.788   1.473   1.473
  186    H    VAL  26           HN       VAL  26 -12.592   0.343   0.343
  187    HA   VAL  26           HA       VAL  26 -11.462   2.767   2.767
  188    HB   VAL  26           HB       VAL  26 -12.764   0.978   0.978
  189   1HG1  VAL  26          HG11      VAL  26 -10.221   2.624   2.624
  190   2HG1  VAL  26          HG13      VAL  26 -10.618   1.527   1.527
  191   3HG1  VAL  26          HG12      VAL  26 -11.637   2.932   2.932
  192   1HG2  VAL  26          HG21      VAL  26 -10.541   0.404   0.404
  193   2HG2  VAL  26          HG23      VAL  26 -11.737  -0.693  -0.693
  194   3HG2  VAL  26          HG22      VAL  26 -10.365  -0.164  -0.164
  195    H    GLN  27           HN       GLN  27 -12.283   4.724   4.724
  196    HA   GLN  27           HA       GLN  27 -15.206   4.975   4.975
  197   1HB   GLN  27           HB2      GLN  27 -13.603   6.480   6.480
  198   2HB   GLN  27           HB1      GLN  27 -13.331   7.314   7.314
  199   1HG   GLN  27           HG2      GLN  27 -16.041   7.089   7.089
  200   2HG   GLN  27           HG1      GLN  27 -15.760   7.222   7.222
  201   1HE2  GLN  27          HE22      GLN  27 -15.722  10.729  10.729
  202   2HE2  GLN  27          HE21      GLN  27 -16.546   9.418   9.418
  203    H    ARG  28           HN       ARG  28 -12.340   6.283   6.283
  204    HA   ARG  28           HA       ARG  28 -13.682   5.645   5.645
  205   1HB   ARG  28           HB2      ARG  28 -13.655   8.025   8.025
  206   2HB   ARG  28           HB1      ARG  28 -14.806   7.723   7.723
  207   1HG   ARG  28           HG2      ARG  28 -12.680   8.362   8.362
  208   2HG   ARG  28           HG1      ARG  28 -12.256   9.268   9.268
  209   1HD   ARG  28           HD2      ARG  28 -14.941   9.456   9.456
  210   2HD   ARG  28           HD1      ARG  28 -13.618  10.596  10.596
  211    HE   ARG  28           HE       ARG  28 -14.080  10.441  10.441
  212   1HH1  ARG  28          HH11      ARG  28 -16.807  10.372  10.372
  213   2HH1  ARG  28          HH12      ARG  28 -17.282  12.023  12.023
  214   1HH2  ARG  28          HH21      ARG  28 -14.194  13.027  13.027
  215   2HH2  ARG  28          HH22      ARG  28 -15.803  13.526  13.526
  216    H    TRP  29           HN       TRP  29 -12.099   4.973   4.973
  217    HA   TRP  29           HA       TRP  29  -9.804   6.540   6.540
  218   1HB   TRP  29           HB2      TRP  29  -8.091   5.675   5.675
  219   2HB   TRP  29           HB1      TRP  29  -9.393   5.359   5.359
  220    HD1  TRP  29           HD1      TRP  29 -10.611   2.772   2.772
  221    HE1  TRP  29           HE1      TRP  29  -9.269   0.593   0.593
  222    HE3  TRP  29           HE3      TRP  29  -6.026   4.708   4.708
  223    HZ2  TRP  29           HZ2      TRP  29  -6.581  -0.183  -0.183
  224    HZ3  TRP  29           HZ3      TRP  29  -4.088   3.242   3.242
  225    HH2  TRP  29           HH2      TRP  29  -4.370   0.793   0.793
  226    H    GLU  30           HN       GLU  30 -11.769   5.382   5.382
  227    HA   GLU  30           HA       GLU  30 -11.042   2.808   2.808
  228   1HB   GLU  30           HB2      GLU  30 -13.231   4.351   4.351
  229   2HB   GLU  30           HB1      GLU  30 -12.416   4.769   4.769
  230   1HG   GLU  30           HG2      GLU  30 -12.102   2.046   2.046
  231   2HG   GLU  30           HG1      GLU  30 -13.683   2.231   2.231
  232    H    LYS  31           HN       LYS  31  -8.853   2.776   2.776
  233    HA   LYS  31           HA       LYS  31  -7.676   4.828   4.828
  234   1HB   LYS  31           HB2      LYS  31  -6.317   3.573   3.573
  235   2HB   LYS  31           HB1      LYS  31  -6.639   2.080   2.080
  236   1HG   LYS  31           HG2      LYS  31  -5.517   2.964   2.964
  237   2HG   LYS  31           HG1      LYS  31  -5.264   4.513   4.513
  238   1HD   LYS  31           HD2      LYS  31  -4.264   2.027   2.027
  239   2HD   LYS  31           HD1      LYS  31  -3.350   2.677   2.677
  240   1HE   LYS  31           HE2      LYS  31  -2.374   3.857   3.857
  241   2HE   LYS  31           HE1      LYS  31  -3.678   4.964   4.964
  242   1HZ   LYS  31           HZ3      LYS  31  -4.779   3.142   3.142
  243   2HZ   LYS  31           HZ2      LYS  31  -3.266   3.536   3.536
  244   3HZ   LYS  31           HZ1      LYS  31  -4.393   4.761   4.761
  245    H    LYS  32           HN       LYS  32  -6.645   4.117   4.117
  246    HA   LYS  32           HA       LYS  32  -8.687   2.577   2.577
  247   1HB   LYS  32           HB2      LYS  32  -6.528   4.527   4.527
  248   2HB   LYS  32           HB1      LYS  32  -7.326   3.510   3.510
  249   1HG   LYS  32           HG2      LYS  32  -9.379   4.550   4.550
  250   2HG   LYS  32           HG1      LYS  32  -9.030   5.027   5.027
  251   1HD   LYS  32           HD2      LYS  32  -7.131   6.466   6.466
  252   2HD   LYS  32           HD1      LYS  32  -8.256   6.362   6.362
  253   1HE   LYS  32           HE2      LYS  32  -9.699   7.807   7.807
  254   2HE   LYS  32           HE1      LYS  32  -9.614   6.966   6.966
  255   1HZ   LYS  32           HZ3      LYS  32  -7.226   8.425   8.425
  256   2HZ   LYS  32           HZ2      LYS  32  -8.594   9.403   9.403
  257   3HZ   LYS  32           HZ1      LYS  32  -8.062   8.361   8.361
  258    H    VAL  33           HN       VAL  33  -8.284   0.465   0.465
  259    HA   VAL  33           HA       VAL  33  -6.363  -1.229  -1.229
  260    HB   VAL  33           HB       VAL  33  -6.771  -2.494  -2.494
  261   1HG1  VAL  33          HG13      VAL  33  -8.520  -1.900  -1.900
  262   2HG1  VAL  33          HG12      VAL  33  -9.474  -1.514  -1.514
  263   3HG1  VAL  33          HG11      VAL  33  -8.792  -3.129  -3.129
  264   1HG2  VAL  33          HG21      VAL  33  -7.809   0.195   0.195
  265   2HG2  VAL  33          HG23      VAL  33  -6.989  -1.018  -1.018
  266   3HG2  VAL  33          HG22      VAL  33  -8.696  -1.213  -1.213
  267    H    GLY  34           HN       GLY  34  -4.269  -1.730  -1.730
  268   1HA   GLY  34           HA2      GLY  34  -2.071  -1.244  -1.244
  269   2HA   GLY  34           HA1      GLY  34  -2.769  -1.329  -1.329
  270    H    GLU  35           HN       GLU  35  -3.228   1.070   1.070
  271    HA   GLU  35           HA       GLU  35  -3.112   3.270   3.270
  272   1HB   GLU  35           HB2      GLU  35  -4.148   3.054   3.054
  273   2HB   GLU  35           HB1      GLU  35  -2.574   3.703   3.703
  274   1HG   GLU  35           HG2      GLU  35  -3.217   5.323   5.323
  275   2HG   GLU  35           HG1      GLU  35  -4.810   5.013   5.013
  276    H    LYS  36           HN       LYS  36  -1.310   4.791   4.791
  277    HA   LYS  36           HA       LYS  36   1.272   3.927   3.927
  278   1HB   LYS  36           HB2      LYS  36   1.499   3.243   3.243
  279   2HB   LYS  36           HB1      LYS  36   0.692   4.690   4.690
  280   1HG   LYS  36           HG2      LYS  36   3.015   5.387   5.387
  281   2HG   LYS  36           HG1      LYS  36   3.459   4.303   4.303
  282   1HD   LYS  36           HD2      LYS  36   1.640   6.635   6.635
  283   2HD   LYS  36           HD1      LYS  36   3.383   6.889   6.889
  284   1HE   LYS  36           HE2      LYS  36   3.819   5.507   5.507
  285   2HE   LYS  36           HE1      LYS  36   2.265   4.683   4.683
  286   1HZ   LYS  36           HZ2      LYS  36   1.440   7.164   7.164
  287   2HZ   LYS  36           HZ1      LYS  36   2.914   7.237   7.237
  288   3HZ   LYS  36           HZ3      LYS  36   1.747   6.087   6.087
  289    H    LEU  37           HN       LEU  37   1.341   5.598   5.598
  290    HA   LEU  37           HA       LEU  37   1.263   8.372   8.372
  291   1HB   LEU  37           HB2      LEU  37  -0.157   7.241   7.241
  292   2HB   LEU  37           HB1      LEU  37   1.023   8.369   8.369
  293    HG   LEU  37           HG       LEU  37  -0.964   9.632   9.632
  294   1HD1  LEU  37          HD12      LEU  37   1.383  10.463  10.463
  295   2HD1  LEU  37          HD11      LEU  37   0.762  10.177  10.177
  296   3HD1  LEU  37          HD13      LEU  37  -0.047  11.328  11.328
  297   1HD2  LEU  37          HD23      LEU  37  -0.891   8.033   8.033
  298   2HD2  LEU  37          HD22      LEU  37  -2.264   8.427   8.427
  299   3HD2  LEU  37          HD21      LEU  37  -1.601   9.646   9.646
  300    H    SER  38           HN       SER  38   2.902   9.822   9.822
  301    HA   SER  38           HA       SER  38   5.096   8.649   8.649
  302   1HB   SER  38           HB2      SER  38   6.185  10.272  10.272
  303   2HB   SER  38           HB1      SER  38   6.555   8.600   8.600
  304    HG   SER  38           HG       SER  38   5.325   7.983   7.983
  305    H    GLU  39           HN       GLU  39   2.948  10.773  10.773
  306    HA   GLU  39           HA       GLU  39   4.760  12.840  12.840
  307   1HB   GLU  39           HB2      GLU  39   3.618  13.251  13.251
  308   2HB   GLU  39           HB1      GLU  39   2.472  14.038  14.038
  309   1HG   GLU  39           HG2      GLU  39   4.723  14.978  14.978
  310   2HG   GLU  39           HG1      GLU  39   5.331  14.705  14.705
  311    H    GLY  40           HN       GLY  40   2.676  10.742  10.742
  312   1HA   GLY  40           HA2      GLY  40   1.571  10.932  10.932
  313   2HA   GLY  40           HA1      GLY  40   1.157  12.598  12.598
  314    H    ASP  41           HN       ASP  41   0.389   9.219   9.219
  315    HA   ASP  41           HA       ASP  41  -1.869   9.926   9.926
  316   1HB   ASP  41           HB2      ASP  41  -0.349   7.704   7.704
  317   2HB   ASP  41           HB1      ASP  41  -1.674   7.210   7.210
  318    H    LEU  42           HN       LEU  42  -3.898   8.283   8.283
  319    HA   LEU  42           HA       LEU  42  -5.070   9.808   9.808
  320   1HB   LEU  42           HB2      LEU  42  -6.948   8.265   8.265
  321   2HB   LEU  42           HB1      LEU  42  -6.387   8.666   8.666
  322    HG   LEU  42           HG       LEU  42  -5.171   6.287   6.287
  323   1HD1  LEU  42          HD12      LEU  42  -7.671   6.162   6.162
  324   2HD1  LEU  42          HD11      LEU  42  -7.872   6.179   6.179
  325   3HD1  LEU  42          HD13      LEU  42  -7.012   4.849   4.849
  326   1HD2  LEU  42          HD23      LEU  42  -5.706   7.338   7.338
  327   2HD2  LEU  42          HD22      LEU  42  -4.283   6.503   6.503
  328   3HD2  LEU  42          HD21      LEU  42  -5.726   5.585   5.585
  329    H    LEU  43           HN       LEU  43  -6.260   8.050   8.050
  330    HA   LEU  43           HA       LEU  43  -4.289   6.187   6.187
  331   1HB   LEU  43           HB2      LEU  43  -4.090   7.426   7.426
  332   2HB   LEU  43           HB1      LEU  43  -3.356   8.284   8.284
  333    HG   LEU  43           HG       LEU  43  -6.135   8.998   8.998
  334   1HD1  LEU  43          HD11      LEU  43  -5.900   8.354   8.354
  335   2HD1  LEU  43          HD13      LEU  43  -4.520   9.442   9.442
  336   3HD1  LEU  43          HD12      LEU  43  -6.125  10.094  10.094
  337   1HD2  LEU  43          HD21      LEU  43  -3.549  10.168  10.168
  338   2HD2  LEU  43          HD23      LEU  43  -5.129  10.865  10.865
  339   3HD2  LEU  43          HD22      LEU  43  -4.398  11.109  11.109
  340    H    ALA  44           HN       ALA  44  -5.414   4.595   4.595
  341    HA   ALA  44           HA       ALA  44  -8.200   4.444   4.444
  342   1HB   ALA  44           HB1      ALA  44  -6.483   2.606   2.606
  343   2HB   ALA  44           HB3      ALA  44  -6.473   3.273   3.273
  344   3HB   ALA  44           HB2      ALA  44  -7.965   2.619   2.619
  345    H    GLU  45           HN       GLU  45  -9.210   6.356   6.356
  346    HA   GLU  45           HA       GLU  45  -8.436   7.587   7.587
  347   1HB   GLU  45           HB2      GLU  45  -9.898   8.376   8.376
  348   2HB   GLU  45           HB1      GLU  45 -11.008   8.475   8.475
  349   1HG   GLU  45           HG2      GLU  45  -8.241   9.547   9.547
  350   2HG   GLU  45           HG1      GLU  45  -9.380  10.497  10.497
  351    H    ILE  46           HN       ILE  46  -8.811   5.789   5.789
  352    HA   ILE  46           HA       ILE  46 -11.494   4.645   4.645
  353    HB   ILE  46           HB       ILE  46  -8.951   4.411   4.411
  354   1HG1  ILE  46          HG12      ILE  46  -8.923   2.168   2.168
  355   2HG1  ILE  46          HG11      ILE  46 -10.597   2.265   2.265
  356   1HG2  ILE  46          HG21      ILE  46 -11.712   3.344   3.344
  357   2HG2  ILE  46          HG23      ILE  46 -10.240   2.643   2.643
  358   3HG2  ILE  46          HG22      ILE  46 -10.666   4.316   4.316
  359   1HD1  ILE  46          HD11      ILE  46  -8.303   3.886   3.886
  360   2HD1  ILE  46          HD13      ILE  46  -9.009   2.457   2.457
  361   3HD1  ILE  46          HD12      ILE  46  -9.974   3.920   3.920
  362    H    GLU  47           HN       GLU  47 -12.867   4.937   4.937
  363    HA   GLU  47           HA       GLU  47 -12.270   7.099   7.099
  364   1HB   GLU  47           HB2      GLU  47 -13.132   8.179   8.179
  365   2HB   GLU  47           HB1      GLU  47 -14.696   7.492   7.492
  366   1HG   GLU  47           HG2      GLU  47 -13.485   8.786   8.786
  367   2HG   GLU  47           HG1      GLU  47 -13.591   9.908   9.908
  368    H    THR  48           HN       THR  48 -14.110   7.351   7.351
  369    HA   THR  48           HA       THR  48 -16.014   5.074   5.074
  370    HB   THR  48           HB       THR  48 -15.332   4.213   4.213
  371    HG1  THR  48           HG1      THR  48 -14.379   5.399   5.399
  372   1HG2  THR  48          HG23      THR  48 -13.555   4.171   4.171
  373   2HG2  THR  48          HG22      THR  48 -12.615   5.137   5.137
  374   3HG2  THR  48          HG21      THR  48 -13.160   3.522   3.522
  375    H    ASP  49           HN       ASP  49 -14.900   8.051   8.051
  376    HA   ASP  49           HA       ASP  49 -17.240   9.501   9.501
  377   1HB   ASP  49           HB2      ASP  49 -17.443   7.266   7.266
  378   2HB   ASP  49           HB1      ASP  49 -17.797   8.832   8.832
  379    H    LYS  50           HN       LYS  50 -14.442   8.509   8.509
  380    HA   LYS  50           HA       LYS  50 -14.078  11.339  11.339
  381   1HB   LYS  50           HB2      LYS  50 -14.499   9.044   9.044
  382   2HB   LYS  50           HB1      LYS  50 -12.906   9.747   9.747
  383   1HG   LYS  50           HG2      LYS  50 -15.501  11.316  11.316
  384   2HG   LYS  50           HG1      LYS  50 -14.669  10.798  10.798
  385   1HD   LYS  50           HD2      LYS  50 -12.660  12.073  12.073
  386   2HD   LYS  50           HD1      LYS  50 -13.542  12.635  12.635
  387   1HE   LYS  50           HE2      LYS  50 -15.068  13.064  13.064
  388   2HE   LYS  50           HE1      LYS  50 -13.499  13.866  13.866
  389   1HZ   LYS  50           HZ1      LYS  50 -15.427  14.100  14.100
  390   2HZ   LYS  50           HZ3      LYS  50 -15.235  15.250  15.250
  391   3HZ   LYS  50           HZ2      LYS  50 -13.956  14.935  14.935
  392    H    ALA  51           HN       ALA  51 -12.954   9.346   9.346
  393    HA   ALA  51           HA       ALA  51 -10.264  10.312  10.312
  394   1HB   ALA  51           HB2      ALA  51 -10.530   8.352   8.352
  395   2HB   ALA  51           HB1      ALA  51 -10.120   7.388   7.388
  396   3HB   ALA  51           HB3      ALA  51  -9.033   8.666   8.666
  397    H    THR  52           HN       THR  52  -8.979   9.267   9.267
  398    HA   THR  52           HA       THR  52 -10.410   7.457   7.457
  399    HB   THR  52           HB       THR  52 -11.519   9.250   9.250
  400    HG1  THR  52           HG1      THR  52 -10.572   9.490   9.490
  401   1HG2  THR  52          HG21      THR  52  -9.216  10.837  10.837
  402   2HG2  THR  52          HG23      THR  52 -10.205  11.528  11.528
  403   3HG2  THR  52          HG22      THR  52 -10.947  11.072  11.072
  404    H    ILE  53           HN       ILE  53  -8.812   6.149   6.149
  405    HA   ILE  53           HA       ILE  53  -6.019   7.021   7.021
  406    HB   ILE  53           HB       ILE  53  -6.788   4.503   4.503
  407   1HG1  ILE  53          HG12      ILE  53  -8.404   4.380   4.380
  408   2HG1  ILE  53          HG11      ILE  53  -7.030   3.422   3.422
  409   1HG2  ILE  53          HG23      ILE  53  -4.729   5.312   5.312
  410   2HG2  ILE  53          HG22      ILE  53  -4.902   3.670   3.670
  411   3HG2  ILE  53          HG21      ILE  53  -4.446   4.981   4.981
  412   1HD1  ILE  53          HD12      ILE  53  -6.485   6.066   6.066
  413   2HD1  ILE  53          HD11      ILE  53  -8.186   5.793   5.793
  414   3HD1  ILE  53          HD13      ILE  53  -6.953   4.713   4.713
  415    H    GLY  54           HN       GLY  54  -4.648   6.538   6.538
  416   1HA   GLY  54           HA2      GLY  54  -6.079   6.962   6.962
  417   2HA   GLY  54           HA1      GLY  54  -5.059   8.306   8.306
  418    H    PHE  55           HN       PHE  55  -5.001   5.815   5.815
  419    HA   PHE  55           HA       PHE  55  -2.318   4.771   4.771
  420   1HB   PHE  55           HB2      PHE  55  -4.477   3.731   3.731
  421   2HB   PHE  55           HB1      PHE  55  -3.412   4.220   4.220
  422    HD1  PHE  55           HD1      PHE  55  -0.833   3.919   3.919
  423    HD2  PHE  55           HD2      PHE  55  -4.151   1.334   1.334
  424    HE1  PHE  55           HE1      PHE  55   0.599   1.938   1.938
  425    HE2  PHE  55           HE2      PHE  55  -2.718  -0.646  -0.646
  426    HZ   PHE  55           HZ       PHE  55  -0.344  -0.344  -0.344
  427    H    GLU  56           HN       GLU  56  -1.941   7.402   7.402
  428    HA   GLU  56           HA       GLU  56  -1.650   8.755   8.755
  429   1HB   GLU  56           HB2      GLU  56   0.622   8.675   8.675
  430   2HB   GLU  56           HB1      GLU  56   0.068  10.037  10.037
  431   1HG   GLU  56           HG2      GLU  56  -2.209   9.454   9.454
  432   2HG   GLU  56           HG1      GLU  56  -0.989   8.998   8.998
  433    H    VAL  57           HN       VAL  57  -1.002   7.792   7.792
  434    HA   VAL  57           HA       VAL  57   1.288   5.913   5.913
  435    HB   VAL  57           HB       VAL  57  -0.103   6.794   6.794
  436   1HG1  VAL  57          HG11      VAL  57   1.914   5.216   5.216
  437   2HG1  VAL  57          HG13      VAL  57   0.819   4.053   4.053
  438   3HG1  VAL  57          HG12      VAL  57   0.512   4.627   4.627
  439   1HG2  VAL  57          HG23      VAL  57  -1.795   6.236   6.236
  440   2HG2  VAL  57          HG22      VAL  57  -1.928   5.305   5.305
  441   3HG2  VAL  57          HG21      VAL  57  -1.157   4.595   4.595
  442    H    GLN  58           HN       GLN  58   2.565   7.959   7.959
  443    HA   GLN  58           HA       GLN  58   3.173  10.177  10.177
  444   1HB   GLN  58           HB2      GLN  58   4.999   8.353   8.353
  445   2HB   GLN  58           HB1      GLN  58   5.594   9.829   9.829
  446   1HG   GLN  58           HG2      GLN  58   3.906  11.146  11.146
  447   2HG   GLN  58           HG1      GLN  58   3.324   9.670   9.670
  448   1HE2  GLN  58          HE22      GLN  58   5.986   9.520   9.520
  449   2HE2  GLN  58          HE21      GLN  58   4.627   8.731   8.731
  450    H    GLU  59           HN       GLU  59   3.464  10.271  10.271
  451    HA   GLU  59           HA       GLU  59   4.093   9.592   9.592
  452   1HB   GLU  59           HB2      GLU  59   6.704   8.845   8.845
  453   2HB   GLU  59           HB1      GLU  59   6.442   9.573   9.573
  454   1HG   GLU  59           HG2      GLU  59   5.590  11.629  11.629
  455   2HG   GLU  59           HG1      GLU  59   5.943  10.904  10.904
  456    H    GLU  60           HN       GLU  60   2.643   7.682   7.682
  457    HA   GLU  60           HA       GLU  60   3.842   5.302   5.302
  458   1HB   GLU  60           HB2      GLU  60   3.706   5.570   5.570
  459   2HB   GLU  60           HB1      GLU  60   3.075   4.053   4.053
  460   1HG   GLU  60           HG2      GLU  60   5.143   3.298   3.298
  461   2HG   GLU  60           HG1      GLU  60   5.572   4.807   4.807
  462    H    GLY  61           HN       GLY  61   2.040   3.356   3.356
  463   1HA   GLY  61           HA2      GLY  61  -0.337   2.962   2.962
  464   2HA   GLY  61           HA1      GLY  61  -0.652   4.593   4.593
  465    H    TYR  62           HN       TYR  62   0.971   1.658   1.658
  466    HA   TYR  62           HA       TYR  62  -0.053   2.271   2.271
  467   1HB   TYR  62           HB2      TYR  62   2.201   1.472   1.472
  468   2HB   TYR  62           HB1      TYR  62   1.812   0.158   0.158
  469    HD1  TYR  62           HD1      TYR  62   1.405   1.404   1.404
  470    HD2  TYR  62           HD2      TYR  62   0.817  -1.894  -1.894
  471    HE1  TYR  62           HE1      TYR  62   0.907  -0.076  -0.076
  472    HE2  TYR  62           HE2      TYR  62   0.319  -3.375  -3.375
  473    HH   TYR  62           HH       TYR  62  -0.618  -2.907  -2.907
  474    H    LEU  63           HN       LEU  63  -1.360   1.007   1.007
  475    HA   LEU  63           HA       LEU  63  -3.113  -0.465  -0.465
  476   1HB   LEU  63           HB2      LEU  63  -3.934   0.984   0.984
  477   2HB   LEU  63           HB1      LEU  63  -3.786  -0.552  -0.552
  478    HG   LEU  63           HG       LEU  63  -5.145  -0.541  -0.541
  479   1HD1  LEU  63          HD13      LEU  63  -5.958   1.232   1.232
  480   2HD1  LEU  63          HD12      LEU  63  -7.023  -0.161  -0.161
  481   3HD1  LEU  63          HD11      LEU  63  -6.928   0.669   0.669
  482   1HD2  LEU  63          HD23      LEU  63  -5.146  -2.136  -2.136
  483   2HD2  LEU  63          HD22      LEU  63  -5.051  -2.701  -2.701
  484   3HD2  LEU  63          HD21      LEU  63  -6.594  -2.163  -2.163
  485    H    ALA  64           HN       ALA  64  -1.267  -2.026  -2.026
  486    HA   ALA  64           HA       ALA  64  -0.879  -4.029  -4.029
  487   1HB   ALA  64           HB2      ALA  64   0.406  -3.302  -3.302
  488   2HB   ALA  64           HB1      ALA  64   0.287  -5.043  -5.043
  489   3HB   ALA  64           HB3      ALA  64   1.107  -4.034  -4.034
  490    H    LYS  65           HN       LYS  65  -1.837  -4.290  -4.290
  491    HA   LYS  65           HA       LYS  65  -3.638  -6.527  -6.527
  492   1HB   LYS  65           HB2      LYS  65  -1.603  -6.915  -6.915
  493   2HB   LYS  65           HB1      LYS  65  -2.663  -6.183  -6.183
  494   1HG   LYS  65           HG2      LYS  65  -4.320  -7.871  -7.871
  495   2HG   LYS  65           HG1      LYS  65  -3.572  -8.462  -8.462
  496   1HD   LYS  65           HD2      LYS  65  -2.789 -10.036 -10.036
  497   2HD   LYS  65           HD1      LYS  65  -1.488  -8.848  -8.848
  498   1HE   LYS  65           HE2      LYS  65  -2.068  -8.145  -8.145
  499   2HE   LYS  65           HE1      LYS  65  -3.791  -8.397  -8.397
  500   1HZ   LYS  65           HZ3      LYS  65  -1.809 -10.575 -10.575
  501   2HZ   LYS  65           HZ2      LYS  65  -2.828  -9.978  -9.978
  502   3HZ   LYS  65           HZ1      LYS  65  -3.491 -10.750 -10.750
  503    H    ILE  66           HN       ILE  66  -4.680  -4.018  -4.018
  504    HA   ILE  66           HA       ILE  66  -6.053  -3.230  -3.230
  505    HB   ILE  66           HB       ILE  66  -5.487  -2.070  -2.070
  506   1HG1  ILE  66          HG12      ILE  66  -6.486  -0.001  -0.001
  507   2HG1  ILE  66          HG11      ILE  66  -6.737  -1.042  -1.042
  508   1HG2  ILE  66          HG23      ILE  66  -8.438  -2.114  -2.114
  509   2HG2  ILE  66          HG22      ILE  66  -7.670  -0.980  -0.980
  510   3HG2  ILE  66          HG21      ILE  66  -7.640  -2.708  -2.708
  511   1HD1  ILE  66          HD12      ILE  66  -4.116  -1.586  -1.586
  512   2HD1  ILE  66          HD11      ILE  66  -4.283   0.167   0.167
  513   3HD1  ILE  66          HD13      ILE  66  -4.595  -0.658  -0.658
  514    H    LEU  67           HN       LEU  67  -7.473  -4.817  -4.817
  515    HA   LEU  67           HA       LEU  67  -9.436  -5.808  -5.808
  516   1HB   LEU  67           HB2      LEU  67  -7.690  -7.436  -7.436
  517   2HB   LEU  67           HB1      LEU  67  -8.791  -7.364  -7.364
  518    HG   LEU  67           HG       LEU  67 -10.428  -7.697  -7.697
  519   1HD1  LEU  67          HD12      LEU  67  -7.982  -8.509  -8.509
  520   2HD1  LEU  67          HD11      LEU  67  -8.540  -9.993  -9.993
  521   3HD1  LEU  67          HD13      LEU  67  -9.475  -9.277  -9.277
  522   1HD2  LEU  67          HD22      LEU  67  -9.474  -9.680  -9.680
  523   2HD2  LEU  67          HD21      LEU  67 -10.854  -8.592  -8.592
  524   3HD2  LEU  67          HD23      LEU  67 -10.890  -9.897  -9.897
  525    H    VAL  68           HN       VAL  68  -8.969  -4.450  -4.450
  526    HA   VAL  68           HA       VAL  68 -11.913  -4.632  -4.632
  527    HB   VAL  68           HB       VAL  68  -9.587  -4.223  -4.223
  528   1HG1  VAL  68          HG12      VAL  68 -12.409  -3.423  -3.423
  529   2HG1  VAL  68          HG11      VAL  68 -11.843  -4.433  -4.433
  530   3HG1  VAL  68          HG13      VAL  68 -11.018  -2.920  -2.920
  531   1HG2  VAL  68          HG22      VAL  68 -11.370  -6.433  -6.433
  532   2HG2  VAL  68          HG21      VAL  68  -9.789  -6.486  -6.486
  533   3HG2  VAL  68          HG23      VAL  68 -11.240  -6.203  -6.203
  534    HA   PRO  69           HA       PRO  69 -11.396  -0.288  -0.288
  535   1HB   PRO  69           HB2      PRO  69 -13.989  -0.021  -0.021
  536   2HB   PRO  69           HB1      PRO  69 -12.671  -0.648  -0.648
  537   1HG   PRO  69           HG2      PRO  69 -14.898  -2.134  -2.134
  538   2HG   PRO  69           HG1      PRO  69 -13.993  -2.540  -2.540
  539   1HD   PRO  69           HD2      PRO  69 -13.594  -3.694  -3.694
  540   2HD   PRO  69           HD1      PRO  69 -12.470  -3.796  -3.796
  541    H    GLU  70           HN       GLU  70 -12.462   1.667   1.667
  542    HA   GLU  70           HA       GLU  70 -12.944   1.722   1.722
  543   1HB   GLU  70           HB2      GLU  70 -14.134   3.839   3.839
  544   2HB   GLU  70           HB1      GLU  70 -12.720   3.742   3.742
  545   1HG   GLU  70           HG2      GLU  70 -14.038   4.022   4.022
  546   2HG   GLU  70           HG1      GLU  70 -14.891   2.533   2.533
  547    H    GLY  71           HN       GLY  71 -14.583   1.082   1.082
  548   1HA   GLY  71           HA2      GLY  71 -17.165   1.068   1.068
  549   2HA   GLY  71           HA1      GLY  71 -17.063   0.048   0.048
  550    H    THR  72           HN       THR  72 -14.608  -1.305  -1.305
  551    HA   THR  72           HA       THR  72 -15.883  -3.452  -3.452
  552    HB   THR  72           HB       THR  72 -12.982  -2.831  -2.831
  553    HG1  THR  72           HG1      THR  72 -14.406  -3.462  -3.462
  554   1HG2  THR  72          HG21      THR  72 -14.228  -5.177  -5.177
  555   2HG2  THR  72          HG23      THR  72 -12.638  -5.260  -5.260
  556   3HG2  THR  72          HG22      THR  72 -12.926  -4.130  -4.130
  557    H    ARG  73           HN       ARG  73 -16.026  -3.798  -3.798
  558    HA   ARG  73           HA       ARG  73 -14.648  -1.832  -1.832
  559   1HB   ARG  73           HB2      ARG  73 -17.074  -1.603  -1.603
  560   2HB   ARG  73           HB1      ARG  73 -17.254  -3.337  -3.337
  561   1HG   ARG  73           HG2      ARG  73 -15.411  -2.404  -2.404
  562   2HG   ARG  73           HG1      ARG  73 -16.759  -1.265  -1.265
  563   1HD   ARG  73           HD2      ARG  73 -18.354  -3.079  -3.079
  564   2HD   ARG  73           HD1      ARG  73 -17.066  -4.276  -4.276
  565    HE   ARG  73           HE       ARG  73 -16.184  -2.813  -2.813
  566   1HH1  ARG  73          HH11      ARG  73 -18.853  -4.798  -4.798
  567   2HH1  ARG  73          HH12      ARG  73 -19.573  -4.645  -4.645
  568   1HH2  ARG  73          HH21      ARG  73 -17.298  -2.272  -2.272
  569   2HH2  ARG  73          HH22      ARG  73 -18.693  -3.214  -3.214
  570    H    ASP  74           HN       ASP  74 -12.869  -2.834  -2.834
  571    HA   ASP  74           HA       ASP  74 -13.201  -5.596  -5.596
  572   1HB   ASP  74           HB2      ASP  74 -10.875  -4.312  -4.312
  573   2HB   ASP  74           HB1      ASP  74 -10.659  -5.729  -5.729
  574    H    VAL  75           HN       VAL  75 -11.629  -2.445  -2.445
  575    HA   VAL  75           HA       VAL  75 -11.957  -2.119  -2.119
  576    HB   VAL  75           HB       VAL  75  -9.360  -2.660  -2.660
  577   1HG1  VAL  75          HG13      VAL  75 -11.908  -3.696  -3.696
  578   2HG1  VAL  75          HG12      VAL  75 -10.863  -5.088  -5.088
  579   3HG1  VAL  75          HG11      VAL  75 -10.413  -3.874  -3.874
  580   1HG2  VAL  75          HG23      VAL  75  -9.608  -3.852  -3.852
  581   2HG2  VAL  75          HG22      VAL  75  -8.445  -4.342  -4.342
  582   3HG2  VAL  75          HG21      VAL  75  -9.982  -5.193  -5.193
  583    HA   PRO  76           HA       PRO  76  -9.891   1.605   1.605
  584   1HB   PRO  76           HB2      PRO  76  -8.918   2.395   2.395
  585   2HB   PRO  76           HB1      PRO  76 -10.633   2.449   2.449
  586   1HG   PRO  76           HG2      PRO  76  -9.219   0.558   0.558
  587   2HG   PRO  76           HG1      PRO  76 -10.927   1.028   1.028
  588   1HD   PRO  76           HD2      PRO  76  -9.829  -1.382  -1.382
  589   2HD   PRO  76           HD1      PRO  76 -11.486  -0.793  -0.793
  590    H    LEU  77           HN       LEU  77  -8.090  -1.077  -1.077
  591    HA   LEU  77           HA       LEU  77  -5.590   0.337   0.337
  592   1HB   LEU  77           HB2      LEU  77  -5.350   0.270   0.270
  593   2HB   LEU  77           HB1      LEU  77  -5.908  -1.401  -1.401
  594    HG   LEU  77           HG       LEU  77  -3.711  -1.349  -1.349
  595   1HD1  LEU  77          HD12      LEU  77  -3.269   0.216   0.216
  596   2HD1  LEU  77          HD11      LEU  77  -1.953  -0.541  -0.541
  597   3HD1  LEU  77          HD13      LEU  77  -2.921   0.725   0.725
  598   1HD2  LEU  77          HD22      LEU  77  -4.654  -2.763  -2.763
  599   2HD2  LEU  77          HD21      LEU  77  -3.384  -3.251  -3.251
  600   3HD2  LEU  77          HD23      LEU  77  -2.977  -2.320  -2.320
  601    H    GLY  78           HN       GLY  78  -5.656  -2.918  -2.918
  602   1HA   GLY  78           HA2      GLY  78  -4.299  -4.214  -4.214
  603   2HA   GLY  78           HA1      GLY  78  -5.594  -5.005  -5.005
  604    H    THR  79           HN       THR  79  -7.701  -3.273  -3.273
  605    HA   THR  79           HA       THR  79  -8.917  -4.593  -4.593
  606    HB   THR  79           HB       THR  79  -9.869  -2.536  -2.536
  607    HG1  THR  79           HG1      THR  79 -10.006  -1.437  -1.437
  608   1HG2  THR  79          HG22      THR  79  -7.324  -1.401  -1.401
  609   2HG2  THR  79          HG21      THR  79  -8.761  -0.382  -0.382
  610   3HG2  THR  79          HG23      THR  79  -8.197  -1.010  -1.010
  611    HA   PRO  80           HA       PRO  80  -5.539  -4.406  -4.406
  612   1HB   PRO  80           HB2      PRO  80  -5.865  -7.021  -7.021
  613   2HB   PRO  80           HB1      PRO  80  -4.838  -6.527  -6.527
  614   1HG   PRO  80           HG2      PRO  80  -7.476  -7.879  -7.879
  615   2HG   PRO  80           HG1      PRO  80  -6.199  -7.866  -7.866
  616   1HD   PRO  80           HD2      PRO  80  -8.602  -6.331  -6.331
  617   2HD   PRO  80           HD1      PRO  80  -7.221  -6.165  -6.165
  618    H    LEU  81           HN       LEU  81  -6.092  -3.621  -3.621
  619    HA   LEU  81           HA       LEU  81  -8.489  -4.746  -4.746
  620   1HB   LEU  81           HB2      LEU  81  -9.252  -2.563  -2.563
  621   2HB   LEU  81           HB1      LEU  81  -9.033  -2.548  -2.548
  622    HG   LEU  81           HG       LEU  81  -6.772  -1.651  -1.651
  623   1HD1  LEU  81          HD11      LEU  81  -9.358  -0.498  -0.498
  624   2HD1  LEU  81          HD13      LEU  81  -8.345   0.584   0.584
  625   3HD1  LEU  81          HD12      LEU  81  -7.865   0.145   0.145
  626   1HD2  LEU  81          HD22      LEU  81  -7.002  -1.920  -1.920
  627   2HD2  LEU  81          HD21      LEU  81  -5.984  -0.692  -0.692
  628   3HD2  LEU  81          HD23      LEU  81  -7.601  -0.271  -0.271
  629    H    CYS  82           HN       CYS  82  -5.430  -2.869  -2.869
  630    HA   CYS  82           HA       CYS  82  -5.156  -4.374  -4.374
  631   1HB   CYS  82           HB2      CYS  82  -5.264  -1.356  -1.356
  632   2HB   CYS  82           HB1      CYS  82  -5.034  -2.375  -2.375
  633    HG   CYS  82           HG       CYS  82  -7.494  -3.000  -3.000
  634    H    ILE  83           HN       ILE  83  -3.027  -4.277  -4.277
  635    HA   ILE  83           HA       ILE  83  -0.974  -3.119  -3.119
  636    HB   ILE  83           HB       ILE  83  -0.996  -5.649  -5.649
  637   1HG1  ILE  83          HG12      ILE  83   1.639  -5.229  -5.229
  638   2HG1  ILE  83          HG11      ILE  83   1.203  -3.723  -3.723
  639   1HG2  ILE  83          HG21      ILE  83  -1.291  -4.937  -4.937
  640   2HG2  ILE  83          HG23      ILE  83   0.466  -5.060  -5.060
  641   3HG2  ILE  83          HG22      ILE  83  -0.530  -6.451  -6.451
  642   1HD1  ILE  83          HD13      ILE  83   0.158  -5.919  -5.919
  643   2HD1  ILE  83          HD12      ILE  83   1.867  -6.214  -6.214
  644   3HD1  ILE  83          HD11      ILE  83   1.364  -4.726  -4.726
  645    H    ILE  84           HN       ILE  84  -0.234  -1.265  -1.265
  646    HA   ILE  84           HA       ILE  84  -0.298  -0.578  -0.578
  647    HB   ILE  84           HB       ILE  84   0.654   1.055   1.055
  648   1HG1  ILE  84          HG12      ILE  84  -1.742   2.119   2.119
  649   2HG1  ILE  84          HG11      ILE  84  -2.029   0.396   0.396
  650   1HG2  ILE  84          HG22      ILE  84   0.315   1.542   1.542
  651   2HG2  ILE  84          HG21      ILE  84  -0.169   2.842   2.842
  652   3HG2  ILE  84          HG23      ILE  84   1.486   2.231   2.231
  653   1HD1  ILE  84          HD11      ILE  84  -0.850   1.484   1.484
  654   2HD1  ILE  84          HD13      ILE  84  -2.588   1.299   1.299
  655   3HD1  ILE  84          HD12      ILE  84  -1.536  -0.116  -0.116
  656    H    VAL  85           HN       VAL  85   1.693   0.405   0.405
  657    HA   VAL  85           HA       VAL  85   4.289  -0.087  -0.087
  658    HB   VAL  85           HB       VAL  85   3.926  -2.399  -2.399
  659   1HG1  VAL  85          HG12      VAL  85   2.104  -1.453  -1.453
  660   2HG1  VAL  85          HG11      VAL  85   3.318  -2.331  -2.331
  661   3HG1  VAL  85          HG13      VAL  85   2.451  -3.141  -3.141
  662   1HG2  VAL  85          HG21      VAL  85   6.056  -1.323  -1.323
  663   2HG2  VAL  85          HG23      VAL  85   5.622  -2.905  -2.905
  664   3HG2  VAL  85          HG22      VAL  85   5.282  -1.445  -1.445
  665    H    GLU  86           HN       GLU  86   2.331   0.482   0.482
  666    HA   GLU  86           HA       GLU  86   2.635   2.167   2.167
  667   1HB   GLU  86           HB2      GLU  86   4.010   3.369   3.369
  668   2HB   GLU  86           HB1      GLU  86   5.427   2.607   2.607
  669   1HG   GLU  86           HG2      GLU  86   4.441   3.548   3.548
  670   2HG   GLU  86           HG1      GLU  86   3.576   4.656   4.656
  671    H    LYS  87           HN       LYS  87   3.399  -0.706  -0.706
  672    HA   LYS  87           HA       LYS  87   5.754  -1.339  -1.339
  673   1HB   LYS  87           HB2      LYS  87   3.495  -2.712  -2.712
  674   2HB   LYS  87           HB1      LYS  87   3.261  -2.356  -2.356
  675   1HG   LYS  87           HG2      LYS  87   5.310  -3.430  -3.430
  676   2HG   LYS  87           HG1      LYS  87   5.832  -3.525  -3.525
  677   1HD   LYS  87           HD2      LYS  87   3.795  -4.983  -4.983
  678   2HD   LYS  87           HD1      LYS  87   3.574  -5.050  -5.050
  679   1HE   LYS  87           HE2      LYS  87   6.090  -5.769  -5.769
  680   2HE   LYS  87           HE1      LYS  87   5.816  -6.169  -6.169
  681   1HZ   LYS  87           HZ2      LYS  87   3.651  -7.202  -7.202
  682   2HZ   LYS  87           HZ1      LYS  87   4.946  -7.540  -7.540
  683   3HZ   LYS  87           HZ3      LYS  87   4.994  -8.079  -8.079
  684    H    GLU  88           HN       GLU  88   6.429  -1.354  -1.354
  685    HA   GLU  88           HA       GLU  88   5.336   0.952   0.952
  686   1HB   GLU  88           HB2      GLU  88   7.870   0.489   0.489
  687   2HB   GLU  88           HB1      GLU  88   7.739  -0.648  -0.648
  688   1HG   GLU  88           HG2      GLU  88   8.249   1.213   1.213
  689   2HG   GLU  88           HG1      GLU  88   6.510   1.486   1.486
  690    H    ALA  89           HN       ALA  89   5.085  -2.426  -2.426
  691    HA   ALA  89           HA       ALA  89   3.853  -3.855  -3.855
  692   1HB   ALA  89           HB1      ALA  89   2.819  -1.421  -1.421
  693   2HB   ALA  89           HB3      ALA  89   3.555  -1.849  -1.849
  694   3HB   ALA  89           HB2      ALA  89   2.347  -2.910  -2.910
  695    H    ASP  90           HN       ASP  90   4.632  -5.310  -5.310
  696    HA   ASP  90           HA       ASP  90   6.253  -4.639  -4.639
  697   1HB   ASP  90           HB2      ASP  90   8.450  -5.448  -5.448
  698   2HB   ASP  90           HB1      ASP  90   7.923  -4.021  -4.021
  699    H    ILE  91           HN       ILE  91   5.229  -6.254  -6.254
  700    HA   ILE  91           HA       ILE  91   5.457  -9.029  -9.029
  701    HB   ILE  91           HB       ILE  91   3.123  -8.379  -8.379
  702   1HG1  ILE  91          HG12      ILE  91   3.513  -9.982  -9.982
  703   2HG1  ILE  91          HG11      ILE  91   4.095 -10.652 -10.652
  704   1HG2  ILE  91          HG21      ILE  91   3.511  -6.535  -6.535
  705   2HG2  ILE  91          HG23      ILE  91   3.728  -7.746  -7.746
  706   3HG2  ILE  91          HG22      ILE  91   2.168  -7.582  -7.582
  707   1HD1  ILE  91          HD11      ILE  91   1.593  -9.706  -9.706
  708   2HD1  ILE  91          HD13      ILE  91   1.340 -10.304 -10.304
  709   3HD1  ILE  91          HD12      ILE  91   1.970 -11.383 -11.383
  710    H    SER  92           HN       SER  92   5.942 -10.705 -10.705
  711    HA   SER  92           HA       SER  92   6.367 -10.467 -10.467
  712   1HB   SER  92           HB2      SER  92   8.486  -9.116  -9.116
  713   2HB   SER  92           HB1      SER  92   9.033 -10.131 -10.131
  714    HG   SER  92           HG       SER  92   8.197  -8.764  -8.764
  715    H    ALA  93           HN       ALA  93   6.107 -12.678 -12.678
  716    HA   ALA  93           HA       ALA  93   7.097 -14.621 -14.621
  717   1HB   ALA  93           HB2      ALA  93   6.243 -14.597 -14.597
  718   2HB   ALA  93           HB1      ALA  93   7.232 -15.971 -15.971
  719   3HB   ALA  93           HB3      ALA  93   5.714 -15.633 -15.633
  720    H    PHE  94           HN       PHE  94   8.588 -14.128 -14.128
  721    HA   PHE  94           HA       PHE  94  10.833 -14.315 -14.315
  722   1HB   PHE  94           HB2      PHE  94  10.726 -12.628 -12.628
  723   2HB   PHE  94           HB1      PHE  94  12.211 -13.580 -13.580
  724    HD1  PHE  94           HD2      PHE  94  10.215 -11.164 -11.164
  725    HD2  PHE  94           HD1      PHE  94  13.951 -13.257 -13.257
  726    HE1  PHE  94           HE2      PHE  94  11.196  -9.698  -9.698
  727    HE2  PHE  94           HE1      PHE  94  14.931 -11.792 -11.792
  728    HZ   PHE  94           HZ       PHE  94  13.554 -10.013 -10.013
  729    H    ALA  95           HN       ALA  95  10.426 -16.715 -16.715
  730    HA   ALA  95           HA       ALA  95  11.434 -18.132 -18.132
  731   1HB   ALA  95           HB1      ALA  95  10.608 -19.110 -19.110
  732   2HB   ALA  95           HB3      ALA  95  11.053 -20.164 -20.164
  733   3HB   ALA  95           HB2      ALA  95   9.623 -19.138 -19.138
  734    H    ASP  96           HN       ASP  96  12.772 -16.797 -16.797
  735    HA   ASP  96           HA       ASP  96  15.184 -18.535 -18.535
  736   1HB   ASP  96           HB2      ASP  96  14.427 -16.528 -16.528
  737   2HB   ASP  96           HB1      ASP  96  15.812 -17.620 -17.620
  738    H    TYR  97           HN       TYR  97  17.312 -17.411 -17.411
  739    HA   TYR  97           HA       TYR  97  17.296 -14.569 -14.569
  740   1HB   TYR  97           HB2      TYR  97  18.548 -16.733 -16.733
  741   2HB   TYR  97           HB1      TYR  97  18.619 -14.997 -14.997
  742    HD1  TYR  97           HD1      TYR  97  16.315 -13.754 -13.754
  743    HD2  TYR  97           HD2      TYR  97  16.804 -17.994 -17.994
  744    HE1  TYR  97           HE1      TYR  97  14.140 -13.870 -13.870
  745    HE2  TYR  97           HE2      TYR  97  14.629 -18.110 -18.110
  746    HH   TYR  97           HH       TYR  97  13.212 -16.180 -16.180
  747    H    ARG  98           HN       ARG  98  18.375 -14.422 -14.422
  748    HA   ARG  98           HA       ARG  98  20.611 -15.779 -15.779
  749   1HB   ARG  98           HB2      ARG  98  19.363 -13.323 -13.323
  750   2HB   ARG  98           HB1      ARG  98  21.068 -12.945 -12.945
  751   1HG   ARG  98           HG2      ARG  98  20.639 -15.400 -15.400
  752   2HG   ARG  98           HG1      ARG  98  20.003 -13.953 -13.953
  753   1HD   ARG  98           HD2      ARG  98  22.167 -12.838 -12.838
  754   2HD   ARG  98           HD1      ARG  98  22.815 -14.226 -14.226
  755    HE   ARG  98           HE       ARG  98  23.325 -15.047 -15.047
  756   1HH1  ARG  98          HH11      ARG  98  21.240 -12.541 -12.541
  757   2HH1  ARG  98          HH12      ARG  98  20.455 -13.275 -13.275
  758   1HH2  ARG  98          HH21      ARG  98  21.914 -16.381 -16.381
  759   2HH2  ARG  98          HH22      ARG  98  20.837 -15.449 -15.449
  760    HA   PRO  99           HA       PRO  99  23.494 -13.104 -13.104
  761   1HB   PRO  99           HB2      PRO  99  22.321 -11.389 -11.389
  762   2HB   PRO  99           HB1      PRO  99  22.735 -10.931 -10.931
  763   1HG   PRO  99           HG2      PRO  99  20.057 -11.511 -11.511
  764   2HG   PRO  99           HG1      PRO  99  20.477 -10.494 -10.494
  765   1HD   PRO  99           HD2      PRO  99  19.417 -13.117 -13.117
  766   2HD   PRO  99           HD1      PRO  99  20.132 -12.214 -12.214
  767    H    THR 100           HN       THR 100  23.673 -12.705 -12.705
  768    HA   THR 100           HA       THR 100  22.410 -15.138 -15.138
  769    HB   THR 100           HB       THR 100  24.776 -14.656 -14.656
  770    HG1  THR 100           HG1      THR 100  25.262 -14.577 -14.577
  771   1HG2  THR 100          HG23      THR 100  23.761 -16.649 -16.649
  772   2HG2  THR 100          HG22      THR 100  25.483 -16.696 -16.696
  773   3HG2  THR 100          HG21      THR 100  24.292 -16.882 -16.882
  774    H    GLU 101           HN       GLU 101  24.459 -12.584 -12.584
  775    HA   GLU 101           HA       GLU 101  22.122 -11.794 -11.794
  776   1HB   GLU 101           HB2      GLU 101  24.457 -13.060 -13.060
  777   2HB   GLU 101           HB1      GLU 101  24.702 -11.359 -11.359
  778   1HG   GLU 101           HG2      GLU 101  22.048 -11.818 -11.818
  779   2HG   GLU 101           HG1      GLU 101  22.873 -13.295 -13.295
  780    H    VAL 102           HN       VAL 102  23.055  -9.614  -9.614
  781    HA   VAL 102           HA       VAL 102  23.466  -7.722  -7.722
  782    HB   VAL 102           HB       VAL 102  23.275  -6.963  -6.963
  783   1HG1  VAL 102          HG13      VAL 102  23.751  -5.275  -5.275
  784   2HG1  VAL 102          HG12      VAL 102  22.178  -5.665  -5.665
  785   3HG1  VAL 102          HG11      VAL 102  22.278  -4.953  -4.953
  786   1HG2  VAL 102          HG23      VAL 102  21.203  -8.202  -8.202
  787   2HG2  VAL 102          HG22      VAL 102  21.355  -8.230  -8.230
  788   3HG2  VAL 102          HG21      VAL 102  20.701  -6.804  -6.804
  789    H    THR 103           HN       THR 103  25.559  -9.602  -9.602
  790    HA   THR 103           HA       THR 103  27.540  -7.539  -7.539
  791    HB   THR 103           HB       THR 103  27.973 -10.530 -10.530
  792    HG1  THR 103           HG1      THR 103  27.316 -10.402 -10.402
  793   1HG2  THR 103          HG22      THR 103  29.295  -8.142  -8.142
  794   2HG2  THR 103          HG21      THR 103  29.384  -9.690  -9.690
  795   3HG2  THR 103          HG23      THR 103  30.023  -9.538  -9.538
  796    H    ASP 104           HN       ASP 104  28.151  -6.596  -6.596
  797    HA   ASP 104           HA       ASP 104  28.709  -8.100  -8.100
  798   1HB   ASP 104           HB2      ASP 104  29.215  -5.312  -5.312
  799   2HB   ASP 104           HB1      ASP 104  30.151  -5.891  -5.891
  800    H    LEU 105           HN       LEU 105  30.185  -9.767  -9.767
  801    HA   LEU 105           HA       LEU 105  32.543  -9.576  -9.576
  802   1HB   LEU 105           HB2      LEU 105  31.445 -11.704 -11.704
  803   2HB   LEU 105           HB1      LEU 105  32.200 -11.358 -11.358
  804    HG   LEU 105           HG       LEU 105  34.419 -11.374 -11.374
  805   1HD1  LEU 105          HD12      LEU 105  32.757 -11.673 -11.673
  806   2HD1  LEU 105          HD11      LEU 105  34.391 -12.336 -12.336
  807   3HD1  LEU 105          HD13      LEU 105  34.133 -10.609 -10.609
  808   1HD2  LEU 105          HD23      LEU 105  32.618 -13.629 -13.629
  809   2HD2  LEU 105          HD22      LEU 105  34.348 -13.574 -13.574
  810   3HD2  LEU 105          HD21      LEU 105  33.777 -13.875 -13.875
  811    H    LYS 106           HN       LYS 106  34.283  -8.304  -8.304
  812    HA   LYS 106           HA       LYS 106  34.733  -6.735  -6.735
  813   1HB   LYS 106           HB2      LYS 106  36.269  -7.561  -7.561
  814   2HB   LYS 106           HB1      LYS 106  37.302  -7.436  -7.436
  815   1HG   LYS 106           HG2      LYS 106  37.201  -5.187  -5.187
  816   2HG   LYS 106           HG1      LYS 106  35.438  -5.220  -5.220
  817   1HD   LYS 106           HD2      LYS 106  35.655  -4.411  -4.411
  818   2HD   LYS 106           HD1      LYS 106  36.138  -6.050  -6.050
  819   1HE   LYS 106           HE2      LYS 106  38.108  -3.987  -3.987
  820   2HE   LYS 106           HE1      LYS 106  37.748  -4.200  -4.200
  821   1HZ   LYS 106           HZ1      LYS 106  38.241  -6.664  -6.664
  822   2HZ   LYS 106           HZ3      LYS 106  39.039  -6.075  -6.075
  823   3HZ   LYS 106           HZ2      LYS 106  39.543  -5.585  -5.585