*HEADER    COLLAGEN FACIT XIV                      15-FEB-99   1B9P              
*TITLE     NMR STRUCTURE OF HEPARIN BINDING SITE OF NON COLLAGENOUS              
*TITLE    2 DOMAIN I (NC1) OF COLLAGEN FACIT XIV                                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: COLLAGEN ALPHA 1;                                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: FRAGMENT 84-116 OF NC1 (HEPARIN BINDING SITE);             
*COMPND   5 SYNONYM: ALPHA 1 TYPE XIV COLLAGEN;                                  
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PROTEIN WAS CHEMICALLY SYNTHESIZED. THE           
*SOURCE   4 SEQUENCE OF THIS PROTEIN IS NATURALLY FOUND                          
*SOURCE   5 EXTRACELLULARLY IN THE EMBRYO OF GALLUS GALLUS (CHICKEN).            
*KEYWDS    COLLAGEN FACIT XIV, HEPARIN-BINDING SITE, NC1                         
*EXPDTA    NMR                                                                   
*AUTHOR    R.MONTSERRET, G.DELEAGE, F.PENIN                                      
*REVDAT   2   18-JUN-99 1B9P    1       JRNL                                     
*REVDAT   1   25-FEB-99 1B9P    0                                                

##RCSB000486
REMARK =====================================================
REMARK ==        Analyse des structures Xplor               ==
REMARK ==           IBCP-CNRS UPR 412, Lyon                 ==
REMARK ==        by C. Geourjon (geourjon@ibcp.fr)          ==
REMARK ==           G. Deleage (deleage@ibcp.fr)            ==
REMARK == Please in your publication site :                 ==
REMARK == ANTHEPROT :                                       == 
REMARK == A 3D module coupled to protein sequence analysis ==
REMARK == methods., Geourjon C. & Deleage G.               ==
REMARK == J. Mol. Graph., 1993, 13, 209-212                ==
REMARK =======================================================
! PEPNC1TFE_20 roland(20/1/98)                                                  
!contraintes intra de noesy a 20C et mix 50ms.                                  
! PEPNC1TFE_21 ajoute qq contraintes entre                                      
!chaines laterales tj a partir de noesy 50ms.                                   
!                                                                                                         
! Cys 1                                                                                              
assign (resid    1 and  name HA   )(resid    1 and  name HB#  ) 2.8 1.0 1.3
!                                                                                                          
!1      HN      2       HN      1                                                                    
assign (resid    1 and  name HA   )(resid    2 and  name HN   ) 3.9 2.1 0.4
assign (resid    1 and  name HB#  )(resid    4 and  name HN   ) 5.0 3.2 1.5
!                                                                                                          
! Ala 2                                                                                              
assign (resid    2 and  name HN   )(resid    2 and  name HA   ) 2.8 1.0 0.3
assign (resid    2 and  name HN   )(resid    2 and  name HB#  ) 2.8 1.0 1.3
assign (resid    2 and  name HA   )(resid    2 and  name HB#  ) 2.8 1.0 1.3
!                                                                                                          
assign (resid    2 and  name HN   )(resid    3 and  name HN   ) 5.0 3.2 0.5
assign (resid    2 and  name HA   )(resid    3 and  name HN   ) 2.8 1.0 0.3
assign (resid    2 and  name HB#  )(resid    3 and  name HN   ) 3.9 2.1 1.4
assign (resid    2 and  name HB#  )(resid    4 and  name HN   ) 5.0 3.2 1.5
assign (resid    2 and  name HA   )(resid    5 and  name HD1# ) 5.0 3.2 1.5
!                                                                                                          
assign (resid    2 and  name HA   )(resid    5 and  name HD2# ) 3.9 2.1 1.4
!                                                                                                          
! VAL 3                                                                                              
assign (resid    3 and  name HN   )(resid    3 and  name HA   ) 2.8 1.0 0.3
assign (resid    3 and  name HN   )(resid    3 and  name HB   ) 3.9 2.1 0.4
assign (resid    3 and  name HN   )(resid    3 and  name HG1# ) 3.9 2.1 1.4
assign (resid    3 and  name HN   )(resid    3 and  name HG2# ) 3.9 2.1 1.4
assign (resid    3 and  name HA   )(resid    3 and  name HB   ) 3.9 2.1 0.4
assign (resid    3 and  name HA   )(resid    3 and  name HG1# ) 3.9 2.1 1.4
assign (resid    3 and  name HA   )(resid    3 and  name HG2# ) 3.9 2.1 1.4
assign (resid    3 and  name HB   )(resid    3 and  name HG1# ) 2.8 1.0 1.3
assign (resid    3 and  name HB   )(resid    3 and  name HG2# ) 2.8 1.0 1.3
!                                                                                                          
assign (resid    3 and  name HN   )(resid    4 and  name HN   ) 2.8 1.0 0.3
assign (resid    3 and  name HA   )(resid    4 and  name HN   ) 3.9 2.1 0.4
assign (resid    3 and  name HB   )(resid    4 and  name HN   ) 3.9 2.1 0.4
assign (resid    3 and  name HG1# )(resid    4 and  name HN   ) 3.9 2.1 1.4
assign (resid    3 and  name HG2# )(resid    4 and  name HN   ) 2.8 1.0 1.3
assign (resid    3 and  name HA   )(resid    6 and  name HN   ) 5.0 3.2 0.5
assign (resid    3 and  name HA   )(resid    7 and  name HN   ) 5.0 3.2 0.5
assign (resid    3 and  name HG2# )(resid    4 and  name HA   ) 3.9 2.1 1.4
!                                                                                                          
!GLU 4                                                                                                
assign (resid    4 and  name HN   )(resid    4 and  name HG#  ) 3.9 2.1 1.4
assign (resid    4 and  name HA   )(resid    4 and  name HB#  ) 3.9 2.1 1.4
assign (resid    4 and  name HA   )(resid    4 and  name HG#  ) 3.9 2.1 1.4
assign (resid    4 and  name HB#  )(resid    4 and  name HG#  ) 2.8 1.0 2.3
!                                                                                                          
assign (resid    4 and  name HN   )(resid    5 and  name HN   ) 5.0 3.2 0.5
assign (resid    4 and  name HA   )(resid    5 and  name HN   ) 2.8 1.0 0.3
assign (resid    4 and  name HG#  )(resid    5 and  name HN   ) 3.9 2.1 1.4
assign (resid    4 and  name HB2  )(resid    5 and  name HN   ) 3.9 2.1 0.4
assign (resid    4 and  name HA   )(resid    7 and  name HN   ) 5.0 3.2 0.5
assign (resid    4 and  name HG#  )(resid    6 and  name HN   ) 5.0 3.2 1.5
!                                                                                                          
! LEU 5                                                                                              
assign (resid    5 and  name HN   )(resid    5 and  name HA   ) 2.8 1.0 0.3
assign (resid    5 and  name HN   )(resid    5 and  name HB1  ) 3.9 2.1 0.4
assign (resid    5 and  name HN   )(resid    5 and  name HB2  ) 3.9 2.1 0.4
assign (resid    5 and  name HN   )(resid    5 and  name HG   ) 5.0 3.2 0.5
assign (resid    5 and  name HA   )(resid    5 and  name HB1  ) 5.0 3.2 0.5
assign (resid    5 and  name HA   )(resid    5 and  name HB2  ) 2.8 1.0 0.3
assign (resid    5 and  name HA   )(resid    5 and  name HG   ) 5.0 3.2 0.5
assign (resid    5 and  name HA   )(resid    5 and  name HD2# ) 3.9 2.1 1.4
!                                                                                                          
assign (resid    5 and  name HA   )(resid    6 and  name HN   ) 3.9 2.1 0.4
assign (resid    5 and  name HN   )(resid    6 and  name HN   ) 5.0 3.2 0.5
assign (resid    5 and  name HD2# )(resid    6 and  name HN   ) 5.0 3.2 1.5
!                                                                                                          
!5      HA      5       HD1#    1                                                                  
!                                                                                                          
! ARG 6                                                                                              
assign (resid    6 and  name HN   )(resid    6 and  name HA   ) 2.8 1.0 0.3
assign (resid    6 and  name HN   )(resid    6 and  name HB1  ) 2.8 1.0 0.3
assign (resid    6 and  name HN   )(resid    6 and  name HB2  ) 3.9 2.1 0.4
assign (resid    6 and  name HN   )(resid    6 and  name HG1  ) 5.0 3.2 0.5
assign (resid    6 and  name HN   )(resid    6 and  name HG2  ) 5.0 3.2 0.5
assign (resid    6 and  name HA   )(resid    6 and  name HB1  ) 3.9 2.1 0.4
assign (resid    6 and  name HA   )(resid    6 and  name HB2  ) 3.9 2.1 0.4
assign (resid    6 and  name HA   )(resid    6 and  name HG1  ) 5.0 3.2 0.5
assign (resid    6 and  name HA   )(resid    6 and  name HG2  ) 3.9 2.1 0.4
assign (resid    6 and  name HA   )(resid    6 and  name HD#  ) 5.0 3.2 1.5
assign (resid    6 and  name HB1  )(resid    6 and  name HD#  ) 5.0 3.2 1.5
assign (resid    6 and  name HB2  )(resid    6 and  name HD#  ) 5.0 3.2 1.5
assign (resid    6 and  name HG1  )(resid    6 and  name HD#  ) 3.9 2.1 1.4
assign (resid    6 and  name HG2  )(resid    6 and  name HD#  ) 3.9 2.1 1.4
!                                                                                                          
assign (resid    6 and  name HA   )(resid    7 and  name HN   ) 3.9 2.1 0.4
assign (resid    6 and  name HB1  )(resid    7 and  name HN   ) 5.0 3.2 0.5
assign (resid    6 and  name HB2  )(resid    7 and  name HN   ) 5.0 3.2 0.5
!                                                                                                          
! SER 7                                                                                              
assign (resid    7 and  name HN   )(resid    7 and  name HA   ) 3.9 2.1 0.4
assign (resid    7 and  name HN   )(resid    7 and  name HB#  ) 2.8 1.0 1.3
assign (resid    7 and  name HA   )(resid    7 and  name HB#  ) 2.8 1.0 1.3
!                                                                                                          
assign (resid    7 and  name HA   )(resid    8 and  name HD1  ) 2.8 1.0 0.3
assign (resid    7 and  name HA   )(resid    8 and  name HD2  ) 2.8 1.0 0.3
assign (resid    7 and  name HB#  )(resid    8 and  name HD1  ) 5.0 3.2 1.5
assign (resid    7 and  name HB#  )(resid    8 and  name HD2  ) 5.0 3.2 1.5
assign (resid    7 and  name HA   )(resid    8 and  name HB2  ) 5.0 3.2 0.5
!                                                                                                          
! PRO 8                                                                                              
assign (resid    8 and  name HA   )(resid    8 and  name HB1  ) 2.8 1.0 0.3
assign (resid    8 and  name HA   )(resid    8 and  name HB2  ) 2.8 1.0 0.3
assign (resid    8 and  name HA   )(resid    8 and  name HG#  ) 2.8 1.0 1.3
assign (resid    8 and  name HA   )(resid    8 and  name HD1  ) 5.0 3.2 0.5
assign (resid    8 and  name HA   )(resid    8 and  name HD2  ) 5.0 3.2 0.5
assign (resid    8 and  name HB1  )(resid    8 and  name HB2  ) 2.8 1.0 0.3
assign (resid    8 and  name HB1  )(resid    8 and  name HD1  ) 5.0 3.2 0.5
assign (resid    8 and  name HB1  )(resid    8 and  name HD2  ) 5.0 3.2 0.5
assign (resid    8 and  name HB2  )(resid    8 and  name HD2  ) 5.0 3.2 0.5
assign (resid    8 and  name HG#  )(resid    8 and  name HD1  ) 3.9 2.1 1.4
assign (resid    8 and  name HG#  )(resid    8 and  name HD2  ) 3.9 2.1 1.4
!                                                                                                          
assign (resid    8 and  name HA   )(resid    9 and  name HN   ) 3.9 2.1 0.4
assign (resid    8 and  name HB2  )(resid    9 and  name HN   ) 5.0 3.2 0.5
assign (resid    8 and  name HA   )(resid   11 and  name HB1  ) 5.0 3.2 0.5
assign (resid    8 and  name HA   )(resid   11 and  name HB2  ) 5.0 3.2 0.5
!                                                                                                          
! GLY 9                                                                                              
assign (resid    9 and  name HN   )(resid    9 and  name HA1  ) 5.0 3.2 0.5
assign (resid    9 and  name HN   )(resid    9 and  name HA2  ) 5.0 3.2 0.5
!                                                                                                          
assign (resid    9 and  name HN   )(resid   10 and  name HN   ) 5.0 3.2 0.5
assign (resid    9 and  name HA1  )(resid   10 and  name HN   ) 5.0 3.2 0.5
assign (resid    9 and  name HA2  )(resid   10 and  name HN   ) 3.9 2.1 0.4
!                                                                                                          
! ILE 10                                                                                             
assign (resid   10 and  name HN   )(resid   10 and  name HA   ) 2.8 1.0 0.3
assign (resid   10 and  name HN   )(resid   10 and  name HG11 ) 3.9 2.1 0.4
assign (resid   10 and  name HN   )(resid   10 and  name HG12 ) 3.9 2.1 0.4
assign (resid   10 and  name HN   )(resid   10 and  name HG2# ) 3.9 2.1 1.4
assign (resid   10 and  name HA   )(resid   10 and  name HG12 ) 3.9 2.1 0.4
assign (resid   10 and  name HA   )(resid   10 and  name HG2# ) 2.8 1.0 1.3
assign (resid   10 and  name HB   )(resid   10 and  name HG2# ) 2.8 1.0 1.3
assign (resid   10 and  name HB   )(resid   10 and  name HD#  ) 2.8 1.0 1.3
assign (resid   10 and  name HG11 )(resid   10 and  name HG12 ) 2.8 1.0 0.3
assign (resid   10 and  name HG11 )(resid   10 and  name HG2# ) 5.0 3.2 1.5
assign (resid   10 and  name HG11 )(resid   10 and  name HD#  ) 2.8 1.0 1.3
assign (resid   10 and  name HG12 )(resid   10 and  name HD#  ) 3.9 2.1 1.4
!                                                                                                          
assign (resid   10 and  name HN   )(resid   11 and  name HN   ) 2.8 1.0 0.3
assign (resid   10 and  name HG2# )(resid   11 and  name HN   ) 2.8 1.0 1.3
assign (resid   10 and  name HG2# )(resid   11 and  name HA   ) 3.9 2.1 1.4
assign (resid   10 and  name HD#  )(resid   11 and  name HA   ) 5.0 3.2 1.5
assign (resid   10 and  name HA   )(resid   13 and  name HN   ) 3.9 2.1 0.4
assign (resid   10 and  name HA   )(resid   13 and  name HD*  ) 5.0 3.2 2.5
assign (resid   10 and  name HG2# )(resid   13 and  name HD*  ) 5.0 3.2 3.5
assign (resid   10 and  name HA   )(resid   13 and  name HB#  ) 2.8 1.0 1.3
assign (resid   10 and  name HG12 )(resid   13 and  name HD*  ) 5.0 3.2 2.5
assign (resid   10 and  name HA   )(resid   14 and  name HN   ) 5.0 3.2 0.5
assign (resid   10 and  name HG2# )(resid   14 and  name HN   ) 5.0 3.2 1.5
!                                                                                                          
assign (resid   10 and  name HG2# )(resid   11 and  name HB2  ) 5.0 3.2 1.5
assign (resid   10 and  name HD#  )(resid   11 and  name HB2  ) 5.0 3.2 1.5
assign (resid   10 and  name HG2# )(resid   13 and  name HB#  ) 5.0 3.2 2.5
assign (resid   10 and  name HG2# )(resid   14 and  name HD#  ) 3.9 2.1 2.4
!                                                                                                          
assign (resid   10 and  name HD#  )(resid   13 and  name HD*  ) 5.0 3.2 3.5
assign (resid   10 and  name HG2# )(resid   13 and  name HE*  ) 5.0 3.2 3.5
assign (resid   10 and  name HG12 )(resid   13 and  name HZ   ) 5.0 3.2 0.5
!                                                                                                          
! SER 11                                                                                             
assign (resid   11 and  name HN   )(resid   11 and  name HA   ) 2.8 1.0 0.3
assign (resid   11 and  name HN   )(resid   11 and  name HB1  ) 3.9 2.1 0.4
assign (resid   11 and  name HN   )(resid   11 and  name HB2  ) 3.9 2.1 0.4
assign (resid   11 and  name HA   )(resid   11 and  name HB1  ) 3.9 2.1 0.4
assign (resid   11 and  name HA   )(resid   11 and  name HB2  ) 3.9 2.1 0.4
!                                                                                                          
assign (resid   11 and  name HN   )(resid   12 and  name HN   ) 2.8 1.0 0.3
assign (resid   11 and  name HA   )(resid   12 and  name HN   ) 5.0 3.2 0.5
assign (resid   11 and  name HB2  )(resid   12 and  name HN   ) 5.0 3.2 0.5
assign (resid   11 and  name HA   )(resid   14 and  name HN   ) 2.8 1.0 0.3
assign (resid   11 and  name HA   )(resid   14 and  name HB#  ) 3.9 2.1 1.4
assign (resid   11 and  name HA   )(resid   14 and  name HD#  ) 5.0 3.2 1.5
assign (resid   11 and  name HA   )(resid   15 and  name HN   ) 5.0 3.2 0.5
!                                                                                                          
assign (resid   11 and  name HB1  )(resid   14 and  name HD#  ) 3.9 2.1 1.4
assign (resid   11 and  name HB2  )(resid   14 and  name HD#  ) 5.0 3.2 1.5
!                                                                                                          
! ARG 12                                                                                             
assign (resid   12 and  name HN   )(resid   12 and  name HA   ) 2.8 1.0 0.3
!                                                                                                          
assign (resid   12 and  name HA   )(resid   15 and  name HN   ) 3.9 2.1 0.4
!                                                                                                          
! PHE 13                                                                                             
assign (resid   13 and  name HN   )(resid   13 and  name HA   ) 2.8 1.0 0.3
assign (resid   13 and  name HA   )(resid   13 and  name HD*  ) 3.9 2.1 2.4
assign (resid   13 and  name HB#  )(resid   13 and  name HD*  ) 2.8 1.0 3.3
assign (resid   13 and  name HN   )(resid   13 and  name HD*  ) 5.0 3.2 2.5
assign (resid   13 and  name HD*  )(resid   13 and  name HE*  ) 2.8 1.0 4.3
!                                                                                                          
assign (resid   13 and  name HN   )(resid   14 and  name HN   ) 2.8 1.0 0.3
assign (resid   13 and  name HA   )(resid   14 and  name HN   ) 5.0 3.2 0.5
assign (resid   13 and  name HB#  )(resid   14 and  name HN   ) 2.8 1.0 1.3
assign (resid   13 and  name HD*  )(resid   14 and  name HA   ) 5.0 3.2 2.5
assign (resid   13 and  name HD*  )(resid   14 and  name HB#  ) 5.0 3.2 3.5
assign (resid   13 and  name HN   )(resid   15 and  name HN   ) 5.0 3.2 0.5
assign (resid   13 and  name HA   )(resid   15 and  name HN   ) 5.0 3.2 0.5
assign (resid   13 and  name HA   )(resid   16 and  name HB1  ) 3.9 2.1 0.4
assign (resid   13 and  name HA   )(resid   16 and  name HB2  ) 3.9 2.1 0.4
!13     HE*     17      HD#     1                                                                
assign (resid   13 and  name HD*  )(resid   17 and  name HD#  ) 5.0 3.2 3.5
!13     HZ      17      HD#     1                                                                 
!                                                                               
assign (resid   13 and  name HE*  )(resid   17 and  name HD#  ) 3.9 2.1 3.4
assign (resid   13 and  name HZ   )(resid   17 and  name HD#  ) 3.9 2.1 1.4
assign (resid   13 and  name HE*  )(resid   17 and  name HG2# ) 5.0 3.2 3.5
assign (resid   13 and  name HZ   )(resid   17 and  name HG2# ) 5.0 3.2 1.5
!                                                                                                                 
!                                                                                                          
! ARG 14                                                                                             
assign (resid   14 and  name HN   )(resid   14 and  name HA   ) 2.8 1.0 0.3
assign (resid   14 and  name HN   )(resid   14 and  name HB#  ) 2.8 1.0 1.3
assign (resid   14 and  name HN   )(resid   14 and  name HG#  ) 5.0 3.2 1.5
assign (resid   14 and  name HA   )(resid   14 and  name HB#  ) 2.8 1.0 1.3
assign (resid   14 and  name HA   )(resid   14 and  name HG#  ) 3.9 2.1 1.4
assign (resid   14 and  name HA   )(resid   14 and  name HD#  ) 5.0 3.2 1.5
!                                                                                                          
assign (resid   14 and  name HN   )(resid   15 and  name HN   ) 2.8 1.0 0.3
assign (resid   14 and  name HA   )(resid   15 and  name HN   ) 5.0 3.2 0.5
assign (resid   14 and  name HN   )(resid   16 and  name HN   ) 5.0 3.2 0.5
assign (resid   14 and  name HA   )(resid   16 and  name HN   ) 5.0 3.2 0.5
assign (resid   14 and  name HA   )(resid   17 and  name HN   ) 3.9 2.1 0.4
assign (resid   14 and  name HA   )(resid   17 and  name HB   ) 2.8 1.0 0.3
assign (resid   14 and  name HA   )(resid   17 and  name HG11 ) 5.0 3.2 0.5
assign (resid   14 and  name HA   )(resid   17 and  name HG12 ) 5.0 3.2 0.5
assign (resid   14 and  name HA   )(resid   17 and  name HG2# ) 3.9 2.1 1.4
assign (resid   14 and  name HA   )(resid   17 and  name HD#  ) 3.9 2.1 1.4
assign (resid   14 and  name HA   )(resid   18 and  name HN   ) 5.0 3.2 0.5
!                                                                                                          
assign (resid   14 and  name HB#  )(resid   17 and  name HD#  ) 5.0 3.2 2.5
!                                                                                                          
! ARG 15                                                                                             
assign (resid   15 and  name HN   )(resid   15 and  name HA   ) 2.8 1.0 0.3
assign (resid   15 and  name HN   )(resid   15 and  name HB2  ) 3.9 2.1 0.4
assign (resid   15 and  name HN   )(resid   15 and  name HG#  ) 5.0 3.2 1.5
assign (resid   15 and  name HN   )(resid   15 and  name HD#  ) 5.0 3.2 1.5
!                                                                                                          
assign (resid   15 and  name HN   )(resid   16 and  name HN   ) 2.8 1.0 0.3
assign (resid   15 and  name HN   )(resid   17 and  name HN   ) 5.0 3.2 0.5
assign (resid   15 and  name HA   )(resid   17 and  name HN   ) 5.0 3.2 0.5
assign (resid   15 and  name HA   )(resid   18 and  name HN   ) 3.9 2.1 0.4
assign (resid   15 and  name HA   )(resid   18 and  name HB#  ) 2.8 1.0 1.3
!                                                                                                          
! LYS 16                                                                                             
assign (resid   16 and  name HN   )(resid   17 and  name HN   ) 2.8 1.0 0.3
assign (resid   16 and  name HA   )(resid   17 and  name HN   ) 5.0 3.2 0.5
assign (resid   16 and  name HN   )(resid   18 and  name HN   ) 5.0 3.2 0.5
assign (resid   16 and  name HA   )(resid   19 and  name HN   ) 2.8 1.0 0.3
assign (resid   16 and  name HA   )(resid   20 and  name HN   ) 5.0 3.2 0.5
!                                                                                                          
! ILE 17                                                                                             
assign (resid   17 and  name HN   )(resid   17 and  name HA   ) 2.8 1.0 0.3
assign (resid   17 and  name HN   )(resid   17 and  name HG11 ) 3.9 2.1 0.4
assign (resid   17 and  name HN   )(resid   17 and  name HG12 ) 3.9 2.1 0.4
assign (resid   17 and  name HN   )(resid   17 and  name HG2# ) 5.0 3.2 1.5
assign (resid   17 and  name HN   )(resid   17 and  name HD#  ) 5.0 3.2 1.5
assign (resid   17 and  name HA   )(resid   17 and  name HB   ) 3.9 2.1 0.4
assign (resid   17 and  name HA   )(resid   17 and  name HG11 ) 3.9 2.1 0.4
assign (resid   17 and  name HA   )(resid   17 and  name HG12 ) 3.9 2.1 0.4
assign (resid   17 and  name HA   )(resid   17 and  name HG2# ) 2.8 1.0 1.3
assign (resid   17 and  name HA   )(resid   17 and  name HD#  ) 3.9 2.1 1.4
assign (resid   17 and  name HB   )(resid   17 and  name HG11 ) 3.9 2.1 0.4
assign (resid   17 and  name HB   )(resid   17 and  name HG12 ) 5.0 3.2 0.5
assign (resid   17 and  name HB   )(resid   17 and  name HG2# ) 2.8 1.0 1.3
assign (resid   17 and  name HB   )(resid   17 and  name HD#  ) 5.0 3.2 1.5
assign (resid   17 and  name HG11 )(resid   17 and  name HG12 ) 2.8 1.0 0.3
assign (resid   17 and  name HG11 )(resid   17 and  name HG2# ) 5.0 3.2 1.5
assign (resid   17 and  name HG11 )(resid   17 and  name HD#  ) 2.8 1.0 1.3
assign (resid   17 and  name HG12 )(resid   17 and  name HG2# ) 3.9 2.1 1.4
assign (resid   17 and  name HG12 )(resid   17 and  name HD#  ) 3.9 2.1 1.4
assign (resid   17 and  name HG2# )(resid   17 and  name HD#  ) 2.8 1.0 2.3
!                                                                                                          
assign (resid   17 and  name HN   )(resid   18 and  name HN   ) 2.8 1.0 0.3
assign (resid   17 and  name HA   )(resid   18 and  name HN   ) 5.0 3.2 0.5
assign (resid   17 and  name HB   )(resid   18 and  name HN   ) 3.9 2.1 0.4
assign (resid   17 and  name HG2# )(resid   18 and  name HN   ) 5.0 3.2 1.5
assign (resid   17 and  name HG2# )(resid   18 and  name HA   ) 5.0 3.2 1.5
assign (resid   17 and  name HN   )(resid   19 and  name HN   ) 5.0 3.2 0.5
assign (resid   17 and  name HA   )(resid   20 and  name HN   ) 3.9 2.1 0.4
assign (resid   17 and  name HA   )(resid   20 and  name HB#  ) 2.8 1.0 1.3
assign (resid   17 and  name HA   )(resid   21 and  name HN   ) 5.0 3.2 0.5
!                                                                                                          
! ALA 18                                                                                             
assign (resid   18 and  name HN   )(resid   18 and  name HA   ) 2.8 1.0 0.3
assign (resid   18 and  name HN   )(resid   18 and  name HB#  ) 2.8 1.0 1.3
assign (resid   18 and  name HA   )(resid   18 and  name HB#  ) 2.8 1.0 1.3
!                                                                                                          
assign (resid   18 and  name HN   )(resid   19 and  name HN   ) 2.8 1.0 0.3
assign (resid   18 and  name HB#  )(resid   19 and  name HN   ) 2.8 1.0 1.3
assign (resid   18 and  name HA   )(resid   20 and  name HN   ) 5.0 3.2 0.5
assign (resid   18 and  name HA   )(resid   21 and  name HN   ) 2.8 1.0 0.3
!                                                                                                          
assign (resid   18 and  name HB#  )(resid   22 and  name HD#  ) 5.0 3.2 2.5
!                                                                                                          
! LYS 19                                                                                             
assign (resid   19 and  name HN   )(resid   19 and  name HA   ) 2.8 1.0 0.3
assign (resid   19 and  name HN   )(resid   19 and  name HB#  ) 2.8 1.0 1.3
assign (resid   19 and  name HN   )(resid   19 and  name HG#  ) 5.0 3.2 1.5
assign (resid   19 and  name HN   )(resid   19 and  name HD1  ) 5.0 3.2 0.5
assign (resid   19 and  name HN   )(resid   19 and  name HD2  ) 5.0 3.2 0.5
assign (resid   19 and  name HA   )(resid   19 and  name HD1  ) 5.0 3.2 0.5
assign (resid   19 and  name HA   )(resid   19 and  name HD2  ) 5.0 3.2 0.5
assign (resid   19 and  name HA   )(resid   19 and  name HG#  ) 3.9 2.1 1.4
!                                                                                                          
assign (resid   19 and  name HN   )(resid   20 and  name HN   ) 2.8 1.0 0.3
assign (resid   19 and  name HA   )(resid   20 and  name HN   ) 5.0 3.2 0.5
assign (resid   19 and  name HN   )(resid   21 and  name HN   ) 5.0 3.2 0.5
assign (resid   19 and  name HA   )(resid   22 and  name HN   ) 3.9 2.1 0.4
assign (resid   19 and  name HA   )(resid   22 and  name HB   ) 2.8 1.0 0.3
assign (resid   19 and  name HA   )(resid   22 and  name HG2# ) 5.0 3.2 1.5
assign (resid   19 and  name HA   )(resid   22 and  name HD#  ) 3.9 2.1 1.4
!                                                                                                          
! ARG 20                                                                                             
assign (resid   20 and  name HN   )(resid   20 and  name HA   ) 2.8 1.0 0.3
assign (resid   20 and  name HN   )(resid   20 and  name HB#  ) 2.8 1.0 1.3
assign (resid   20 and  name HN   )(resid   20 and  name HG1  ) 5.0 3.2 0.5
assign (resid   20 and  name HN   )(resid   20 and  name HG2  ) 5.0 3.2 0.5
!                                                                                                          
assign (resid   20 and  name HN   )(resid   21 and  name HN   ) 2.8 1.0 0.3
assign (resid   20 and  name HA   )(resid   21 and  name HN   ) 5.0 3.2 0.5
assign (resid   20 and  name HB#  )(resid   21 and  name HN   ) 2.8 1.0 1.3
assign (resid   20 and  name HN   )(resid   22 and  name HN   ) 5.0 3.2 0.5
assign (resid   20 and  name HA   )(resid   23 and  name HG#  ) 5.0 3.2 1.5
assign (resid   20 and  name HA   )(resid   24 and  name HN   ) 5.0 3.2 0.5
!                                                                                                          
! SER 21                                                                                             
assign (resid   21 and  name HN   )(resid   21 and  name HB1  ) 3.9 2.1 0.4
assign (resid   21 and  name HN   )(resid   21 and  name HB2  ) 5.0 3.2 0.5
assign (resid   21 and  name HA   )(resid   21 and  name HB2  ) 2.8 1.0 0.3
assign (resid   21 and  name HB1  )(resid   21 and  name HB2  ) 2.8 1.0 0.3
!                                                                                                          
assign (resid   21 and  name HN   )(resid   22 and  name HN   ) 2.8 1.0 0.3
assign (resid   21 and  name HA   )(resid   22 and  name HN   ) 3.9 2.1 0.4
assign (resid   21 and  name HB1  )(resid   22 and  name HN   ) 5.0 3.2 0.5
assign (resid   21 and  name HB2  )(resid   22 and  name HN   ) 5.0 3.2 0.5
assign (resid   21 and  name HN   )(resid   23 and  name HN   ) 5.0 3.2 0.5
assign (resid   21 and  name HA   )(resid   24 and  name HN   ) 5.0 3.2 0.5
assign (resid   21 and  name HA   )(resid   24 and  name HB   ) 5.0 3.2 0.5
assign (resid   21 and  name HA   )(resid   24 and  name HG2# ) 5.0 3.2 1.5
assign (resid   21 and  name HA   )(resid   25 and  name HN   ) 5.0 3.2 0.5
!                                                                                                          
! ILE 22                                                                                             
assign (resid   22 and  name HN   )(resid   22 and  name HA   ) 3.9 2.1 0.4
assign (resid   22 and  name HN   )(resid   22 and  name HG11 ) 3.9 2.1 0.4
assign (resid   22 and  name HN   )(resid   22 and  name HG12 ) 5.0 3.2 0.5
assign (resid   22 and  name HN   )(resid   22 and  name HG2# ) 5.0 3.2 1.5
assign (resid   22 and  name HN   )(resid   22 and  name HD#  ) 5.0 3.2 1.5
assign (resid   22 and  name HA   )(resid   22 and  name HG11 ) 3.9 2.1 0.4
assign (resid   22 and  name HA   )(resid   22 and  name HG12 ) 3.9 2.1 0.4
assign (resid   22 and  name HA   )(resid   22 and  name HG2# ) 2.8 1.0 1.3
assign (resid   22 and  name HA   )(resid   22 and  name HD#  ) 5.0 3.2 1.5
assign (resid   22 and  name HB   )(resid   22 and  name HG12 ) 5.0 3.2 0.5
assign (resid   22 and  name HB   )(resid   22 and  name HG2# ) 2.8 1.0 1.3
assign (resid   22 and  name HB   )(resid   22 and  name HD#  ) 3.9 2.1 1.4
assign (resid   22 and  name HG11 )(resid   22 and  name HG12 ) 2.8 1.0 0.3
assign (resid   22 and  name HG11 )(resid   22 and  name HD#  ) 3.9 2.1 1.4
assign (resid   22 and  name HG12 )(resid   22 and  name HD#  ) 3.9 2.1 1.4
!                                                                                                          
assign (resid   22 and  name HN   )(resid   23 and  name HN   ) 2.8 1.0 0.3
assign (resid   22 and  name HA   )(resid   23 and  name HN   ) 3.9 2.1 0.4
assign (resid   22 and  name HN   )(resid   24 and  name HN   ) 5.0 3.2 0.5
assign (resid   22 and  name HA   )(resid   25 and  name HN   ) 5.0 3.2 0.5
assign (resid   22 and  name HA   )(resid   25 and  name HB1  ) 2.8 1.0 0.3
assign (resid   22 and  name HA   )(resid   25 and  name HB2  ) 2.8 1.0 0.3
assign (resid   22 and  name HA   )(resid   25 and  name HG   ) 5.0 3.2 0.5
assign (resid   22 and  name HA   )(resid   25 and  name HD1# ) 5.0 3.2 1.5
assign (resid   22 and  name HA   )(resid   26 and  name HN   ) 5.0 3.2 0.5
!                                                                                                          
!22     HA      25      HD2#    1                                                                
assign (resid   22 and  name HG2# )(resid   26 and  name HG1  ) 5.0 3.2 1.5
assign (resid   22 and  name HG2# )(resid   26 and  name HG2  ) 5.0 3.2 1.5
!                                                                                                          
! LYS 23                                                                                             
assign (resid   23 and  name HN   )(resid   23 and  name HG#  ) 3.9 2.1 1.4
assign (resid   23 and  name HA   )(resid   23 and  name HB1  ) 3.9 2.1 0.4
assign (resid   23 and  name HA   )(resid   23 and  name HB2  ) 2.8 1.0 0.3
assign (resid   23 and  name HA   )(resid   23 and  name HG#  ) 3.9 2.1 1.4
assign (resid   23 and  name HA   )(resid   23 and  name HD#  ) 3.9 2.1 1.4
!                                                                                                          
assign (resid   23 and  name HN   )(resid   24 and  name HN   ) 2.8 1.0 0.3
assign (resid   23 and  name HB1  )(resid   24 and  name HN   ) 3.9 2.1 0.4
assign (resid   23 and  name HB2  )(resid   24 and  name HN   ) 3.9 2.1 0.4
assign (resid   23 and  name HA   )(resid   26 and  name HN   ) 5.0 3.2 0.5
assign (resid   23 and  name HA   )(resid   26 and  name HB1  ) 3.9 2.1 0.4
assign (resid   23 and  name HA   )(resid   26 and  name HB2  ) 3.9 2.1 0.4
assign (resid   23 and  name HA   )(resid   26 and  name HG1  ) 5.0 3.2 0.5
assign (resid   23 and  name HA   )(resid   26 and  name HG2  ) 5.0 3.2 0.5
assign (resid   23 and  name HA   )(resid   27 and  name HN   ) 5.0 3.2 0.5
!                                                                                                          
! THR 24                                                                                             
assign (resid   24 and  name HN   )(resid   24 and  name HA   ) 3.9 2.1 0.4
assign (resid   24 and  name HN   )(resid   24 and  name HB   ) 3.9 2.1 0.4
assign (resid   24 and  name HN   )(resid   24 and  name HG2# ) 5.0 3.2 1.5
assign (resid   24 and  name HA   )(resid   24 and  name HB   ) 3.9 2.1 0.4
assign (resid   24 and  name HA   )(resid   24 and  name HG2# ) 2.8 1.0 1.3
assign (resid   24 and  name HB   )(resid   24 and  name HG2# ) 2.8 1.0 1.3
!                                                                                                          
assign (resid   24 and  name HA   )(resid   25 and  name HN   ) 3.9 2.1 0.4
assign (resid   24 and  name HB   )(resid   25 and  name HN   ) 3.9 2.1 0.4
assign (resid   24 and  name HG2# )(resid   25 and  name HN   ) 3.9 2.1 1.4
assign (resid   24 and  name HN   )(resid   26 and  name HN   ) 5.0 3.2 0.5
assign (resid   24 and  name HA   )(resid   27 and  name HN   ) 5.0 3.2 0.5
assign (resid   24 and  name HA   )(resid   27 and  name HB1  ) 5.0 3.2 0.5
assign (resid   24 and  name HA   )(resid   27 and  name HB2  ) 5.0 3.2 0.5
!                                                                                                          
assign (resid   24 and  name HG2# )(resid   28 and  name HE#  ) 5.0 3.2 2.5
!                                                                                                          
! LEU 25                                                                                             
assign (resid   25 and  name HN   )(resid   25 and  name HA   ) 2.8 1.0 0.3
assign (resid   25 and  name HN   )(resid   25 and  name HB1  ) 3.9 2.1 0.4
assign (resid   25 and  name HN   )(resid   25 and  name HB2  ) 3.9 2.1 0.4
assign (resid   25 and  name HN   )(resid   25 and  name HG   ) 3.9 2.1 0.4
assign (resid   25 and  name HA   )(resid   25 and  name HB1  ) 2.8 1.0 0.3
assign (resid   25 and  name HA   )(resid   25 and  name HB2  ) 3.9 2.1 0.4
assign (resid   25 and  name HA   )(resid   25 and  name HG   ) 3.9 2.1 0.4
assign (resid   25 and  name HA   )(resid   25 and  name HD2# ) 5.0 3.2 1.5
assign (resid   25 and  name HB1  )(resid   25 and  name HD1# ) 3.9 2.1 1.4
assign (resid   25 and  name HB1  )(resid   25 and  name HD2# ) 3.9 2.1 1.4
assign (resid   25 and  name HB2  )(resid   25 and  name HD1# ) 2.8 1.0 1.3
assign (resid   25 and  name HB2  )(resid   25 and  name HD2# ) 2.8 1.0 1.3
assign (resid   25 and  name HG   )(resid   25 and  name HD1# ) 2.8 1.0 1.3
assign (resid   25 and  name HG   )(resid   25 and  name HD2# ) 2.8 1.0 1.3
!                                                                                                          
assign (resid   25 and  name HN   )(resid   26 and  name HN   ) 2.8 1.0 0.3
assign (resid   25 and  name HA   )(resid   26 and  name HN   ) 5.0 3.2 0.5
assign (resid   25 and  name HB1  )(resid   26 and  name HN   ) 3.9 2.1 0.4
assign (resid   25 and  name HB2  )(resid   26 and  name HN   ) 5.0 3.2 0.5
assign (resid   25 and  name HN   )(resid   27 and  name HN   ) 5.0 3.2 0.5
!                                                                                                          
! GLU 26                                                                                             
assign (resid   26 and  name HN   )(resid   26 and  name HA   ) 2.8 1.0 0.3
assign (resid   26 and  name HN   )(resid   26 and  name HB1  ) 3.9 2.1 0.4
assign (resid   26 and  name HN   )(resid   26 and  name HB2  ) 3.9 2.1 0.4
assign (resid   26 and  name HN   )(resid   26 and  name HG1  ) 5.0 3.2 0.5
assign (resid   26 and  name HN   )(resid   26 and  name HG2  ) 5.0 3.2 0.5
assign (resid   26 and  name HA   )(resid   26 and  name HB1  ) 3.9 2.1 0.4
assign (resid   26 and  name HA   )(resid   26 and  name HB2  ) 3.9 2.1 0.4
assign (resid   26 and  name HA   )(resid   26 and  name HG1  ) 5.0 3.2 0.5
assign (resid   26 and  name HA   )(resid   26 and  name HG2  ) 5.0 3.2 0.5
assign (resid   26 and  name HB1  )(resid   26 and  name HB2  ) 2.8 1.0 0.3
assign (resid   26 and  name HB2  )(resid   26 and  name HG1  ) 5.0 3.2 0.5
assign (resid   26 and  name HG1  )(resid   26 and  name HG2  ) 2.8 1.0 0.3
!                                                                                                          
assign (resid   26 and  name HN   )(resid   27 and  name HN   ) 3.9 2.1 0.4
assign (resid   26 and  name HA   )(resid   27 and  name HN   ) 3.9 2.1 0.4
assign (resid   26 and  name HB1  )(resid   27 and  name HN   ) 3.9 2.1 0.4
assign (resid   26 and  name HB2  )(resid   27 and  name HN   ) 5.0 3.2 0.5
assign (resid   26 and  name HN   )(resid   28 and  name HN   ) 5.0 3.2 0.5
assign (resid   26 and  name HA   )(resid   28 and  name HN   ) 5.0 3.2 0.5
assign (resid   26 and  name HA   )(resid   29 and  name HN   ) 5.0 3.2 0.5
assign (resid   26 and  name HA   )(resid   29 and  name HG2  ) 5.0 3.2 0.5
assign (resid   26 and  name HA   )(resid   30 and  name HN   ) 5.0 3.2 0.5
!                                                                                                          
! HIS 27                                                                                             
assign (resid   27 and  name HN   )(resid   27 and  name HA   ) 3.9 2.1 0.4
assign (resid   27 and  name HN   )(resid   27 and  name HB1  ) 3.9 2.1 0.4
assign (resid   27 and  name HN   )(resid   27 and  name HB2  ) 3.9 2.1 0.4
assign (resid   27 and  name HA   )(resid   27 and  name HB1  ) 5.0 3.2 0.5
assign (resid   27 and  name HA   )(resid   27 and  name HB2  ) 3.9 2.1 0.4
!                                                                                                          
assign (resid   27 and  name HN   )(resid   28 and  name HN   ) 3.9 2.1 0.4
assign (resid   27 and  name HA   )(resid   28 and  name HN   ) 5.0 3.2 0.5
assign (resid   27 and  name HB1  )(resid   28 and  name HN   ) 5.0 3.2 0.5
assign (resid   27 and  name HB2  )(resid   28 and  name HN   ) 5.0 3.2 0.5
assign (resid   27 and  name HA   )(resid   30 and  name HN   ) 5.0 3.2 0.5
assign (resid   27 and  name HA   )(resid   30 and  name HB#  ) 3.9 2.1 1.4
assign (resid   27 and  name HA   )(resid   30 and  name HG#  ) 5.0 3.2 1.5
!                                                                                                          
! LYS 28                                                                                             
assign (resid   28 and  name HN   )(resid   28 and  name HA   ) 2.8 1.0 0.3
assign (resid   28 and  name HN   )(resid   28 and  name HB#  ) 2.8 1.0 1.3
assign (resid   28 and  name HN   )(resid   28 and  name HG#  ) 5.0 3.2 1.5
assign (resid   28 and  name HN   )(resid   28 and  name HD1  ) 5.0 3.2 0.5
assign (resid   28 and  name HN   )(resid   28 and  name HD2  ) 5.0 3.2 0.5
!                                                                                                          
assign (resid   28 and  name HA   )(resid   31 and  name HN   ) 5.0 3.2 0.5
assign (resid   28 and  name HA   )(resid   31 and  name HB1  ) 5.0 3.2 0.5
assign (resid   28 and  name HA   )(resid   31 and  name HB2  ) 5.0 3.2 0.5
!                                                                                                          
! ARG 29                                                                                             
assign (resid   29 and  name HN   )(resid   29 and  name HA   ) 2.8 1.0 0.3
assign (resid   29 and  name HN   )(resid   29 and  name HB1  ) 3.9 2.1 0.4
assign (resid   29 and  name HN   )(resid   29 and  name HB2  ) 3.9 2.1 0.4
assign (resid   29 and  name HN   )(resid   29 and  name HG1  ) 5.0 3.2 0.5
assign (resid   29 and  name HN   )(resid   29 and  name HG2  ) 5.0 3.2 0.5
!                                                                                                          
assign (resid   29 and  name HN   )(resid   30 and  name HN   ) 2.8 1.0 0.3
assign (resid   29 and  name HA   )(resid   30 and  name HN   ) 5.0 3.2 0.5
assign (resid   29 and  name HN   )(resid   31 and  name HN   ) 5.0 3.2 0.5
assign (resid   29 and  name HA   )(resid   32 and  name HN   ) 5.0 3.2 0.5
assign (resid   29 and  name HA   )(resid   32 and  name HB#  ) 2.8 1.0 1.3
!                                                                                                          
! GLU 30                                                                                             
assign (resid   30 and  name HN   )(resid   30 and  name HA   ) 2.8 1.0 0.3
assign (resid   30 and  name HN   )(resid   30 and  name HB#  ) 2.8 1.0 1.3
assign (resid   30 and  name HN   )(resid   30 and  name HG#  ) 3.9 2.1 1.4
assign (resid   30 and  name HA   )(resid   30 and  name HB#  ) 2.8 1.0 1.3
assign (resid   30 and  name HA   )(resid   30 and  name HG#  ) 3.9 2.1 1.4
!                                                                                                          
assign (resid   30 and  name HN   )(resid   31 and  name HN   ) 2.8 1.0 0.3
assign (resid   30 and  name HA   )(resid   31 and  name HN   ) 3.9 2.1 0.4
assign (resid   30 and  name HB#  )(resid   31 and  name HN   ) 3.9 2.1 1.4
assign (resid   30 and  name HN   )(resid   32 and  name HN   ) 5.0 3.2 0.5
!                                                                                                          
! ASN 31                                                                                             
assign (resid   31 and  name HN   )(resid   31 and  name HB1  ) 5.0 3.2 0.5
assign (resid   31 and  name HN   )(resid   31 and  name HB2  ) 3.9 2.1 0.4
!                                                                                                          
assign (resid   31 and  name HB1  )(resid   32 and  name HN   ) 5.0 3.2 0.5
assign (resid   31 and  name HB2  )(resid   32 and  name HN   ) 5.0 3.2 0.5
assign (resid   31 and  name HN   )(resid   32 and  name HN   ) 2.8 1.0 0.3
!                                                                               
assign (resid   31 and  name HB1  )(resid   31 and  name HD1  ) 5.0 3.2 0.5
assign (resid   31 and  name HB2  )(resid   31 and  name HD1  ) 3.9 2.1 0.4
assign (resid   31 and  name HB2  )(resid   31 and  name HD2  ) 5.0 3.2 0.5
assign (resid   31 and  name HD1  )(resid   31 and  name HD2  ) 2.8 1.0 0.3
!                                                                                                                                      
! ALA 32                                                                                             
assign (resid   32 and  name HN   )(resid   32 and  name HA   ) 3.9 2.1 0.4
assign (resid   32 and  name HN   )(resid   32 and  name HB#  ) 2.8 1.0 1.3
assign (resid   32 and  name HA   )(resid   32 and  name HB#  ) 2.8 1.0 1.3
!                                                                                                          
assign (resid   32 and  name HA   )(resid   33 and  name HN   ) 3.9 2.1 0.4
assign (resid   32 and  name HB#  )(resid   33 and  name HN   ) 2.8 1.0 1.3
!                                                                                                          
! LYS 33                                                                                             
assign (resid   33 and  name HN   )(resid   33 and  name HA   ) 2.8 1.0 0.3
assign (resid   33 and  name HN   )(resid   33 and  name HB#  ) 2.8 1.0 1.3
assign (resid   33 and  name HN   )(resid   33 and  name HG1  ) 5.0 3.2 0.5
!                                                                                                          
assign (resid   33 and  name HN   )(resid   34 and  name HN   ) 5.0 3.2 0.5
assign (resid   33 and  name HB#  )(resid   34 and  name HN   ) 3.9 2.1 1.4
assign (resid   33 and  name HG#  )(resid   34 and  name HN   ) 5.0 3.2 1.5
!                                                                                                         
! GLU 34                                                                                             
assign (resid   34 and  name HN   )(resid   34 and  name HA   ) 2.8 1.0 0.3
assign (resid   34 and  name HN   )(resid   34 and  name HG#  ) 5.0 3.2 1.5
assign (resid   34 and  name HN   )(resid   34 and  name HB1  ) 5.0 3.2 0.5
assign (resid   34 and  name HA   )(resid   34 and  name HB1  ) 2.8 1.0 0.3
assign (resid   34 and  name HA   )(resid   34 and  name HB2  ) 2.8 1.0 0.3
assign (resid   34 and  name HA   )(resid   34 and  name HG#  ) 5.0 3.2 1.5


  Entry H atom name         Submitted Coord H atom name
    1   1H    CYS   1          1H        CYS   1 -22.908   7.542   3.966
    2   2H    CYS   1          2H        CYS   1 -24.029   8.449   4.870
    3   3H    CYS   1          3H        CYS   1 -22.516   8.073   5.530
    4    HA   CYS   1           HA       CYS   1 -24.152   6.627   6.514
    5   1HB   CYS   1          1HB       CYS   1 -24.908   6.431   3.625
    6   2HB   CYS   1          2HB       CYS   1 -25.201   5.025   4.645
    7    HG   CYS   1           HG       CYS   1 -26.624   7.759   4.904
    8    H    ALA   2           H        ALA   2 -23.753   4.294   6.832
    9    HA   ALA   2           HA       ALA   2 -20.991   3.564   6.403
   10   1HB   ALA   2          1HB       ALA   2 -22.564   2.957   8.333
   11   2HB   ALA   2          2HB       ALA   2 -23.252   1.744   7.252
   12   3HB   ALA   2          3HB       ALA   2 -21.554   1.654   7.712
   13    H    VAL   3           H        VAL   3 -20.153   1.905   5.049
   14    HA   VAL   3           HA       VAL   3 -21.965   1.014   2.844
   15    HB   VAL   3           HB       VAL   3 -19.861   0.970   1.460
   16   1HG1  VAL   3          1HG1      VAL   3 -21.506   2.855   1.499
   17   2HG1  VAL   3          2HG1      VAL   3 -20.472   3.671   2.674
   18   3HG1  VAL   3          3HG1      VAL   3 -19.872   3.341   1.049
   19   1HG2  VAL   3          1HG2      VAL   3 -18.406   1.031   3.697
   20   2HG2  VAL   3          2HG2      VAL   3 -17.822   1.798   2.221
   21   3HG2  VAL   3          3HG2      VAL   3 -18.568   2.776   3.483
   22    H    GLU   4           H        GLU   4 -22.392  -0.629   4.586
   23    HA   GLU   4           HA       GLU   4 -22.360  -2.844   5.275
   24   1HB   GLU   4          1HB       GLU   4 -20.457  -3.092   2.934
   25   2HB   GLU   4          2HB       GLU   4 -21.218  -4.435   3.774
   26   1HG   GLU   4          1HG       GLU   4 -23.064  -2.314   2.815
   27   2HG   GLU   4          2HG       GLU   4 -22.280  -3.281   1.569
   28    H    LEU   5           H        LEU   5 -19.888  -0.875   6.003
   29    HA   LEU   5           HA       LEU   5 -18.018  -0.975   7.363
   30   1HB   LEU   5          1HB       LEU   5 -19.966  -2.913   8.249
   31   2HB   LEU   5          2HB       LEU   5 -18.347  -3.480   8.631
   32    HG   LEU   5           HG       LEU   5 -19.278  -2.144  10.461
   33   1HD1  LEU   5          1HD1      LEU   5 -16.779  -2.048   9.690
   34   2HD1  LEU   5          2HD1      LEU   5 -17.172  -0.387   9.247
   35   3HD1  LEU   5          3HD1      LEU   5 -17.358  -0.922  10.916
   36   1HD2  LEU   5          1HD2      LEU   5 -20.700  -0.692   8.926
   37   2HD2  LEU   5          2HD2      LEU   5 -19.869   0.165  10.223
   38   3HD2  LEU   5          3HD2      LEU   5 -19.235   0.229   8.578
   39    H    ARG   6           H        ARG   6 -17.903  -2.334   4.622
   40    HA   ARG   6           HA       ARG   6 -15.258  -3.585   4.951
   41   1HB   ARG   6          1HB       ARG   6 -17.246  -5.274   5.223
   42   2HB   ARG   6          2HB       ARG   6 -17.440  -5.099   3.487
   43   1HG   ARG   6          1HG       ARG   6 -15.344  -6.070   3.031
   44   2HG   ARG   6          2HG       ARG   6 -14.741  -5.766   4.659
   45   1HD   ARG   6          1HD       ARG   6 -15.515  -7.756   5.395
   46   2HD   ARG   6          2HD       ARG   6 -17.137  -7.425   4.760
   47    HE   ARG   6           HE       ARG   6 -14.936  -8.401   2.976
   48   1HH1  ARG   6          1HH1      ARG   6 -17.682  -7.584   1.932
   49   2HH1  ARG   6          2HH1      ARG   6 -18.465  -9.116   1.777
   50   1HH2  ARG   6          1HH2      ARG   6 -16.118 -10.776   3.774
   51   2HH2  ARG   6          2HH2      ARG   6 -17.562 -10.958   2.839
   52    H    SER   7           H        SER   7 -17.782  -3.514   2.408
   53    HA   SER   7           HA       SER   7 -17.596  -2.980   0.134
   54   1HB   SER   7          1HB       SER   7 -17.462  -0.693   1.971
   55   2HB   SER   7          2HB       SER   7 -17.050  -0.323   0.303
   56    HG   SER   7           HG       SER   7 -19.433  -1.318   1.416
   57    HA   PRO   8           HA       PRO   8 -13.050  -3.051  -0.549
   58   1HB   PRO   8          1HB       PRO   8 -13.051  -5.028  -2.429
   59   2HB   PRO   8          2HB       PRO   8 -13.025  -5.345  -0.684
   60   1HG   PRO   8          1HG       PRO   8 -15.261  -5.557  -2.596
   61   2HG   PRO   8          2HG       PRO   8 -14.922  -6.500  -1.137
   62   1HD   PRO   8          1HD       PRO   8 -16.782  -4.466  -1.340
   63   2HD   PRO   8          2HD       PRO   8 -16.106  -5.101   0.175
   64    H    GLY   9           H        GLY   9 -14.288  -0.914  -1.520
   65   1HA   GLY   9          1HA       GLY   9 -14.189  -0.969  -4.503
   66   2HA   GLY   9          2HA       GLY   9 -14.940   0.303  -3.524
   67    H    ILE  10           H        ILE  10 -13.543   1.701  -2.253
   68    HA   ILE  10           HA       ILE  10 -11.103   2.433  -3.667
   69    HB   ILE  10           HB       ILE  10 -12.496   3.429  -1.159
   70   1HG1  ILE  10          1HG1      ILE  10 -11.982   4.778  -3.826
   71   2HG1  ILE  10          2HG1      ILE  10 -13.449   3.872  -3.470
   72   1HG2  ILE  10          1HG2      ILE  10  -9.780   4.062  -2.208
   73   2HG2  ILE  10          2HG2      ILE  10 -10.773   5.433  -1.716
   74   3HG2  ILE  10          3HG2      ILE  10 -10.403   4.153  -0.561
   75   1HD1  ILE  10          1HD1      ILE  10 -12.489   6.205  -1.790
   76   2HD1  ILE  10          2HD1      ILE  10 -13.651   6.363  -3.107
   77   3HD1  ILE  10          3HD1      ILE  10 -14.049   5.386  -1.695
   78    H    SER  11           H        SER  11 -11.873   0.689  -0.660
   79    HA   SER  11           HA       SER  11  -9.267   0.574   0.492
   80   1HB   SER  11          1HB       SER  11 -11.750  -1.135   0.576
   81   2HB   SER  11          2HB       SER  11 -10.285  -1.688   1.371
   82    HG   SER  11           HG       SER  11 -11.426  -0.468   2.847
   83    H    ARG  12           H        ARG  12 -10.902  -1.801  -1.673
   84    HA   ARG  12           HA       ARG  12  -8.584  -3.474  -2.026
   85   1HB   ARG  12          1HB       ARG  12 -11.271  -3.602  -2.619
   86   2HB   ARG  12          2HB       ARG  12 -10.546  -3.431  -4.215
   87   1HG   ARG  12          1HG       ARG  12  -8.955  -5.274  -2.716
   88   2HG   ARG  12          2HG       ARG  12 -10.641  -5.758  -2.564
   89   1HD   ARG  12          1HD       ARG  12  -9.722  -4.994  -5.299
   90   2HD   ARG  12          2HD       ARG  12  -9.126  -6.533  -4.649
   91    HE   ARG  12           HE       ARG  12 -11.983  -5.862  -5.109
   92   1HH1  ARG  12          1HH2      ARG  12 -10.422  -8.267  -6.217
   93   2HH1  ARG  12          2HH2      ARG  12 -11.046  -9.549  -5.240
   94   1HH2  ARG  12          1HH1      ARG  12 -12.416  -7.378  -2.862
   95   2HH2  ARG  12          2HH1      ARG  12 -12.198  -9.036  -3.303
   96    H    PHE  13           H        PHE  13  -9.278  -0.377  -3.330
   97    HA   PHE  13           HA       PHE  13  -7.655  -0.710  -5.786
   98   1HB   PHE  13          1HB       PHE  13  -9.773   0.389  -5.967
   99   2HB   PHE  13          2HB       PHE  13  -9.476   1.361  -4.541
  100    HD1  PHE  13           HD1      PHE  13  -7.978   3.318  -4.651
  101    HD2  PHE  13           HD2      PHE  13  -8.874   0.979  -8.138
  102    HE1  PHE  13           HE1      PHE  13  -7.116   5.138  -6.092
  103    HE2  PHE  13           HE2      PHE  13  -8.013   2.801  -9.580
  104    HZ   PHE  13           HZ       PHE  13  -7.134   4.882  -8.557
  105    H    ARG  14           H        ARG  14  -7.768   1.244  -2.787
  106    HA   ARG  14           HA       ARG  14  -5.212   2.536  -3.186
  107   1HB   ARG  14          1HB       ARG  14  -5.667   3.544  -1.080
  108   2HB   ARG  14          2HB       ARG  14  -7.220   3.365  -1.888
  109   1HG   ARG  14          1HG       ARG  14  -7.493   1.182  -0.591
  110   2HG   ARG  14          2HG       ARG  14  -6.085   1.673   0.347
  111   1HD   ARG  14          1HD       ARG  14  -7.800   3.932   0.299
  112   2HD   ARG  14          2HD       ARG  14  -8.824   2.528   0.661
  113    HE   ARG  14           HE       ARG  14  -7.467   2.045   2.595
  114   1HH1  ARG  14          1HH2      ARG  14  -7.839   4.994   2.964
  115   2HH1  ARG  14          2HH2      ARG  14  -6.226   5.541   3.263
  116   1HH2  ARG  14          1HH1      ARG  14  -4.757   2.624   2.015
  117   2HH2  ARG  14          2HH1      ARG  14  -4.452   4.175   2.717
  118    H    ARG  15           H        ARG  15  -6.148  -0.453  -1.458
  119    HA   ARG  15           HA       ARG  15  -3.802  -0.768   0.120
  120   1HB   ARG  15          1HB       ARG  15  -5.777  -2.674  -1.131
  121   2HB   ARG  15          2HB       ARG  15  -4.411  -3.272  -0.190
  122   1HG   ARG  15          1HG       ARG  15  -5.317  -1.323   1.478
  123   2HG   ARG  15          2HG       ARG  15  -6.826  -1.820   0.728
  124   1HD   ARG  15          1HD       ARG  15  -6.790  -3.402   2.385
  125   2HD   ARG  15          2HD       ARG  15  -5.755  -4.263   1.229
  126    HE   ARG  15           HE       ARG  15  -4.218  -2.411   2.870
  127   1HH1  ARG  15          1HH1      ARG  15  -3.104  -5.003   2.019
  128   2HH1  ARG  15          2HH1      ARG  15  -3.164  -5.951   3.466
  129   1HH2  ARG  15          1HH2      ARG  15  -5.442  -3.848   5.057
  130   2HH2  ARG  15          2HH2      ARG  15  -4.499  -5.290   5.200
  131    H    LYS  16           H        LYS  16  -4.399  -1.684  -3.273
  132    HA   LYS  16           HA       LYS  16  -1.850  -2.993  -3.700
  133   1HB   LYS  16          1HB       LYS  16  -4.107  -3.049  -5.034
  134   2HB   LYS  16          2HB       LYS  16  -3.468  -1.617  -5.838
  135   1HG   LYS  16          1HG       LYS  16  -1.335  -3.443  -5.814
  136   2HG   LYS  16          2HG       LYS  16  -2.755  -4.405  -6.224
  137   1HD   LYS  16          1HD       LYS  16  -3.209  -2.286  -7.823
  138   2HD   LYS  16          2HD       LYS  16  -1.450  -2.200  -7.739
  139   1HE   LYS  16          1HE       LYS  16  -1.217  -3.979  -9.111
  140   2HE   LYS  16          2HE       LYS  16  -2.337  -4.952  -8.142
  141   1HZ   LYS  16          1HZ       LYS  16  -4.197  -3.757  -9.186
  142   2HZ   LYS  16          2HZ       LYS  16  -3.097  -2.905 -10.165
  143   3HZ   LYS  16          3HZ       LYS  16  -3.255  -4.579 -10.332
  144    H    ILE  17           H        ILE  17  -3.043   0.333  -4.225
  145    HA   ILE  17           HA       ILE  17  -0.761   1.446  -5.520
  146    HB   ILE  17           HB       ILE  17  -2.898   2.580  -3.684
  147   1HG1  ILE  17          1HG1      ILE  17  -2.509   2.930  -6.671
  148   2HG1  ILE  17          2HG1      ILE  17  -3.495   1.645  -5.980
  149   1HG2  ILE  17          1HG2      ILE  17  -0.607   3.952  -5.063
  150   2HG2  ILE  17          2HG2      ILE  17  -2.143   4.797  -4.865
  151   3HG2  ILE  17          3HG2      ILE  17  -1.263   4.224  -3.450
  152   1HD1  ILE  17          1HD1      ILE  17  -4.020   4.435  -5.052
  153   2HD1  ILE  17          2HD1      ILE  17  -4.559   3.990  -6.671
  154   3HD1  ILE  17          3HD1      ILE  17  -5.140   3.091  -5.270
  155    H    ALA  18           H        ALA  18  -1.563   1.144  -2.044
  156    HA   ALA  18           HA       ALA  18   0.761   2.452  -0.994
  157   1HB   ALA  18          1HB       ALA  18  -1.335   1.923   0.246
  158   2HB   ALA  18          2HB       ALA  18  -0.914   0.211   0.184
  159   3HB   ALA  18          3HB       ALA  18   0.100   1.336   1.086
  160    H    LYS  19           H        LYS  19   0.115  -0.977  -1.744
  161    HA   LYS  19           HA       LYS  19   2.445  -2.227  -0.788
  162   1HB   LYS  19          1HB       LYS  19   0.409  -3.303  -1.709
  163   2HB   LYS  19          2HB       LYS  19   0.861  -2.762  -3.321
  164   1HG   LYS  19          1HG       LYS  19   2.778  -4.184  -3.364
  165   2HG   LYS  19          2HG       LYS  19   2.660  -4.521  -1.637
  166   1HD   LYS  19          1HD       LYS  19   1.158  -6.173  -1.954
  167   2HD   LYS  19          2HD       LYS  19   0.188  -5.191  -3.043
  168   1HE   LYS  19          1HE       LYS  19   2.717  -6.034  -4.272
  169   2HE   LYS  19          2HE       LYS  19   1.704  -7.404  -3.788
  170   1HZ   LYS  19          1HZ       LYS  19  -0.179  -6.382  -4.923
  171   2HZ   LYS  19          2HZ       LYS  19   0.793  -5.066  -5.386
  172   3HZ   LYS  19          3HZ       LYS  19   1.106  -6.617  -6.002
  173    H    ARG  20           H        ARG  20   1.914  -0.705  -3.980
  174    HA   ARG  20           HA       ARG  20   4.491  -1.197  -5.113
  175   1HB   ARG  20          1HB       ARG  20   2.326  -0.493  -6.237
  176   2HB   ARG  20          2HB       ARG  20   2.639   1.137  -5.649
  177   1HG   ARG  20          1HG       ARG  20   4.811   1.137  -6.847
  178   2HG   ARG  20          2HG       ARG  20   4.450  -0.471  -7.477
  179   1HD   ARG  20          1HD       ARG  20   2.557   0.344  -8.729
  180   2HD   ARG  20          2HD       ARG  20   2.644   1.930  -7.940
  181    HE   ARG  20           HE       ARG  20   5.172   1.500  -9.115
  182   1HH1  ARG  20          1HH2      ARG  20   3.631   3.905  -9.804
  183   2HH1  ARG  20          2HH2      ARG  20   3.222   3.657 -11.464
  184   1HH2  ARG  20          1HH1      ARG  20   3.892   0.234 -11.379
  185   2HH2  ARG  20          2HH1      ARG  20   3.371   1.553 -12.367
  186    H    SER  21           H        SER  21   3.247   1.599  -3.252
  187    HA   SER  21           HA       SER  21   5.625   3.212  -3.481
  188   1HB   SER  21          1HB       SER  21   3.131   3.730  -2.754
  189   2HB   SER  21          2HB       SER  21   3.760   3.401  -1.145
  190    HG   SER  21           HG       SER  21   4.534   5.371  -1.259
  191    H    ILE  22           H        ILE  22   4.601   0.800  -1.047
  192    HA   ILE  22           HA       ILE  22   6.687   1.381   0.858
  193    HB   ILE  22           HB       ILE  22   5.043  -1.123   0.370
  194   1HG1  ILE  22          1HG1      ILE  22   4.619   0.744   2.669
  195   2HG1  ILE  22          2HG1      ILE  22   4.049   1.265   1.085
  196   1HG2  ILE  22          1HG2      ILE  22   7.178  -0.506   2.309
  197   2HG2  ILE  22          2HG2      ILE  22   5.689  -1.090   3.049
  198   3HG2  ILE  22          3HG2      ILE  22   6.508  -2.063   1.828
  199   1HD1  ILE  22          1HD1      ILE  22   2.882  -0.981   0.885
  200   2HD1  ILE  22          2HD1      ILE  22   3.268  -1.243   2.586
  201   3HD1  ILE  22          3HD1      ILE  22   2.224   0.099   2.115
  202    H    LYS  23           H        LYS  23   6.439  -1.211  -1.621
  203    HA   LYS  23           HA       LYS  23   8.914  -2.476  -1.206
  204   1HB   LYS  23          1HB       LYS  23   6.820  -2.528  -3.091
  205   2HB   LYS  23          2HB       LYS  23   8.293  -2.282  -4.028
  206   1HG   LYS  23          1HG       LYS  23   9.049  -4.196  -2.163
  207   2HG   LYS  23          2HG       LYS  23   7.397  -4.651  -2.556
  208   1HD   LYS  23          1HD       LYS  23   8.687  -5.799  -4.150
  209   2HD   LYS  23          2HD       LYS  23   8.114  -4.383  -5.029
  210   1HE   LYS  23          1HE       LYS  23  10.297  -3.234  -4.416
  211   2HE   LYS  23          2HE       LYS  23  10.866  -4.801  -3.813
  212   1HZ   LYS  23          1HZ       LYS  23   9.823  -4.312  -6.558
  213   2HZ   LYS  23          2HZ       LYS  23  11.456  -4.477  -6.152
  214   3HZ   LYS  23          3HZ       LYS  23  10.404  -5.792  -5.955
  215    H    THR  24           H        THR  24   8.267   0.369  -3.272
  216    HA   THR  24           HA       THR  24  10.949   0.679  -4.273
  217    HB   THR  24           HB       THR  24   8.712   2.695  -3.865
  218    HG1  THR  24           HG1      THR  24   7.837   1.664  -5.448
  219   1HG2  THR  24          1HG2      THR  24  10.900   3.769  -4.316
  220   2HG2  THR  24          2HG2      THR  24  11.080   2.769  -5.758
  221   3HG2  THR  24          3HG2      THR  24   9.785   3.961  -5.666
  222    H    LEU  25           H        LEU  25   9.313   1.873  -1.354
  223    HA   LEU  25           HA       LEU  25  11.341   3.736  -0.507
  224   1HB   LEU  25          1HB       LEU  25   8.798   2.758   0.365
  225   2HB   LEU  25          2HB       LEU  25   9.922   2.581   1.708
  226    HG   LEU  25           HG       LEU  25  10.618   5.058   0.916
  227   1HD1  LEU  25          1HD1      LEU  25   7.715   4.699   0.122
  228   2HD1  LEU  25          2HD1      LEU  25   8.461   6.272   0.397
  229   3HD1  LEU  25          3HD1      LEU  25   9.045   5.235  -0.905
  230   1HD2  LEU  25          1HD2      LEU  25   9.636   4.106   3.152
  231   2HD2  LEU  25          2HD2      LEU  25   9.466   5.828   2.815
  232   3HD2  LEU  25          3HD2      LEU  25   8.106   4.742   2.552
  233    H    GLU  26           H        GLU  26  10.703   0.321   0.322
  234    HA   GLU  26           HA       GLU  26  12.862  -0.003   2.194
  235   1HB   GLU  26          1HB       GLU  26  11.375  -1.977   0.431
  236   2HB   GLU  26          2HB       GLU  26  12.397  -2.426   1.795
  237   1HG   GLU  26          1HG       GLU  26  10.937  -1.451   3.372
  238   2HG   GLU  26          2HG       GLU  26  10.109  -0.488   2.153
  239    H    HIS  27           H        HIS  27  12.621  -0.624  -1.312
  240    HA   HIS  27           HA       HIS  27  15.197  -1.765  -1.719
  241   1HB   HIS  27          1HB       HIS  27  13.091  -1.537  -3.232
  242   2HB   HIS  27          2HB       HIS  27  13.800  -0.004  -3.721
  243    HD1  HIS  27           HD1      HIS  27  14.052  -1.121  -6.125
  244    HD2  HIS  27           HD2      HIS  27  16.416  -2.829  -3.145
  245    HE1  HIS  27           HE1      HIS  27  15.804  -2.512  -7.306
  246    H    LYS  28           H        LYS  28  14.316   1.584  -1.108
  247    HA   LYS  28           HA       LYS  28  16.997   2.495  -2.002
  248   1HB   LYS  28          1HB       LYS  28  15.963   4.416  -2.578
  249   2HB   LYS  28          2HB       LYS  28  14.486   3.489  -2.433
  250   1HG   LYS  28          1HG       LYS  28  13.862   4.559  -0.483
  251   2HG   LYS  28          2HG       LYS  28  15.519   4.801   0.054
  252   1HD   LYS  28          1HD       LYS  28  14.956   6.962  -0.525
  253   2HD   LYS  28          2HD       LYS  28  15.652   6.400  -2.043
  254   1HE   LYS  28          1HE       LYS  28  12.881   5.671  -2.042
  255   2HE   LYS  28          2HE       LYS  28  12.997   7.378  -1.581
  256   1HZ   LYS  28          1HZ       LYS  28  14.386   6.150  -3.907
  257   2HZ   LYS  28          2HZ       LYS  28  12.967   7.077  -3.999
  258   3HZ   LYS  28          3HZ       LYS  28  14.409   7.794  -3.478
  259    H    ARG  29           H        ARG  29  15.107   1.958   0.921
  260    HA   ARG  29           HA       ARG  29  16.939   3.482   2.647
  261   1HB   ARG  29          1HB       ARG  29  14.494   1.761   3.016
  262   2HB   ARG  29          2HB       ARG  29  15.466   2.245   4.402
  263   1HG   ARG  29          1HG       ARG  29  15.050   4.556   4.019
  264   2HG   ARG  29          2HG       ARG  29  14.419   4.255   2.400
  265   1HD   ARG  29          1HD       ARG  29  12.342   3.820   3.181
  266   2HD   ARG  29          2HD       ARG  29  12.958   2.742   4.443
  267    HE   ARG  29           HE       ARG  29  12.815   5.721   4.702
  268   1HH1  ARG  29          1HH2      ARG  29  11.227   3.328   6.111
  269   2HH1  ARG  29          2HH2      ARG  29  11.867   3.488   7.709
  270   1HH2  ARG  29          1HH1      ARG  29  14.464   5.606   6.735
  271   2HH2  ARG  29          2HH1      ARG  29  13.720   4.790   8.064
  272    H    GLU  30           H        GLU  30  15.968   0.012   2.599
  273    HA   GLU  30           HA       GLU  30  18.097  -0.937   4.248
  274   1HB   GLU  30          1HB       GLU  30  16.002  -2.046   2.498
  275   2HB   GLU  30          2HB       GLU  30  17.425  -3.072   2.652
  276   1HG   GLU  30          1HG       GLU  30  16.639  -1.957   5.227
  277   2HG   GLU  30          2HG       GLU  30  15.329  -2.874   4.488
  278    H    ASN  31           H        ASN  31  17.846  -0.781   0.694
  279    HA   ASN  31           HA       ASN  31  20.367  -2.041   0.129
  280   1HB   ASN  31          1HB       ASN  31  18.220  -1.458  -1.304
  281   2HB   ASN  31          2HB       ASN  31  19.155  -0.019  -1.703
  282   1HD2  ASN  31          2HD2      ASN  31  21.387  -0.425  -2.669
  283   2HD2  ASN  31          1HD2      ASN  31  21.628  -1.852  -3.553
  284    H    ALA  32           H        ALA  32  19.729   1.191   1.299
  285    HA   ALA  32           HA       ALA  32  22.076   2.444   0.090
  286   1HB   ALA  32          1HB       ALA  32  19.985   3.165   2.123
  287   2HB   ALA  32          2HB       ALA  32  21.433   4.161   1.978
  288   3HB   ALA  32          3HB       ALA  32  20.366   3.948   0.590
  289    H    LYS  33           H        LYS  33  23.870   3.293   1.433
  290    HA   LYS  33           HA       LYS  33  25.167   1.310   3.042
  291   1HB   LYS  33          1HB       LYS  33  25.645   4.034   2.071
  292   2HB   LYS  33          2HB       LYS  33  26.329   3.763   3.664
  293   1HG   LYS  33          1HG       LYS  33  27.406   1.666   2.767
  294   2HG   LYS  33          2HG       LYS  33  26.867   2.156   1.159
  295   1HD   LYS  33          1HD       LYS  33  28.875   3.226   1.080
  296   2HD   LYS  33          2HD       LYS  33  28.026   4.467   1.997
  297   1HE   LYS  33          1HE       LYS  33  28.842   2.662   3.963
  298   2HE   LYS  33          2HE       LYS  33  30.221   2.725   2.851
  299   1HZ   LYS  33          1HZ       LYS  33  29.991   5.206   2.909
  300   2HZ   LYS  33          2HZ       LYS  33  28.855   5.011   4.162
  301   3HZ   LYS  33          3HZ       LYS  33  30.461   4.508   4.381
  302    H    GLU  34           H        GLU  34  23.624   4.400   4.005
  303    HA   GLU  34           HA       GLU  34  23.378   3.346   6.802
  304   1HB   GLU  34          1HB       GLU  34  24.091   6.047   5.654
  305   2HB   GLU  34          2HB       GLU  34  23.513   5.888   7.307
  306   1HG   GLU  34          1HG       GLU  34  25.772   5.690   7.694
  307   2HG   GLU  34          2HG       GLU  34  25.383   4.001   7.422