*HEADER   COMPLEX (SIGNAL TRANSDUCTION/PEPTIDE)   23-DEC-96   1GBQ    
*TITLE    SOLUTION NMR STRUCTURE OF THE GRB2 N-TERMINAL SH3 DOMAIN    
*TITLE   2 COMPLEXED WITH A TEN-RESIDUE PEPTIDE DERIVED FROM SOS      
*TITLE   3 DIRECT REFINEMENT AGAINST NOES, J-COUPLINGS, AND 1H AND 13C
*TITLE   4 CHEMICAL SHIFTS, MINIMIZED AVERAGE STRUCTURE               
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: GRB2;                                            
*COMPND  3 CHAIN: A;                                                  
*COMPND  4 FRAGMENT: N-TERMINAL SH3 DOMAIN;                           
*COMPND  5 ENGINEERED: YES;                                           
*COMPND  6 MOL_ID: 2;                                                 
*COMPND  7 MOLECULE: SOS-1;                                           
*COMPND  8 CHAIN: B;                                                  
*COMPND  9 FRAGMENT: RESIDUES 1135 - 1144, AC-VPPPVPPRRR-NH2;         
*COMPND 10 ENGINEERED: YES                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                         
*SOURCE  3 ORGANISM_COMMON: MOUSE;                                    
*SOURCE  4 STRAIN: BALB/C;                                            
*SOURCE  5 CELLULAR_LOCATION: CYTOPLASMIC;                            
*SOURCE  6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                       
*SOURCE  7 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);                      
*SOURCE  8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                    
*SOURCE  9 EXPRESSION_SYSTEM_VECTOR: PGTX-2T (PHARMACIA);             
*SOURCE 10 MOL_ID: 2;                                                 
*SOURCE 11 SYNTHETIC: YES;                                            
*SOURCE 12 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                         
*SOURCE 13 ORGANISM_COMMON: MOUSE;                                    
*SOURCE 14 CELLULAR_LOCATION: CYTOPLASM                               
*KEYWDS   COMPLEX (SIGNAL TRANSDUCTION/PEPTIDE), SH3 DOMAIN           
*EXPDTA   NMR, MINIMIZED AVERAGE STRUCTURE                            
*AUTHOR   M.WITTEKIND,C.MAPELLI,V.LEE,V.GOLDFARB,M.S.FRIEDRICHS,      
*AUTHOR  2 C.A.MEYERS,L.MUELLER                                       
*REVDAT  1   04-SEP-97 1GBQ    0                                      

assi ( segi SH3N and resi   7 and name   HA ) ( segi SH3N and resi   8 and name   HN ) 2.3 0.5 0.7
assi ( segi SH3N and resi   7 and name   HB ) ( segi SH3N and resi   8 and name   HN ) 3.0 1.2 0.9
assi ( segi SH3N and resi   8 and name   HN ) ( segi SH3N and resi   8 and name  HA* ) 2.5 0.7 0.8
assi ( segi SH3N and resi   9 and name   HA ) ( segi SH3N and resi   9 and name  HB* ) 2.5 0.7 0.8
assi ( segi SH3N and resi   9 and name   HA ) ( segi SH3N and resi  10 and name   HN ) 2.0 0.2 0.6
assi ( segi SH3N and resi   9 and name  HB* ) ( segi SH3N and resi  10 and name   HN ) 2.9 1.1 0.9
assi ( segi SH3N and resi   9 and name  HB* ) ( segi SH3N and resi  35 and name  HD* ) 3.2 1.4 1.0
assi ( segi SH3N and resi   9 and name  HB* ) ( segi SH3N and resi  35 and name  HG* ) 3.1 1.3 0.9
assi ( segi SH3N and resi  10 and name   HA ) ( segi SH3N and resi  10 and name  HB1 ) 2.6 0.8 0.8
assi ( segi SH3N and resi  10 and name   HA ) ( segi SH3N and resi  10 and name  HG* ) 2.4 0.6 0.7
assi ( segi SH3N and resi  10 and name  HB1 ) ( segi SH3N and resi  10 and name  HG* ) 2.6 0.8 0.8
assi ( segi SH3N and resi  10 and name  HB2 ) ( segi SH3N and resi  10 and name  HG* ) 2.5 0.7 0.8
assi ( segi SH3N and resi  10 and name   HN ) ( segi SH3N and resi  10 and name  HB1 ) 2.7 0.9 1.8
assi ( segi SH3N and resi  10 and name   HN ) ( segi SH3N and resi  10 and name  HB2 ) 2.6 0.8 1.8
assi ( segi SH3N and resi  10 and name   HN ) ( segi SH3N and resi  10 and name  HG* ) 3.0 1.2 0.9
assi ( segi SH3N and resi  10 and name   HA ) ( segi SH3N and resi  11 and name   HN ) 2.0 0.2 0.6
assi ( segi SH3N and resi  10 and name  HB2 ) ( segi SH3N and resi  36 and name  HG* ) 2.7 0.9 0.8
assi ( segi SH3N and resi  10 and name   HN ) ( segi SH3N and resi  36 and name  HG* ) 3.7 1.9 1.1
assi ( segi SH3N and resi  10 and name   HN ) ( segi SH3N and resi  36 and name   HN ) 3.0 1.2 0.9
assi ( segi SH3N and resi  10 and name  HG* ) ( segi SH3N and resi  64 and name  HB* ) 2.6 0.8 0.8
assi ( segi SH3N and resi  11 and name   HA ) ( segi SH3N and resi  11 and name  HB* ) 2.2 0.4 0.7
assi ( segi SH3N and resi  11 and name   HA ) ( segi SH3N and resi  11 and name  HG* ) 2.6 0.8 0.8
assi ( segi SH3N and resi  11 and name  HB* ) ( segi SH3N and resi  11 and name  HG* ) 2.2 0.4 0.7
assi ( segi SH3N and resi  11 and name   HN ) ( segi SH3N and resi  11 and name   HA ) 2.9 1.1 0.9
assi ( segi SH3N and resi  11 and name   HN ) ( segi SH3N and resi  11 and name  HB* ) 2.7 0.9 0.8
assi ( segi SH3N and resi  11 and name   HN ) ( segi SH3N and resi  11 and name  HG* ) 3.0 1.2 0.9
assi ( segi SH3N and resi  11 and name   HA ) ( segi SH3N and resi  12 and name   HN ) 2.0 0.2 0.6
assi ( segi SH3N and resi  11 and name  HB* ) ( segi SH3N and resi  12 and name   HN ) 2.9 1.1 0.9
assi ( segi SH3N and resi  11 and name  HG* ) ( segi SH3N and resi  12 and name   HN ) 3.5 1.7 1.1
assi ( segi SH3N and resi  11 and name   HN ) ( segi SH3N and resi  12 and name   HN ) 3.4 1.6 1.0
assi ( segi SH3N and resi  12 and name   HN ) ( segi SH3N and resi  12 and name   HA ) 2.8 1.0 0.8
assi ( segi SH3N and resi  12 and name   HA ) ( segi SH3N and resi  13 and name   HN ) 2.1 0.3 0.6
assi ( segi SH3N and resi  12 and name   HN ) ( segi SH3N and resi  34 and name  HB* ) 3.1 1.3 0.9
assi ( segi SH3N and resi  12 and name   HN ) ( segi SH3N and resi  34 and name   HN ) 2.6 0.8 0.8
assi ( segi SH3N and resi  12 and name   HA ) ( segi SH3N and resi  62 and name HG1* ) 2.4 0.6 0.7
assi ( segi SH3N and resi  12 and name   HA ) ( segi SH3N and resi  64 and name   HA ) 3.0 1.2 0.9
assi ( segi SH3N and resi  13 and name   HA ) ( segi SH3N and resi  13 and name   HB ) 2.8 1.0 0.8
assi ( segi SH3N and resi  13 and name   HA ) ( segi SH3N and resi  13 and name HG1* ) 2.8 1.0 0.8
assi ( segi SH3N and resi  13 and name   HA ) ( segi SH3N and resi  13 and name HG2* ) 3.0 1.2 0.9
assi ( segi SH3N and resi  13 and name   HB ) ( segi SH3N and resi  13 and name HG1* ) 2.2 0.4 0.7
assi ( segi SH3N and resi  13 and name HG1* ) ( segi SH3N and resi  13 and name HD1* ) 2.0 0.2 0.6
assi ( segi SH3N and resi  13 and name HG2* ) ( segi SH3N and resi  13 and name HG1* ) 2.0 0.2 0.6
assi ( segi SH3N and resi  13 and name   HN ) ( segi SH3N and resi  13 and name   HB ) 2.2 0.4 0.7
assi ( segi SH3N and resi  13 and name   HN ) ( segi SH3N and resi  13 and name HG1* ) 2.5 0.7 0.8
assi ( segi SH3N and resi  13 and name   HA ) ( segi SH3N and resi  14 and name   HN ) 2.0 0.2 0.6
assi ( segi SH3N and resi  13 and name   HN ) ( segi SH3N and resi  14 and name   HN ) 3.3 1.5 1.0
assi ( segi SH3N and resi  13 and name   HA ) ( segi SH3N and resi  34 and name   HN ) 2.8 1.0 0.8
assi ( segi SH3N and resi  13 and name   HN ) ( segi SH3N and resi  62 and name   HA ) 3.5 1.7 1.1
assi ( segi SH3N and resi  13 and name   HB ) ( segi SH3N and resi  63 and name  HB* ) 3.1 1.3 0.9
assi ( segi SH3N and resi  13 and name   HB ) ( segi SH3N and resi  63 and name  HG* ) 3.5 1.7 1.1
assi ( segi SH3N and resi  14 and name   HA ) ( segi SH3N and resi  14 and name  HB* ) 2.0 0.2 0.6
assi ( segi SH3N and resi  14 and name   HN ) ( segi SH3N and resi  14 and name   HA ) 2.6 0.8 0.8
assi ( segi SH3N and resi  14 and name   HN ) ( segi SH3N and resi  14 and name  HB* ) 2.1 0.3 0.6
assi ( segi SH3N and resi  14 and name   HA ) ( segi SH3N and resi  15 and name   HN ) 2.1 0.3 0.6
assi ( segi SH3N and resi  14 and name  HB* ) ( segi SH3N and resi  15 and name   HN ) 3.0 1.2 0.9
assi ( segi SH3N and resi  14 and name   HN ) ( segi SH3N and resi  15 and name   HN ) 3.6 1.8 1.1
assi ( segi SH3N and resi  14 and name   HA ) ( segi SH3N and resi  16 and name   HN ) 2.9 1.1 0.9
assi ( segi SH3N and resi  14 and name  HB* ) ( segi SH3N and resi  16 and name   HN ) 2.7 0.9 0.8
assi ( segi SH3N and resi  14 and name   HA ) ( segi SH3N and resi  28 and name  HE* ) 3.4 1.6 1.0
assi ( segi SH3N and resi  14 and name  HB* ) ( segi SH3N and resi  28 and name  HB* ) 2.4 0.6 0.7
assi ( segi SH3N and resi  14 and name  HB* ) ( segi SH3N and resi  28 and name  HD* ) 2.4 0.6 0.7
assi ( segi SH3N and resi  14 and name  HB* ) ( segi SH3N and resi  28 and name  HE* ) 2.5 0.7 0.8
assi ( segi SH3N and resi  14 and name  HB* ) ( segi SH3N and resi  29 and name   HN ) 4.4 2.6 1.3
assi ( segi SH3N and resi  14 and name  HB* ) ( segi SH3N and resi  30 and name   HN ) 3.7 1.9 1.1
assi ( segi SH3N and resi  14 and name  HB* ) ( segi SH3N and resi  31 and name   HN ) 2.5 0.7 0.8
assi ( segi SH3N and resi  14 and name  HB* ) ( segi SH3N and resi  32 and name  HB2 ) 2.9 1.1 0.9
assi ( segi SH3N and resi  14 and name  HB* ) ( segi SH3N and resi  32 and name   HN ) 2.5 0.7 0.8
assi ( segi SH3N and resi  14 and name   HN ) ( segi SH3N and resi  32 and name   HN ) 3.4 1.6 1.0
assi ( segi SH3N and resi  14 and name  HB* ) ( segi SH3N and resi  34 and name  HD* ) 2.5 0.7 0.8
assi ( segi SH3N and resi  14 and name   HN ) ( segi SH3N and resi  34 and name  HD* ) 3.2 1.4 1.0
assi ( segi SH3N and resi  14 and name   HN ) ( segi SH3N and resi  34 and name   HN ) 3.7 1.9 1.1
assi ( segi SH3N and resi  14 and name   HA ) ( segi SH3N and resi  62 and name   HA ) 2.3 0.5 0.7
assi ( segi SH3N and resi  14 and name   HA ) ( segi SH3N and resi  62 and name HG2* ) 2.6 0.8 0.8
assi ( segi SH3N and resi  15 and name   HA ) ( segi SH3N and resi  15 and name  HB* ) 2.0 0.2 0.6
assi ( segi SH3N and resi  15 and name   HA ) ( segi SH3N and resi  15 and name  HD* ) 2.6 0.8 0.8
assi ( segi SH3N and resi  15 and name   HA ) ( segi SH3N and resi  15 and name  HG* ) 3.9 2.1 1.2
assi ( segi SH3N and resi  15 and name  HB* ) ( segi SH3N and resi  15 and name  HD* ) 2.5 0.7 0.8
assi ( segi SH3N and resi  15 and name  HB* ) ( segi SH3N and resi  15 and name  HE* ) 3.2 1.4 1.0
assi ( segi SH3N and resi  15 and name  HD* ) ( segi SH3N and resi  15 and name  HE* ) 2.8 1.0 0.8
assi ( segi SH3N and resi  15 and name  HG* ) ( segi SH3N and resi  15 and name  HD* ) 2.3 0.5 0.7
assi ( segi SH3N and resi  15 and name  HG* ) ( segi SH3N and resi  15 and name  HE* ) 2.4 0.6 0.7
assi ( segi SH3N and resi  15 and name   HN ) ( segi SH3N and resi  15 and name   HA ) 2.7 0.9 0.8
assi ( segi SH3N and resi  15 and name   HN ) ( segi SH3N and resi  15 and name  HB* ) 2.6 0.8 0.8
assi ( segi SH3N and resi  15 and name   HN ) ( segi SH3N and resi  15 and name  HG* ) 3.2 1.4 1.0
assi ( segi SH3N and resi  15 and name   HA ) ( segi SH3N and resi  16 and name   HN ) 3.5 1.7 1.1
assi ( segi SH3N and resi  15 and name  HB* ) ( segi SH3N and resi  16 and name  HD* ) 2.9 1.1 0.9
assi ( segi SH3N and resi  15 and name  HB* ) ( segi SH3N and resi  16 and name  HE* ) 2.6 0.8 0.8
assi ( segi SH3N and resi  15 and name  HB* ) ( segi SH3N and resi  16 and name   HN ) 3.0 1.2 0.9
assi ( segi SH3N and resi  15 and name  HE* ) ( segi SH3N and resi  16 and name  HE* ) 2.9 1.1 0.9
assi ( segi SH3N and resi  15 and name  HG* ) ( segi SH3N and resi  16 and name   HN ) 3.1 1.3 0.9
assi ( segi SH3N and resi  15 and name   HN ) ( segi SH3N and resi  16 and name   HN ) 2.3 0.5 0.7
assi ( segi SH3N and resi  15 and name   HN ) ( segi SH3N and resi  28 and name  HE* ) 4.3 2.5 1.3
assi ( segi SH3N and resi  15 and name   HA ) ( segi SH3N and resi  30 and name   HA ) 3.6 1.8 1.1
assi ( segi SH3N and resi  15 and name   HA ) ( segi SH3N and resi  31 and name   HN ) 3.9 2.1 1.2
assi ( segi SH3N and resi  15 and name  HG* ) ( segi SH3N and resi  62 and name   HA ) 2.7 0.9 0.8
assi ( segi SH3N and resi  15 and name   HN ) ( segi SH3N and resi  62 and name   HA ) 2.4 0.6 0.7
assi ( segi SH3N and resi  15 and name  HE* ) ( segi SH3N and resi  63 and name  HB* ) 2.9 1.1 0.9
assi ( segi SH3N and resi  15 and name  HG* ) ( segi SH3N and resi  63 and name  HB* ) 2.4 0.6 0.7
assi ( segi SH3N and resi  16 and name   HA ) ( segi SH3N and resi  16 and name  HB1 ) 2.4 0.6 0.7
assi ( segi SH3N and resi  16 and name   HA ) ( segi SH3N and resi  16 and name  HB2 ) 2.7 0.9 0.8
assi ( segi SH3N and resi  16 and name  HB1 ) ( segi SH3N and resi  16 and name  HB2 ) 2.0 0.2 0.6
assi ( segi SH3N and resi  16 and name  HB1 ) ( segi SH3N and resi  16 and name  HD* ) 2.6 0.8 0.8
assi ( segi SH3N and resi  16 and name  HB2 ) ( segi SH3N and resi  16 and name  HD* ) 2.3 0.5 0.7
assi ( segi SH3N and resi  16 and name  HD* ) ( segi SH3N and resi  16 and name  HE* ) 2.0 0.2 0.6
assi ( segi SH3N and resi  16 and name   HN ) ( segi SH3N and resi  16 and name   HA ) 2.7 0.9 0.8
assi ( segi SH3N and resi  16 and name   HN ) ( segi SH3N and resi  16 and name  HB1 ) 3.2 1.4 1.0
assi ( segi SH3N and resi  16 and name   HN ) ( segi SH3N and resi  16 and name  HB2 ) 2.8 1.0 0.8
assi ( segi SH3N and resi  16 and name   HN ) ( segi SH3N and resi  16 and name  HD* ) 3.0 1.2 0.9
assi ( segi SH3N and resi  16 and name  HB1 ) ( segi SH3N and resi  17 and name   HN ) 2.6 0.8 0.8
assi ( segi SH3N and resi  16 and name  HB2 ) ( segi SH3N and resi  17 and name   HN ) 2.6 0.8 0.8
assi ( segi SH3N and resi  16 and name  HD* ) ( segi SH3N and resi  17 and name   HN ) 3.1 1.3 0.9
assi ( segi SH3N and resi  16 and name   HN ) ( segi SH3N and resi  28 and name  HD* ) 3.4 1.6 1.0
assi ( segi SH3N and resi  16 and name   HA ) ( segi SH3N and resi  30 and name  HB* ) 2.8 1.0 0.8
assi ( segi SH3N and resi  16 and name   HN ) ( segi SH3N and resi  30 and name   HA ) 3.1 1.3 0.9
assi ( segi SH3N and resi  16 and name   HN ) ( segi SH3N and resi  30 and name  HB* ) 3.5 1.7 1.1
assi ( segi SH3N and resi  16 and name   HN ) ( segi SH3N and resi  31 and name   HN ) 3.8 2.0 1.1
assi ( segi SH3N and resi  16 and name  HB1 ) ( segi SH3N and resi  61 and name  HD* ) 2.9 1.1 0.9
assi ( segi SH3N and resi  16 and name  HB1 ) ( segi SH3N and resi  61 and name  HE* ) 3.1 1.3 0.9
assi ( segi SH3N and resi  16 and name  HB2 ) ( segi SH3N and resi  61 and name  HD* ) 2.4 0.6 0.7
assi ( segi SH3N and resi  16 and name  HB2 ) ( segi SH3N and resi  61 and name  HE* ) 2.6 0.8 0.8
assi ( segi SH3N and resi  16 and name  HD* ) ( segi SH3N and resi  61 and name   HA ) 2.0 0.2 0.6
assi ( segi SH3N and resi  16 and name  HE* ) ( segi SH3N and resi  61 and name   HA ) 2.7 0.9 1.8
assi ( segi SH3N and resi  16 and name  HD* ) ( segi SOSE and resi   1 and name HT2* ) 3.2 1.4 1.0
assi ( segi SH3N and resi  16 and name  HE* ) ( segi SOSE and resi   1 and name   HN ) 3.9 2.1 1.2
assi ( segi SH3N and resi  16 and name  HE* ) ( segi SOSE and resi   1 and name HT2* ) 3.3 1.5 1.0
assi ( segi SH3N and resi  16 and name  HB1 ) ( segi SOSE and resi   2 and name  HB* ) 2.5 0.7 0.8
assi ( segi SH3N and resi  16 and name  HB1 ) ( segi SOSE and resi   2 and name  HG* ) 2.8 1.0 0.8
assi ( segi SH3N and resi  16 and name  HD* ) ( segi SOSE and resi   2 and name  HB* ) 2.7 0.9 0.8
assi ( segi SH3N and resi  16 and name  HD* ) ( segi SOSE and resi   2 and name  HD* ) 3.2 1.4 1.0
assi ( segi SH3N and resi  16 and name  HD* ) ( segi SOSE and resi   2 and name  HG* ) 3.0 1.2 0.9
assi ( segi SH3N and resi  16 and name  HE* ) ( segi SOSE and resi   2 and name  HB* ) 3.3 1.5 1.0
assi ( segi SH3N and resi  16 and name  HE* ) ( segi SOSE and resi   2 and name  HD* ) 4.2 2.4 1.3
assi ( segi SH3N and resi  16 and name  HE* ) ( segi SOSE and resi   2 and name  HG* ) 3.4 1.6 1.0
assi ( segi SH3N and resi  16 and name  HE* ) ( segi SOSE and resi   3 and name  HG* ) 3.1 1.3 0.9
assi ( segi SH3N and resi  17 and name   HA ) ( segi SH3N and resi  17 and name  HB* ) 2.6 0.8 0.8
assi ( segi SH3N and resi  17 and name   HN ) ( segi SH3N and resi  17 and name  HB* ) 2.4 0.6 0.7
assi ( segi SH3N and resi  17 and name   HA ) ( segi SH3N and resi  18 and name   HN ) 2.2 0.4 0.7
assi ( segi SH3N and resi  17 and name  HB* ) ( segi SH3N and resi  18 and name   HN ) 2.6 0.8 0.8
assi ( segi SH3N and resi  17 and name   HA ) ( segi SH3N and resi  29 and name   HA ) 3.2 1.4 1.0
assi ( segi SH3N and resi  17 and name  HB* ) ( segi SH3N and resi  29 and name   HA ) 3.1 1.3 0.9
assi ( segi SH3N and resi  17 and name   HA ) ( segi SH3N and resi  30 and name   HN ) 2.6 0.8 0.8
assi ( segi SH3N and resi  17 and name  HB* ) ( segi SH3N and resi  30 and name   HN ) 3.3 1.5 1.0
assi ( segi SH3N and resi  17 and name   HN ) ( segi SH3N and resi  30 and name   HN ) 3.1 1.3 0.9
assi ( segi SH3N and resi  17 and name   HN ) ( segi SOSE and resi   2 and name  HD* ) 3.7 1.9 1.1
assi ( segi SH3N and resi  17 and name   HN ) ( segi SOSE and resi   2 and name  HG* ) 3.2 1.4 1.0
assi ( segi SH3N and resi  18 and name   HA ) ( segi SH3N and resi  18 and name  HB1 ) 2.7 0.9 0.8
assi ( segi SH3N and resi  18 and name   HA ) ( segi SH3N and resi  18 and name  HB2 ) 2.4 0.6 0.7
assi ( segi SH3N and resi  18 and name   HA ) ( segi SH3N and resi  18 and name  HD* ) 2.4 0.6 0.7
assi ( segi SH3N and resi  18 and name  HB1 ) ( segi SH3N and resi  18 and name  HD* ) 2.7 0.9 0.8
assi ( segi SH3N and resi  18 and name  HB2 ) ( segi SH3N and resi  18 and name  HB1 ) 2.0 0.2 0.6
assi ( segi SH3N and resi  18 and name  HB2 ) ( segi SH3N and resi  18 and name  HD* ) 2.7 0.9 0.8
assi ( segi SH3N and resi  18 and name  HB2 ) ( segi SH3N and resi  18 and name  HE* ) 2.7 0.9 1.8
assi ( segi SH3N and resi  18 and name  HD* ) ( segi SH3N and resi  18 and name  HE* ) 2.6 0.8 0.8
assi ( segi SH3N and resi  18 and name   HN ) ( segi SH3N and resi  18 and name   HA ) 2.6 0.8 0.8
assi ( segi SH3N and resi  18 and name   HN ) ( segi SH3N and resi  18 and name  HB1 ) 2.9 1.1 0.9
assi ( segi SH3N and resi  18 and name   HN ) ( segi SH3N and resi  18 and name  HB2 ) 2.7 0.9 0.8
assi ( segi SH3N and resi  18 and name   HN ) ( segi SH3N and resi  18 and name  HD* ) 3.8 2.0 1.1
assi ( segi SH3N and resi  18 and name   HZ ) ( segi SH3N and resi  18 and name  HE* ) 2.4 0.6 0.7
assi ( segi SH3N and resi  18 and name   HA ) ( segi SH3N and resi  19 and name   HN ) 2.1 0.3 0.6
assi ( segi SH3N and resi  18 and name  HB1 ) ( segi SH3N and resi  19 and name   HN ) 3.3 1.5 1.0
assi ( segi SH3N and resi  18 and name  HD* ) ( segi SH3N and resi  19 and name   HN ) 2.9 1.1 0.9
assi ( segi SH3N and resi  18 and name  HE* ) ( segi SH3N and resi  19 and name   HN ) 3.8 2.0 1.1
assi ( segi SH3N and resi  18 and name   HN ) ( segi SH3N and resi  19 and name   HN ) 3.1 1.3 1.1
assi ( segi SH3N and resi  18 and name  HE* ) ( segi SH3N and resi  21 and name   HN ) 3.2 1.4 1.0
assi ( segi SH3N and resi  18 and name   HZ ) ( segi SH3N and resi  21 and name   HN ) 4.0 2.2 1.2
assi ( segi SH3N and resi  18 and name  HE* ) ( segi SH3N and resi  21 and name HG2* ) 2.9 1.1 0.9
assi ( segi SH3N and resi  18 and name   HZ ) ( segi SH3N and resi  21 and name HG2* ) 2.8 1.0 0.8
assi ( segi SH3N and resi  18 and name  HB1 ) ( segi SH3N and resi  28 and name  HD* ) 2.7 0.9 0.8
assi ( segi SH3N and resi  18 and name  HB1 ) ( segi SH3N and resi  28 and name  HE* ) 3.0 1.2 0.9
assi ( segi SH3N and resi  18 and name  HB1 ) ( segi SH3N and resi  28 and name   HZ ) 3.2 1.4 1.0
assi ( segi SH3N and resi  18 and name  HB2 ) ( segi SH3N and resi  28 and name  HD* ) 2.4 0.6 1.7
assi ( segi SH3N and resi  18 and name  HB2 ) ( segi SH3N and resi  28 and name  HE* ) 3.0 1.2 0.9
assi ( segi SH3N and resi  18 and name  HB2 ) ( segi SH3N and resi  28 and name   HZ ) 3.1 1.3 0.9
assi ( segi SH3N and resi  18 and name  HD* ) ( segi SH3N and resi  28 and name   HN ) 3.5 1.7 1.1
assi ( segi SH3N and resi  18 and name   HN ) ( segi SH3N and resi  28 and name  HD* ) 3.0 1.2 0.9
assi ( segi SH3N and resi  18 and name   HN ) ( segi SH3N and resi  28 and name   HN ) 2.8 1.0 0.8
assi ( segi SH3N and resi  18 and name   HN ) ( segi SH3N and resi  29 and name   HA ) 2.7 0.9 0.8
assi ( segi SH3N and resi  18 and name   HN ) ( segi SH3N and resi  30 and name   HN ) 2.9 1.1 0.9
assi ( segi SH3N and resi  18 and name   HZ ) ( segi SH3N and resi  45 and name  HH2 ) 3.1 1.3 0.9
assi ( segi SH3N and resi  18 and name   HZ ) ( segi SH3N and resi  45 and name  HZ3 ) 3.1 1.3 0.9
assi ( segi SH3N and resi  18 and name  HB2 ) ( segi SH3N and resi  61 and name  HE* ) 2.9 1.1 1.9
assi ( segi SH3N and resi  18 and name  HB2 ) ( segi SH3N and resi  61 and name  HD* ) 2.8 1.0 0.8
assi ( segi SH3N and resi  18 and name  HD* ) ( segi SH3N and resi  61 and name  HE* ) 2.0 0.2 0.6
assi ( segi SH3N and resi  18 and name  HD* ) ( segi SOSE and resi   5 and name HG1* ) 3.2 1.4 1.0
assi ( segi SH3N and resi  18 and name  HD* ) ( segi SOSE and resi   5 and name HG2* ) 3.0 1.2 1.9
assi ( segi SH3N and resi  18 and name  HE* ) ( segi SOSE and resi   5 and name   HB ) 3.5 1.7 1.1
assi ( segi SH3N and resi  18 and name  HE* ) ( segi SOSE and resi   5 and name HG2* ) 2.3 0.5 0.7
assi ( segi SH3N and resi  18 and name   HZ ) ( segi SOSE and resi   5 and name HG2* ) 2.3 0.5 0.7
assi ( segi SH3N and resi  19 and name   HA ) ( segi SH3N and resi  19 and name  HB* ) 2.6 0.8 0.8
assi ( segi SH3N and resi  19 and name   HA ) ( segi SH3N and resi  19 and name  HG* ) 3.5 1.7 1.1
assi ( segi SH3N and resi  19 and name  HB* ) ( segi SH3N and resi  19 and name  HG* ) 2.0 0.2 0.6
assi ( segi SH3N and resi  19 and name  HD* ) ( segi SH3N and resi  19 and name  HE* ) 2.4 0.6 0.7
assi ( segi SH3N and resi  19 and name   HN ) ( segi SH3N and resi  19 and name   HA ) 2.8 1.0 0.8
assi ( segi SH3N and resi  19 and name   HN ) ( segi SH3N and resi  19 and name  HB* ) 2.7 0.9 0.8
assi ( segi SH3N and resi  19 and name   HN ) ( segi SH3N and resi  19 and name  HD* ) 3.5 1.7 1.1
assi ( segi SH3N and resi  19 and name   HN ) ( segi SH3N and resi  19 and name  HG* ) 3.0 1.2 0.9
assi ( segi SH3N and resi  19 and name   HA ) ( segi SH3N and resi  20 and name   HN ) 2.2 0.4 0.7
assi ( segi SH3N and resi  19 and name  HB* ) ( segi SH3N and resi  20 and name   HN ) 3.6 1.8 1.1
assi ( segi SH3N and resi  19 and name  HD* ) ( segi SH3N and resi  20 and name   HN ) 3.4 1.6 1.0
assi ( segi SH3N and resi  19 and name  HG* ) ( segi SH3N and resi  20 and name   HN ) 3.4 1.6 1.0
assi ( segi SH3N and resi  19 and name   HN ) ( segi SH3N and resi  20 and name   HN ) 3.5 1.7 1.1
assi ( segi SH3N and resi  19 and name   HA ) ( segi SH3N and resi  28 and name   HN ) 3.2 1.4 1.0
assi ( segi SH3N and resi  19 and name   HN ) ( segi SH3N and resi  61 and name  HD* ) 3.5 1.7 2.1
assi ( segi SH3N and resi  19 and name   HN ) ( segi SH3N and resi  61 and name  HE* ) 3.5 1.7 2.1
assi ( segi SH3N and resi  20 and name   HA ) ( segi SH3N and resi  20 and name  HB* ) 2.4 0.6 0.7
assi ( segi SH3N and resi  20 and name   HN ) ( segi SH3N and resi  20 and name   HA ) 2.8 1.0 0.8
assi ( segi SH3N and resi  20 and name   HN ) ( segi SH3N and resi  20 and name  HB* ) 2.3 0.5 0.7
assi ( segi SH3N and resi  20 and name   HA ) ( segi SH3N and resi  21 and name   HN ) 2.1 0.3 0.6
assi ( segi SH3N and resi  20 and name  HB* ) ( segi SH3N and resi  21 and name   HA ) 3.1 1.3 0.9
assi ( segi SH3N and resi  20 and name  HB* ) ( segi SH3N and resi  21 and name   HN ) 2.9 1.1 0.9
assi ( segi SH3N and resi  20 and name   HA ) ( segi SH3N and resi  22 and name   HN ) 2.9 1.1 0.9
assi ( segi SH3N and resi  20 and name  HB* ) ( segi SH3N and resi  22 and name   HN ) 2.6 0.8 0.8
assi ( segi SH3N and resi  20 and name   HA ) ( segi SH3N and resi  25 and name  HB1 ) 2.8 1.0 0.8
assi ( segi SH3N and resi  20 and name   HA ) ( segi SH3N and resi  25 and ( name HG* or name HB2 )) 2.8 1.0 0.8  
assi ( segi SH3N and resi  20 and name  HB* ) ( segi SH3N and resi  25 and ( name HG* or name HB2 )) 2.3 0.5 1.7
assi ( segi SH3N and resi  20 and name  HB* ) ( segi SH3N and resi  25 and name   HN ) 3.1 1.3 0.9
assi ( segi SH3N and (( resi  22 and name  HB* ) or (resi  20 and name  HB* )))
     ( segi SH3N and resi  25 and name   HA ) 3.2 1.4 1.0 
assi ( segi SH3N and resi  20 and name  HB* ) ( segi SH3N and resi  26 and name   HA ) 3.8 2.0 1.1
assi ( segi SH3N and resi  20 and name  HB* ) ( segi SH3N and resi  27 and name   HN ) 2.8 1.0 1.0
assi ( segi SH3N and resi  20 and name   HN ) ( segi SH3N and resi  27 and name   HA ) 2.4 0.6 0.7
assi ( segi SH3N and resi  20 and name   HN ) ( segi SH3N and resi  27 and name  HB1 ) 3.0 1.2 1.1
assi ( segi SH3N and resi  20 and name   HN ) ( segi SH3N and resi  27 and name  HB2 ) 3.8 2.0 1.1
assi ( segi SH3N and resi  20 and name   HN ) ( segi SH3N and resi  27 and name   HN ) 3.8 2.0 1.1
assi ( segi SH3N and resi  20 and name   HN ) ( segi SH3N and resi  28 and name   HN ) 3.4 1.6 1.0
assi ( segi SH3N and resi  21 and name   HA ) ( segi SH3N and resi  21 and name HG2* ) 2.2 0.4 0.7
assi ( segi SH3N and resi  21 and name   HB ) ( segi SH3N and resi  21 and name HG2* ) 2.1 0.3 0.6
assi ( segi SH3N and resi  21 and name   HN ) ( segi SH3N and resi  21 and name   HA ) 2.8 1.0 0.8
assi ( segi SH3N and resi  21 and name   HN ) ( segi SH3N and resi  21 and name   HB ) 3.3 1.5 1.0
assi ( segi SH3N and resi  21 and name   HN ) ( segi SH3N and resi  21 and name HG2* ) 2.8 1.0 0.8
assi ( segi SH3N and resi  21 and name   HA ) ( segi SH3N and resi  22 and name   HN ) 3.2 1.4 1.0
assi ( segi SH3N and resi  21 and name   HB ) ( segi SH3N and resi  22 and name   HN ) 3.5 1.7 1.1
assi ( segi SH3N and resi  21 and name HG2* ) ( segi SH3N and resi  22 and name   HN ) 3.0 1.2 0.9
assi ( segi SH3N and resi  21 and name   HN ) ( segi SH3N and resi  22 and name   HN ) 2.3 0.5 0.7
assi ( segi SH3N and resi  21 and name   HN )
     ( segi SH3N and resi  25 and (name HG* or name HB2 ) ) 3.3 1.5 1.0 
assi ( segi SH3N and resi  21 and name   HN ) ( segi SH3N and resi  25 and name   HN ) 4.0 2.2 1.2
assi ( segi SH3N and resi  22 and name   HA ) ( segi SH3N and resi  22 and name  HB* ) 2.4 0.6 0.7
assi ( segi SH3N and resi  22 and name   HN ) ( segi SH3N and resi  22 and name   HA ) 2.3 0.5 1.7
assi ( segi SH3N and resi  22 and name   HN ) ( segi SH3N and resi  22 and name  HB* ) 2.7 0.9 0.8
assi ( segi SH3N and resi  22 and name   HA ) ( segi SH3N and resi  23 and name   HN ) 2.3 0.5 0.7
assi ( segi SH3N and resi  22 and name  HB* ) ( segi SH3N and resi  23 and name   HN ) 2.6 0.8 0.8
assi ( segi SH3N and resi  22 and name   HN ) ( segi SH3N and resi  23 and name   HN ) 3.4 1.6 1.0
assi ( segi SH3N and resi  22 and name   HN ) ( segi SH3N and resi  24 and name   HN ) 3.6 1.8 1.1
assi ( segi SH3N and resi  22 and name  HB* ) ( segi SH3N and resi  24 and name   HN ) 2.6 0.8 0.8
assi ( segi SH3N and (( resi  22 and name  HB* ) or (resi  20 and name  HB* )))
     ( segi SH3N and resi  25 and name  HB1 ) 2.5 0.7 0.8 
assi ( segi SH3N and (( resi  22 and name  HB* ) or (resi  20 and name  HB* )))
     ( segi SH3N and resi  25 and ( name  HB2 or name HG* )) 2.4 0.6 0.7 
assi ( segi SH3N and (( resi  22 and name  HB* ) or (resi  20 and name  HB* )))
     ( segi SH3N and resi  25 and  name  HN ) 2.6 0.8 0.8 
assi ( segi SH3N and resi  22 and name   HN )
     ( segi SH3N and resi  25 and (name HG* or name HB2 ) ) 2.6 0.8 0.8 
assi ( segi SH3N and resi  22 and name   HN ) ( segi SH3N and resi  25 and name  HB1 ) 2.8 1.0 0.8
assi ( segi SH3N and resi  22 and name   HN ) ( segi SH3N and resi  25 and ( name  HB2 or name HG* )) 2.7 0.9 0.8 
assi ( segi SH3N and resi  22 and name   HN ) ( segi SH3N and resi  25 and name   HN ) 3.5 1.7 1.1
assi ( segi SH3N and resi  23 and name   HA ) ( segi SH3N and resi  23 and name  HB* ) 2.1 0.3 0.6
assi ( segi SH3N and resi  23 and name   HN ) ( segi SH3N and resi  23 and name   HA ) 2.5 0.7 0.8
assi ( segi SH3N and resi  23 and name   HN ) ( segi SH3N and resi  23 and name  HB* ) 2.5 0.7 0.8
assi ( segi SH3N and resi  23 and name   HA ) ( segi SH3N and resi  24 and name   HN ) 3.2 1.4 1.0
assi ( segi SH3N and resi  23 and name  HB* ) ( segi SH3N and resi  24 and name   HN ) 2.8 1.0 0.8
assi ( segi SH3N and resi  23 and name   HN ) ( segi SH3N and resi  24 and name   HN ) 2.6 0.8 0.8
assi ( segi SH3N and resi  23 and name   HA ) ( segi SH3N and resi  25 and name   HN ) 3.2 1.4 1.0
assi ( segi SH3N and resi  23 and name  HB* ) ( segi SH3N and resi  25 and name   HN ) 3.5 1.7 1.1
assi ( segi SH3N and resi  23 and name   HN ) ( segi SH3N and resi  25 and name   HN ) 3.6 1.8 1.1
assi ( segi SH3N and resi  24 and name   HA ) ( segi SH3N and resi  24 and name  HB* ) 2.2 0.4 0.7
assi ( segi SH3N and resi  24 and name   HN ) ( segi SH3N and resi  24 and name  HB* ) 3.1 1.3 0.9
assi ( segi SH3N and resi  24 and name   HA ) ( segi SH3N and resi  25 and name   HN ) 2.8 1.0 0.8
assi ( segi SH3N and resi  24 and name  HB* ) ( segi SH3N and resi  25 and name   HN ) 3.7 1.9 1.1
assi ( segi SH3N and resi  24 and name  HB1 ) ( segi SH3N and resi  25 and name   HN ) 3.0 1.2 1.0
assi ( segi SH3N and resi  24 and name  HB2 ) ( segi SH3N and resi  25 and name   HN ) 4.0 2.2 1.3
assi ( segi SH3N and resi  24 and name   HN ) ( segi SH3N and resi  25 and name   HN ) 2.3 0.5 0.7
assi ( segi SH3N and resi  24 and name  HB2 ) ( segi SH3N and resi  56 and name  HE* ) 3.0 1.2 1.9
assi ( segi SH3N and resi  24 and name  HB1 ) ( segi SH3N and resi  56 and name  HD* ) 3.6 1.8 1.1
assi ( segi SH3N and resi  24 and name  HB1 ) ( segi SH3N and resi  56 and name  HE* ) 4.2 2.4 1.3
assi ( segi SH3N and resi  25 and name   HA ) ( segi SH3N and resi  25 and name  HB1 ) 3.0 1.2 0.9
assi ( segi SH3N and resi  25 and name   HA ) ( segi SH3N and resi  25 and name  HB2 ) 3.2 1.4 1.0
assi ( segi SH3N and resi  25 and name   HA ) 
     ( segi SH3N and resi  25 and (name HG* or name HB2 )) 2.1 0.3 0.6 
assi ( segi SH3N and resi  25 and name   HN ) ( segi SH3N and resi  25 and name   HA ) 2.9 1.1 0.9
assi ( segi SH3N and resi  25 and name   HN ) ( segi SH3N and resi  25 and name  HB* ) 2.2 0.4 0.7
assi ( segi SH3N and resi  25 and name   HN ) ( segi SH3N and resi  25 and name  HB1 ) 2.9 1.1 0.9
assi ( segi SH3N and resi  25 and name   HN ) ( segi SH3N and resi  25 and name  HB2 ) 2.8 1.0 0.8
assi ( segi SH3N and resi  25 and name   HA ) ( segi SH3N and resi  26 and name   HN ) 2.4 0.6 0.7
assi ( segi SH3N and resi  25 and name  HB* ) ( segi SH3N and resi  26 and name   HN ) 2.7 0.9 0.8
assi ( segi SH3N and resi  25 and name  HB1 ) ( segi SH3N and resi  26 and name   HN ) 2.8 1.0 0.8
assi ( segi SH3N and resi  25 and name  HB2 ) ( segi SH3N and resi  26 and name   HN ) 3.0 1.2 0.9
assi ( segi SH3N and resi  25 and name  HG* ) ( segi SH3N and resi  26 and name   HN ) 2.6 0.8 0.8
assi ( segi SH3N and resi  25 and name  HG* ) ( segi SH3N and resi  45 and name  HZ3 ) 3.2 1.4 1.0
assi ( segi SH3N and resi  25 and name   HA ) ( segi SH3N and resi  55 and name  HA* ) 3.1 1.3 0.9
assi ( segi SH3N and resi  25 and name   HA ) ( segi SH3N and resi  56 and name   HA ) 5.0 3.2 1.0
assi ( segi SH3N and resi  25 and name   HA ) ( segi SH3N and resi  56 and name  HB2 ) 2.8 1.0 0.8
assi ( segi SH3N and resi  25 and name   HA ) ( segi SH3N and resi  56 and name  HB1 ) 3.2 1.4 1.0
assi ( segi SH3N and resi  25 and name   HA ) ( segi SH3N and resi  56 and name   HN ) 2.4 0.6 0.7
assi ( segi SH3N and resi  25 and name  HG* ) ( segi SH3N and resi  56 and name  HB1 ) 3.3 1.5 1.1
assi ( segi SH3N and resi  25 and name  HG* ) ( segi SH3N and resi  56 and name   HN ) 3.6 1.8 1.1
assi ( segi SH3N and resi  25 and name   HN ) ( segi SH3N and resi  56 and name   HN ) 3.5 1.7 1.1
assi ( segi SH3N and resi  26 and name   HA ) ( segi SH3N and resi  26 and name  HB* ) 2.3 0.5 0.7
assi ( segi SH3N and resi  26 and name   HA ) ( segi SH3N and resi  26 and name   HG ) 2.4 0.6 1.7
assi ( segi SH3N and resi  26 and name  HB* ) ( segi SH3N and resi  26 and name  HD* ) 2.5 0.7 0.8
assi ( segi SH3N and resi  26 and name  HB* ) ( segi SH3N and resi  26 and name   HG ) 2.1 0.3 0.6
assi ( segi SH3N and resi  26 and name   HG ) ( segi SH3N and resi  26 and name  HD* ) 2.1 0.3 0.6
assi ( segi SH3N and resi  26 and name   HN ) ( segi SH3N and resi  26 and name   HG ) 2.9 1.1 1.9
assi ( segi SH3N and resi  26 and name   HA ) ( segi SH3N and resi  27 and name  HB2 ) 2.6 0.8 1.8
assi ( segi SH3N and resi  26 and name   HA ) ( segi SH3N and resi  27 and name   HN ) 2.0 0.2 0.6
assi ( segi SH3N and resi  26 and name  HB1 ) ( segi SH3N and resi  27 and name   HN ) 3.0 1.2 1.0
assi ( segi SH3N and resi  26 and name  HB2 ) ( segi SH3N and resi  27 and name   HN ) 2.8 1.2 1.0
assi ( segi SH3N and resi  26 and name  HD* ) ( segi SH3N and resi  27 and name   HN ) 2.7 0.9 0.8
assi ( segi SH3N and resi  26 and name  HD* ) ( segi SH3N and resi  34 and name  HD* ) 3.4 1.6 1.0
assi ( segi SH3N and resi  26 and name HD1* ) ( segi SH3N and resi  49 and name   HA ) 3.3 1.5 1.1
assi ( segi SH3N and resi  26 and name HD2* ) ( segi SH3N and resi  49 and name   HA ) 3.3 1.5 1.1
assi ( segi SH3N and resi  26 and name HD2* ) ( segi SH3N and resi  48 and name   HN ) 3.5 1.7 1.1
assi ( segi SH3N and resi  26 and name HD1* ) ( segi SH3N and resi  50 and name   HN ) 3.2 1.4 1.0
assi ( segi SH3N and resi  26 and name HD2* ) ( segi SH3N and resi  50 and name   HN ) 3.2 1.4 1.0
assi ( segi SH3N and resi  26 and name  HD* ) ( segi SH3N and resi  50 and name  HB1 ) 3.2 1.4 1.0
assi ( segi SH3N and resi  26 and name  HD* ) ( segi SH3N and resi  50 and name  HB2 ) 3.2 1.4 1.0
assi ( segi SH3N and resi  26 and name  HD* ) ( segi SH3N and resi  53 and name  HB1 ) 2.7 0.9 0.8
assi ( segi SH3N and resi  26 and name  HD* ) ( segi SH3N and resi  53 and name  HB2 ) 2.6 0.8 0.7
assi ( segi SH3N and resi  26 and name HD1* ) ( segi SH3N and resi  53 and name   HN ) 3.5 1.7 1.1
assi ( segi SH3N and resi  26 and name HD2* ) ( segi SH3N and resi  53 and name   HN ) 3.5 1.7 1.1
assi ( segi SH3N and resi  26 and name  HD* ) ( segi SH3N and resi  54 and name   HN ) 3.7 1.9 1.1
assi ( segi SH3N and resi  26 and name   HG ) ( segi SH3N and resi  55 and name  HA* ) 3.0 1.2 0.9
assi ( segi SH3N and resi  26 and name HD2* ) ( segi SH3N and resi  55 and name   HN ) 3.2 1.4 1.1
assi ( segi SH3N and resi  26 and name HD1* ) ( segi SH3N and resi  55 and name   HN ) 3.2 1.4 1.1
assi ( segi SH3N and resi  26 and name   HN ) ( segi SH3N and resi  55 and name  HA2 ) 3.6 1.8 1.1
assi ( segi SH3N and resi  26 and name   HN ) ( segi SH3N and resi  55 and name  HA1 ) 3.2 1.4 1.1
assi ( segi SH3N and resi  26 and name   HN ) ( segi SH3N and resi  56 and name   HN ) 2.9 1.1 0.9
assi ( segi SH3N and resi  26 and name  HD* ) ( segi SH3N and resi  57 and name HG2* ) 2.5 0.7 0.8
assi ( segi SH3N and resi  26 and name   HN ) ( segi SH3N and resi  57 and name HG2* ) 2.7 0.9 0.8
assi ( segi SH3N and resi  27 and name   HA ) ( segi SH3N and resi  27 and name  HB1 ) 2.5 0.7 0.8
assi ( segi SH3N and resi  27 and name  HB1 ) ( segi SH3N and resi  27 and name  HB2 ) 2.0 0.2 0.6
assi ( segi SH3N and resi  27 and name   HN ) ( segi SH3N and resi  27 and name  HB1 ) 3.0 1.2 0.9
assi ( segi SH3N and resi  27 and name   HN ) ( segi SH3N and resi  27 and name  HB2 ) 2.6 0.8 0.8
assi ( segi SH3N and resi  27 and name   HA ) ( segi SH3N and resi  28 and name   HN ) 2.1 0.3 0.6
assi ( segi SH3N and resi  27 and name  HB1 ) ( segi SH3N and resi  28 and name   HN ) 2.8 1.0 0.8
assi ( segi SH3N and resi  27 and name  HB2 ) ( segi SH3N and resi  28 and name   HN ) 2.9 1.1 1.9
assi ( segi SH3N and resi  27 and name   HN ) ( segi SH3N and resi  28 and name   HN ) 3.4 1.6 2.0
assi ( segi SH3N and resi  28 and name   HA ) ( segi SH3N and resi  28 and name  HB* ) 2.4 0.6 0.7
assi ( segi SH3N and resi  28 and name   HA ) ( segi SH3N and resi  28 and name  HD* ) 3.0 1.2 0.9
assi ( segi SH3N and resi  28 and name  HB* ) ( segi SH3N and resi  28 and name  HD* ) 2.2 0.4 0.7
assi ( segi SH3N and resi  28 and name  HD* ) ( segi SH3N and resi  28 and name  HE* ) 2.2 0.4 0.7
assi ( segi SH3N and resi  28 and name   HN ) ( segi SH3N and resi  28 and name   HA ) 2.7 0.9 0.8
assi ( segi SH3N and resi  28 and name   HN ) ( segi SH3N and resi  28 and name  HB* ) 2.9 1.1 0.9
assi ( segi SH3N and resi  28 and name   HN ) ( segi SH3N and resi  28 and name  HD* ) 2.7 0.9 0.8
assi ( segi SH3N and resi  28 and name   HN ) ( segi SH3N and resi  28 and name  HE* ) 3.5 1.7 1.1
assi ( segi SH3N and resi  28 and name   HZ ) ( segi SH3N and resi  28 and name  HD* ) 2.9 1.1 0.9
assi ( segi SH3N and resi  28 and name   HZ ) ( segi SH3N and resi  28 and name  HE* ) 2.2 0.4 0.7
assi ( segi SH3N and resi  28 and name   HA ) ( segi SH3N and resi  29 and name   HN ) 2.3 0.5 0.7
assi ( segi SH3N and resi  28 and name  HB* ) ( segi SH3N and resi  29 and name   HN ) 2.5 0.7 0.8
assi ( segi SH3N and resi  28 and name  HD* ) ( segi SH3N and resi  29 and name   HN ) 3.0 1.2 0.9
assi ( segi SH3N and resi  28 and name   HN ) ( segi SH3N and resi  29 and name   HN ) 3.4 1.6 1.0
assi ( segi SH3N and resi  28 and name   HA ) ( segi SH3N and resi  32 and name  HB1 ) 3.9 2.1 1.2
assi ( segi SH3N and resi  28 and name   HA ) ( segi SH3N and resi  32 and name  HB2 ) 3.4 1.6 1.0
assi ( segi SH3N and resi  28 and name  HB* ) ( segi SH3N and resi  32 and name  HB1 ) 3.1 1.3 0.9
assi ( segi SH3N and resi  28 and name  HB* ) ( segi SH3N and resi  32 and name  HB2 ) 2.1 0.3 0.6
assi ( segi SH3N and resi  28 and name  HB* ) ( segi SH3N and resi  32 and name   HN ) 2.7 0.9 0.8
assi ( segi SH3N and resi  28 and name  HD* ) ( segi SH3N and resi  32 and name  HB2 ) 3.9 2.1 1.2
assi ( segi SH3N and resi  28 and name  HB* ) ( segi SH3N and resi  34 and name  HD* ) 2.9 1.1 0.9
assi ( segi SH3N and resi  28 and name  HD* ) ( segi SH3N and resi  34 and name  HD* ) 3.4 1.6 1.0
assi ( segi SH3N and resi  28 and name  HE* ) ( segi SH3N and resi  34 and name  HD* ) 3.5 1.7 1.1
assi ( segi SH3N and resi  28 and name   HA ) ( segi SH3N and resi  50 and name HD1* ) 2.4 0.6 0.7
assi ( segi SH3N and resi  28 and name  HB* ) ( segi SH3N and resi  50 and name HD1* ) 2.4 0.6 0.7
assi ( segi SH3N and resi  28 and name  HD* ) ( segi SH3N and resi  57 and name   HB ) 2.7 0.9 1.8
assi ( segi SH3N and resi  28 and name  HD* ) ( segi SH3N and resi  57 and name HG2* ) 3.7 1.9 1.1
assi ( segi SH3N and resi  28 and name  HE* ) ( segi SH3N and resi  57 and name   HA ) 3.1 1.3 0.9
assi ( segi SH3N and resi  28 and name  HE* ) ( segi SH3N and resi  57 and name   HB ) 2.3 0.5 0.7
assi ( segi SH3N and resi  28 and name  HE* ) ( segi SH3N and resi  57 and name HD1* ) 3.0 1.2 0.9
assi ( segi SH3N and resi  28 and name  HE* ) ( segi SH3N and resi  57 and name HG2* ) 3.0 1.2 0.9
assi ( segi SH3N and resi  28 and name  HE* ) ( segi SH3N and resi  58 and name  HD1 ) 2.7 0.9 0.8
assi ( segi SH3N and resi  28 and name   HZ ) ( segi SH3N and resi  58 and name  HD1 ) 3.2 1.4 1.0
assi ( segi SH3N and resi  28 and name   HZ ) ( segi SH3N and resi  58 and name  HD2 ) 2.7 0.9 0.8
assi ( segi SH3N and resi  28 and name   HZ ) ( segi SH3N and resi  58 and name  HG1 ) 4.0 2.2 1.2
assi ( segi SH3N and resi  28 and name   HZ ) ( segi SH3N and resi  58 and name  HG2 ) 3.3 1.5 1.0
assi ( segi SH3N and resi  28 and name  HE* ) ( segi SH3N and resi  61 and name  HB1 ) 2.9 1.1 0.9
assi ( segi SH3N and resi  28 and name  HE* ) ( segi SH3N and resi  61 and name  HB2 ) 2.9 1.1 1.9
assi ( segi SH3N and resi  28 and name   HZ ) ( segi SH3N and resi  61 and name  HB1 ) 2.6 0.8 0.8
assi ( segi SH3N and resi  28 and name   HZ ) ( segi SH3N and resi  61 and name  HB2 ) 2.7 0.9 0.8
assi ( segi SH3N and resi  28 and name  HE* ) ( segi SH3N and resi  62 and name HG2* ) 3.3 1.5 1.0
assi ( segi SH3N and resi  29 and name   HA ) ( segi SH3N and resi  29 and name  HB* ) 2.1 0.3 0.6
assi ( segi SH3N and resi  29 and name   HA ) ( segi SH3N and resi  29 and name  HD* ) 3.9 2.1 1.2
assi ( segi SH3N and resi  29 and name   HA ) ( segi SH3N and resi  29 and name  HG* ) 2.2 0.4 0.7
assi ( segi SH3N and resi  29 and name  HB* ) ( segi SH3N and resi  29 and name  HG* ) 2.0 0.2 0.6
assi ( segi SH3N and resi  29 and name  HD* ) ( segi SH3N and resi  29 and name  HE* ) 2.4 0.6 0.7
assi ( segi SH3N and resi  29 and name  HG* ) ( segi SH3N and resi  29 and name  HD* ) 2.0 0.2 0.6
assi ( segi SH3N and resi  29 and name  HG* ) ( segi SH3N and resi  29 and name  HE* ) 2.6 0.8 0.8
assi ( segi SH3N and resi  29 and name   HN ) ( segi SH3N and resi  29 and name   HA ) 2.9 1.1 0.9
assi ( segi SH3N and resi  29 and name   HN ) ( segi SH3N and resi  29 and name  HB* ) 2.6 0.8 0.8
assi ( segi SH3N and resi  29 and name   HN ) ( segi SH3N and resi  29 and name  HD* ) 3.3 1.5 1.0
assi ( segi SH3N and resi  29 and name   HN ) ( segi SH3N and resi  29 and name  HG* ) 3.3 1.5 1.0
assi ( segi SH3N and resi  29 and name   HA ) ( segi SH3N and resi  30 and name   HN ) 2.2 0.4 0.7
assi ( segi SH3N and resi  29 and name  HB* ) ( segi SH3N and resi  30 and name   HN ) 2.6 0.8 0.8
assi ( segi SH3N and resi  29 and name  HG* ) ( segi SH3N and resi  30 and name   HN ) 3.7 1.9 1.1
assi ( segi SH3N and resi  29 and name   HN ) ( segi SH3N and resi  30 and name   HN ) 3.4 1.6 1.0
assi ( segi SH3N and resi  29 and name   HN ) ( segi SH3N and resi  32 and name  HB1 ) 3.4 1.6 1.0
assi ( segi SH3N and resi  29 and name   HN ) ( segi SH3N and resi  32 and name  HB2 ) 2.9 1.1 0.9
assi ( segi SH3N and resi  29 and name   HN ) ( segi SH3N and resi  32 and name   HN ) 3.3 1.5 1.0
assi ( segi SH3N and resi  29 and name  HE* ) ( segi SH3N and resi  50 and name  HD* ) 3.4 1.6 1.0
assi ( segi SH3N and resi  29 and name   HN ) ( segi SH3N and resi  50 and name  HD* ) 3.9 2.1 1.2
assi ( segi SH3N and resi  30 and name   HA ) ( segi SH3N and resi  30 and name  HB* ) 2.2 0.4 0.7
assi ( segi SH3N and resi  30 and name   HA ) ( segi SH3N and resi  30 and name  HG* ) 2.3 0.5 0.7
assi ( segi SH3N and resi  30 and name  HB* ) ( segi SH3N and resi  30 and name  HD* ) 2.8 1.0 0.8
assi ( segi SH3N and resi  30 and name  HG* ) ( segi SH3N and resi  30 and name  HD* ) 2.1 0.3 0.6
assi ( segi SH3N and resi  30 and name   HN ) ( segi SH3N and resi  30 and name   HA ) 2.6 0.8 0.8
assi ( segi SH3N and resi  30 and name   HN ) ( segi SH3N and resi  30 and name  HB* ) 2.5 0.7 0.8
assi ( segi SH3N and resi  30 and name   HN ) ( segi SH3N and resi  30 and name  HD* ) 3.7 1.9 1.1
assi ( segi SH3N and resi  30 and name   HN ) ( segi SH3N and resi  30 and name  HG* ) 3.1 1.3 0.9
assi ( segi SH3N and resi  30 and name   HA ) ( segi SH3N and resi  31 and name   HN ) 2.0 0.2 0.6
assi ( segi SH3N and resi  30 and name  HB* ) ( segi SH3N and resi  31 and name   HN ) 3.5 1.7 1.1
assi ( segi SH3N and resi  30 and name  HD* ) ( segi SH3N and resi  31 and name   HN ) 3.6 1.8 1.1
assi ( segi SH3N and resi  30 and name  HG* ) ( segi SH3N and resi  31 and name   HN ) 2.7 0.9 0.8
assi ( segi SH3N and resi  30 and name   HN ) ( segi SH3N and resi  31 and name   HN ) 3.4 1.6 1.0
assi ( segi SH3N and resi  30 and name   HA ) ( segi SH3N and resi  32 and name   HN ) 3.1 1.3 0.9
assi ( segi SH3N and resi  31 and name   HN ) ( segi SH3N and resi  31 and name  HA* ) 2.5 0.7 0.8
assi ( segi SH3N and resi  31 and name  HA* ) ( segi SH3N and resi  32 and name   HN ) 3.1 1.3 0.9
assi ( segi SH3N and resi  31 and name   HN ) ( segi SH3N and resi  32 and name   HA ) 3.7 1.9 1.1
assi ( segi SH3N and resi  31 and name   HN ) ( segi SH3N and resi  32 and name   HN ) 2.7 0.9 0.8
assi ( segi SH3N and resi  32 and name   HA ) ( segi SH3N and resi  32 and name  HB1 ) 2.0 0.2 0.6
assi ( segi SH3N and resi  32 and name   HA ) ( segi SH3N and resi  32 and name  HB2 ) 2.5 0.7 0.8
assi ( segi SH3N and resi  32 and name  HB2 ) ( segi SH3N and resi  32 and name  HB1 ) 2.0 0.2 0.6
assi ( segi SH3N and resi  32 and name   HN ) ( segi SH3N and resi  32 and name   HA ) 2.4 0.6 1.7
assi ( segi SH3N and resi  32 and name   HN ) ( segi SH3N and resi  32 and name  HB1 ) 2.7 0.9 0.8
assi ( segi SH3N and resi  32 and name   HN ) ( segi SH3N and resi  32 and name  HB2 ) 2.4 0.6 0.7
assi ( segi SH3N and resi  32 and name   HA ) ( segi SH3N and resi  33 and name   HN ) 2.0 0.2 0.6
assi ( segi SH3N and resi  32 and name  HB1 ) ( segi SH3N and resi  33 and name   HN ) 2.8 1.0 0.8
assi ( segi SH3N and resi  32 and name  HB2 ) ( segi SH3N and resi  33 and name   HN ) 3.3 1.5 1.0
assi ( segi SH3N and resi  32 and name  HB1 ) ( segi SH3N and resi  34 and name HD1* ) 2.5 0.7 1.0
assi ( segi SH3N and resi  32 and name  HB1 ) ( segi SH3N and resi  34 and name HD2* ) 3.2 1.4 1.0
assi ( segi SH3N and resi  32 and name  HB1 ) ( segi SH3N and resi  50 and name HD2* ) 3.0 1.2 0.9
assi ( segi SH3N and resi  33 and name   HA ) ( segi SH3N and resi  33 and name   HB ) 3.0 1.2 0.9
assi ( segi SH3N and resi  33 and name   HA ) ( segi SH3N and resi  33 and name HD1* ) 6.0 4.2 1.8
assi ( segi SH3N and resi  33 and name   HA ) ( segi SH3N and resi  33 and name HG2* ) 2.7 0.9 0.8
assi ( segi SH3N and resi  33 and name   HB ) ( segi SH3N and resi  33 and name HG1* ) 2.0 0.2 0.6
assi ( segi SH3N and resi  33 and name HG1* ) ( segi SH3N and resi  33 and name HD1* ) 2.2 0.4 0.7
assi ( segi SH3N and resi  33 and name HG2* ) ( segi SH3N and resi  33 and name HG1* ) 2.3 0.5 0.7
assi ( segi SH3N and resi  33 and name   HN ) ( segi SH3N and resi  33 and name   HB ) 2.3 0.5 0.7
assi ( segi SH3N and resi  33 and name   HN ) ( segi SH3N and resi  33 and name HG1* ) 2.5 0.7 0.8
assi ( segi SH3N and resi  33 and name   HA ) ( segi SH3N and resi  34 and name   HN ) 2.1 0.3 0.6
assi ( segi SH3N and resi  33 and name   HN ) ( segi SH3N and resi  50 and name HD2* ) 3.2 1.4 1.0
assi ( segi SH3N and resi  34 and name   HA ) ( segi SH3N and resi  34 and name  HB* ) 2.4 0.6 0.7
assi ( segi SH3N and resi  34 and name   HA ) ( segi SH3N and resi  34 and name  HD* ) 2.6 0.8 0.8
assi ( segi SH3N and resi  34 and name  HB* ) ( segi SH3N and resi  34 and name  HD* ) 2.2 0.4 0.7
assi ( segi SH3N and resi  34 and name   HG ) ( segi SH3N and resi  34 and name  HD* ) 2.7 0.9 0.8
assi ( segi SH3N and resi  34 and name   HN ) ( segi SH3N and resi  34 and name   HA ) 2.7 0.9 0.8
assi ( segi SH3N and resi  34 and name   HN ) ( segi SH3N and resi  34 and name  HB* ) 2.5 0.7 0.8
assi ( segi SH3N and resi  34 and name   HN ) ( segi SH3N and resi  34 and name  HD* ) 2.9 1.1 0.9
assi ( segi SH3N and resi  34 and name   HN ) ( segi SH3N and resi  34 and name   HG ) 3.1 1.3 0.9
assi ( segi SH3N and resi  34 and name   HA ) ( segi SH3N and resi  35 and name   HN ) 2.0 0.2 0.6
assi ( segi SH3N and resi  34 and name  HB* ) ( segi SH3N and resi  35 and name   HN ) 2.8 1.0 0.8
assi ( segi SH3N and resi  34 and name  HD* ) ( segi SH3N and resi  35 and name   HN ) 3.0 1.2 0.9
assi ( segi SH3N and resi  34 and name   HG ) ( segi SH3N and resi  35 and name   HN ) 2.9 1.1 0.9
assi ( segi SH3N and resi  34 and name   HN ) ( segi SH3N and resi  35 and name   HN ) 3.3 1.5 2.0
assi ( segi SH3N and resi  34 and name  HB* ) ( segi SH3N and resi  36 and name  HG* ) 2.3 0.5 0.7
assi ( segi SH3N and resi  34 and name HD1* ) ( segi SH3N and resi  50 and name   HG ) 3.0 1.2 0.9
assi ( segi SH3N and resi  34 and name  HD* ) ( segi SH3N and resi  50 and name  HB* ) 3.0 1.2 0.9
assi ( segi SH3N and resi  34 and name  HD* ) ( segi SH3N and resi  50 and name  HB* ) 3.0 1.2 0.9
assi ( segi SH3N and resi  34 and name  HD* ) ( segi SH3N and resi  50 and name  HD* ) 2.7 0.9 0.8
assi ( segi SH3N and resi  34 and name  HD* ) ( segi SH3N and resi  57 and name HD1* ) 2.3 0.5 0.7
assi ( segi SH3N and resi  34 and name  HD* ) ( segi SH3N and resi  57 and name HG2* ) 2.8 1.0 0.8
assi ( segi SH3N and resi  34 and name  HD* ) ( segi SH3N and resi  62 and name   HB ) 3.4 1.6 1.0
assi ( segi SH3N and resi  34 and name  HD* ) ( segi SH3N and resi  62 and name HD1* ) 2.9 1.1 0.9
assi ( segi SH3N and resi  34 and name  HD* ) ( segi SH3N and resi  62 and name HG1* ) 2.8 1.0 0.8
assi ( segi SH3N and resi  35 and name  HG* ) ( segi SH3N and resi  35 and name  HD* ) 2.0 0.2 0.6
assi ( segi SH3N and resi  35 and name  HG* ) ( segi SH3N and resi  35 and name  HE* ) 3.8 2.0 1.1
assi ( segi SH3N and resi  35 and name   HN ) ( segi SH3N and resi  35 and name   HA ) 2.2 0.4 1.7
assi ( segi SH3N and resi  35 and name   HN ) ( segi SH3N and resi  35 and name  HB* ) 2.3 0.5 0.7
assi ( segi SH3N and resi  35 and name   HA ) ( segi SH3N and resi  36 and name   HN ) 2.1 0.3 0.6
assi ( segi SH3N and resi  35 and name  HE* ) ( segi SH3N and resi  36 and name   HN ) 3.5 1.7 1.1
assi ( segi SH3N and resi  35 and name  HG* ) ( segi SH3N and resi  36 and name   HN ) 3.4 1.6 1.0
assi ( segi SH3N and resi  35 and name   HN ) ( segi SH3N and resi  36 and name   HN ) 3.4 1.6 1.0
assi ( segi SH3N and resi  35 and name   HN ) ( segi SH3N and resi  48 and name   HA ) 3.6 1.8 1.1
assi ( segi SH3N and resi  35 and name   HA ) ( segi SH3N and resi  49 and name   HN ) 3.1 1.3 0.9
assi ( segi SH3N and resi  35 and name   HN ) ( segi SH3N and resi  49 and name   HN ) 2.7 0.9 0.8
assi ( segi SH3N and resi  35 and name   HN ) ( segi SH3N and resi  50 and name  HD* ) 3.4 1.6 1.0
assi ( segi SH3N and resi  36 and name   HA ) ( segi SH3N and resi  36 and name   HB ) 2.8 1.0 0.8
assi ( segi SH3N and resi  36 and name   HA ) ( segi SH3N and resi  36 and name  HG* ) 2.1 0.3 0.6
assi ( segi SH3N and resi  36 and name   HB ) ( segi SH3N and resi  36 and name  HG* ) 2.0 0.2 0.6
assi ( segi SH3N and resi  36 and name   HN ) ( segi SH3N and resi  36 and name   HA ) 2.8 1.0 0.8
assi ( segi SH3N and resi  36 and name   HN ) ( segi SH3N and resi  36 and name   HB ) 2.3 0.5 0.7
assi ( segi SH3N and resi  36 and name   HN ) ( segi SH3N and resi  36 and name  HG* ) 2.5 0.7 0.8
assi ( segi SH3N and resi  36 and name   HA ) ( segi SH3N and resi  37 and name   HN ) 2.1 0.3 0.6
assi ( segi SH3N and resi  36 and name  HG* ) ( segi SH3N and resi  37 and name   HN ) 2.7 0.9 0.8
assi ( segi SH3N and resi  36 and name  HG* ) ( segi SH3N and resi  46 and name  HB1 ) 2.8 1.0 0.8
assi ( segi SH3N and resi  36 and name  HG* ) ( segi SH3N and resi  46 and name  HB2 ) 3.3 1.5 1.0
assi ( segi SH3N and resi  36 and name  HG* ) ( segi SH3N and resi  46 and name  HD* ) 3.0 1.2 0.9
assi ( segi SH3N and resi  36 and name   HA ) ( segi SH3N and resi  48 and name   HA ) 2.3 0.5 0.7
assi ( segi SH3N and resi  36 and name   HA ) ( segi SH3N and resi  49 and name   HN ) 3.1 1.3 0.9
assi ( segi SH3N and resi  37 and name  HB* ) ( segi SH3N and resi  48 and name   HA ) 2.5 0.7 0.8
assi ( segi SH3N and resi  37 and name   HN ) ( segi SH3N and resi  48 and name   HA ) 2.6 0.8 0.8
assi ( segi SH3N and resi  37 and name  HB* ) ( segi SH3N and resi  49 and name  HB* ) 2.8 1.0 0.8
assi ( segi SH3N and resi  38 and name   HA ) ( segi SH3N and resi  38 and name  HB* ) 2.5 0.7 0.8
assi ( segi SH3N and resi  38 and name  HB* ) ( segi SH3N and resi  38 and name HD2* ) 2.9 1.1 0.9
assi ( segi SH3N and resi  38 and name  HB* ) ( segi SH3N and resi  47 and name  HB* ) 3.0 1.2 0.9
assi ( segi SH3N and resi  39 and name   HA ) ( segi SH3N and resi  39 and name  HB* ) 2.1 0.3 0.6
assi ( segi SH3N and resi  39 and name   HA ) ( segi SH3N and resi  40 and name   HN ) 2.3 0.5 0.7
assi ( segi SH3N and resi  39 and name  HB* ) ( segi SH3N and resi  40 and name   HN ) 3.4 1.6 1.0
assi ( segi SH3N and resi  39 and name   HA ) ( segi SH3N and resi  46 and name   HA ) 3.1 1.3 0.9
assi ( segi SH3N and resi  39 and name   HA ) ( segi SH3N and resi  46 and name  HD* ) 3.0 1.2 0.9
assi ( segi SH3N and resi  39 and name  HB* ) ( segi SH3N and resi  46 and name  HE* ) 2.4 0.6 0.7
assi ( segi SH3N and resi  40 and name   HA ) ( segi SH3N and resi  40 and name  HB* ) 2.5 0.7 0.8
assi ( segi SH3N and resi  40 and name   HA ) ( segi SH3N and resi  40 and name  HG* ) 2.4 0.6 0.7
assi ( segi SH3N and resi  40 and name   HN ) ( segi SH3N and resi  40 and name  HB* ) 2.6 0.8 0.8
assi ( segi SH3N and resi  40 and name   HN ) ( segi SH3N and resi  40 and name  HG* ) 2.8 1.0 0.8
assi ( segi SH3N and resi  40 and name   HA ) ( segi SH3N and resi  41 and name   HN ) 2.1 0.3 0.6
assi ( segi SH3N and resi  40 and name  HB* ) ( segi SH3N and resi  41 and name   HN ) 3.2 1.4 1.0
assi ( segi SH3N and resi  40 and name  HG* ) ( segi SH3N and resi  41 and name   HN ) 3.0 1.2 0.9
assi ( segi SH3N and resi  40 and name   HN ) ( segi SH3N and resi  41 and name   HN ) 2.8 1.0 0.8
assi ( segi SH3N and resi  40 and name   HN ) ( segi SH3N and resi  42 and name   HN ) 3.1 1.3 0.9
assi ( segi SH3N and resi  41 and name   HN ) ( segi SH3N and resi  41 and name  HB* ) 3.2 1.4 1.0
assi ( segi SH3N and resi  41 and name   HN ) ( segi SH3N and resi  42 and name   HN ) 2.5 0.7 0.8
assi ( segi SH3N and resi  42 and name   HA ) ( segi SH3N and resi  42 and name  HB1 ) 2.8 1.0 0.8
assi ( segi SH3N and resi  42 and name   HA ) ( segi SH3N and resi  42 and name  HB2 ) 2.4 0.6 0.7
assi ( segi SH3N and resi  42 and name  HB1 ) ( segi SH3N and resi  42 and name  HB2 ) 2.0 0.2 0.6
assi ( segi SH3N and resi  42 and name   HN ) ( segi SH3N and resi  42 and name   HA ) 2.1 0.3 1.6
assi ( segi SH3N and resi  42 and name   HN ) ( segi SH3N and resi  42 and name  HB1 ) 3.1 1.3 0.9
assi ( segi SH3N and resi  42 and name   HN ) ( segi SH3N and resi  42 and name  HB2 ) 2.8 1.0 0.8
assi ( segi SH3N and resi  42 and name   HA ) ( segi SH3N and resi  43 and name   HN ) 2.0 0.2 0.6
assi ( segi SH3N and resi  42 and name  HB1 ) ( segi SH3N and resi  43 and name   HN ) 3.2 1.4 1.0
assi ( segi SH3N and resi  42 and name  HB2 ) ( segi SH3N and resi  43 and name   HN ) 3.2 1.4 1.0
assi ( segi SH3N and resi  42 and name  HB2 ) ( segi SH3N and resi  45 and name  HD1 ) 3.1 1.3 0.9
assi ( segi SH3N and resi  43 and name   HA ) ( segi SH3N and resi  43 and name  HB* ) 2.3 0.5 0.7
assi ( segi SH3N and resi  43 and name   HA ) ( segi SH3N and resi  43 and name  HG* ) 2.7 0.9 0.8
assi ( segi SH3N and resi  43 and name  HB* ) ( segi SH3N and resi  43 and name  HG* ) 2.0 0.2 0.6
assi ( segi SH3N and resi  43 and name  HG* ) ( segi SH3N and resi  43 and name HE2* ) 3.1 1.3 0.9
assi ( segi SH3N and resi  43 and name   HN ) ( segi SH3N and resi  43 and name   HA ) 2.6 0.8 0.8
assi ( segi SH3N and resi  43 and name   HN ) ( segi SH3N and resi  43 and name  HB* ) 2.1 0.3 0.6
assi ( segi SH3N and resi  43 and name   HN ) ( segi SH3N and resi  43 and name  HG* ) 2.8 1.0 0.8
assi ( segi SH3N and resi  43 and name   HA ) ( segi SH3N and resi  44 and name   HN ) 2.6 0.8 0.8
assi ( segi SH3N and resi  43 and name  HB* ) ( segi SH3N and resi  44 and name   HN ) 2.9 1.1 0.9
assi ( segi SH3N and resi  43 and name  HG* ) ( segi SH3N and resi  44 and name   HN ) 3.4 1.6 1.0
assi ( segi SH3N and resi  43 and name   HN ) ( segi SH3N and resi  44 and name   HN ) 3.0 1.2 0.9
assi ( segi SH3N and resi  43 and name   HA ) ( segi SH3N and resi  45 and name   HN ) 3.7 1.9 1.1
assi ( segi SH3N and resi  43 and name   HN ) ( segi SH3N and resi  45 and name  HD1 ) 3.9 2.1 1.2
assi ( segi SH3N and resi  43 and name   HN ) ( segi SH3N and resi  45 and name   HN ) 3.9 2.1 1.2
assi ( segi SH3N and resi  44 and name   HA ) ( segi SH3N and resi  44 and name  HB1 ) 2.6 0.8 0.8
assi ( segi SH3N and resi  44 and name   HA ) ( segi SH3N and resi  44 and name  HB2 ) 2.6 0.8 0.8
assi ( segi SH3N and resi  44 and name  HB1 ) ( segi SH3N and resi  44 and name HD21 ) 2.7 0.9 0.8
assi ( segi SH3N and resi  44 and name  HB1 ) ( segi SH3N and resi  44 and name HD22 ) 3.6 1.8 1.1
assi ( segi SH3N and resi  44 and name  HB2 ) ( segi SH3N and resi  44 and name  HB1 ) 2.0 0.2 0.6
assi ( segi SH3N and resi  44 and name  HB2 ) ( segi SH3N and resi  44 and name HD21 ) 2.5 0.7 0.8
assi ( segi SH3N and resi  44 and name  HB2 ) ( segi SH3N and resi  44 and name HD22 ) 3.2 1.4 1.0
assi ( segi SH3N and resi  44 and name HD21 ) ( segi SH3N and resi  44 and name HD22 ) 2.2 0.4 0.7
assi ( segi SH3N and resi  44 and name   HN ) ( segi SH3N and resi  44 and name   HA ) 2.6 0.8 0.8
assi ( segi SH3N and resi  44 and name   HN ) ( segi SH3N and resi  44 and name  HB1 ) 3.0 1.2 0.9
assi ( segi SH3N and resi  44 and name   HN ) ( segi SH3N and resi  44 and name  HB2 ) 2.8 1.0 0.8
assi ( segi SH3N and resi  44 and name   HN ) ( segi SH3N and resi  44 and name HD22 ) 5.0 3.2 1.5
assi ( segi SH3N and resi  44 and name  HB1 ) ( segi SH3N and resi  45 and name  HD1 ) 2.7 0.9 0.8
assi ( segi SH3N and resi  44 and name  HB1 ) ( segi SH3N and resi  45 and name   HN ) 2.9 1.1 0.9
assi ( segi SH3N and resi  44 and name  HB2 ) ( segi SH3N and resi  45 and name  HD1 ) 2.6 0.8 0.8
assi ( segi SH3N and resi  44 and name  HB2 ) ( segi SH3N and resi  45 and name  HE1 ) 3.4 1.6 1.0
assi ( segi SH3N and resi  44 and name  HB2 ) ( segi SH3N and resi  45 and name   HN ) 3.1 1.3 0.9
assi ( segi SH3N and resi  44 and name   HN ) ( segi SH3N and resi  45 and name  HD1 ) 3.2 1.4 1.0
assi ( segi SH3N and resi  44 and name   HN ) ( segi SH3N and resi  45 and name   HN ) 2.5 0.7 0.8
assi ( segi SH3N and resi  44 and name   HN ) ( segi SH3N and resi  59 and name   HN ) 3.5 1.7 1.1
assi ( segi SH3N and resi  44 and name  HB1 ) ( segi SOSE and resi   6 and name  HB1 ) 3.1 1.3 0.9
assi ( segi SH3N and resi  44 and name  HB1 ) ( segi SOSE and resi   6 and name  HB2 ) 2.7 0.9 0.8
assi ( segi SH3N and resi  44 and name  HB1 ) ( segi SOSE and resi   6 and name  HG* ) 2.8 1.0 0.8
assi ( segi SH3N and resi  44 and name  HB2 ) ( segi SOSE and resi   6 and name  HB1 ) 3.1 1.3 0.9
assi ( segi SH3N and resi  44 and name  HB2 ) ( segi SOSE and resi   6 and name  HB2 ) 2.9 1.1 0.9
assi ( segi SH3N and resi  44 and name HD21 ) ( segi SOSE and resi   6 and name  HB1 ) 3.0 1.2 0.9
assi ( segi SH3N and resi  44 and name HD21 ) ( segi SOSE and resi   6 and name  HB2 ) 2.9 1.1 0.9
assi ( segi SH3N and resi  44 and name HD22 ) ( segi SOSE and resi   6 and name  HB1 ) 3.3 1.5 1.0
assi ( segi SH3N and resi  44 and name HD22 ) ( segi SOSE and resi   6 and name  HB2 ) 3.2 1.4 1.0
assi ( segi SH3N and resi  44 and name HD21 ) ( segi SOSE and resi   7 and name  HD* ) 3.3 1.5 1.0
assi ( segi SH3N and resi  44 and name HD22 ) ( segi SOSE and resi   7 and name  HD* ) 3.4 1.6 1.0
assi ( segi SH3N and resi  45 and name   HA ) ( segi SH3N and resi  45 and name  HB1 ) 2.5 0.7 0.8
assi ( segi SH3N and resi  45 and name   HA ) ( segi SH3N and resi  45 and name  HB2 ) 2.8 1.0 0.8
assi ( segi SH3N and resi  45 and name   HA ) ( segi SH3N and resi  45 and name  HE3 ) 3.2 1.4 1.0
assi ( segi SH3N and resi  45 and name  HB1 ) ( segi SH3N and resi  45 and name  HB2 ) 2.0 0.2 0.6
assi ( segi SH3N and resi  45 and name  HB1 ) ( segi SH3N and resi  45 and name  HD1 ) 3.3 1.5 1.0
assi ( segi SH3N and resi  45 and name  HB1 ) ( segi SH3N and resi  45 and name  HZ3 ) 4.0 2.2 1.2
assi ( segi SH3N and resi  45 and name  HB2 ) ( segi SH3N and resi  45 and name  HD1 ) 2.7 0.9 0.8
assi ( segi SH3N and resi  45 and name   HN ) ( segi SH3N and resi  45 and name   HA ) 3.0 1.2 0.9
assi ( segi SH3N and resi  45 and name   HN ) ( segi SH3N and resi  45 and name  HB1 ) 3.1 1.3 0.9
assi ( segi SH3N and resi  45 and name   HN ) ( segi SH3N and resi  45 and name  HB2 ) 2.7 0.9 0.8
assi ( segi SH3N and resi  45 and name   HN ) ( segi SH3N and resi  45 and name  HD1 ) 2.9 1.1 0.9
assi ( segi SH3N and resi  45 and name   HA ) ( segi SH3N and resi  46 and name   HN ) 2.2 0.4 0.7
assi ( segi SH3N and resi  45 and name  HB1 ) ( segi SH3N and resi  46 and name   HN ) 2.9 1.1 0.9
assi ( segi SH3N and resi  45 and name  HB2 ) ( segi SH3N and resi  46 and name   HN ) 3.1 1.3 0.9
assi ( segi SH3N and resi  45 and name  HB1 ) ( segi SH3N and resi  56 and name   HA ) 3.6 1.8 1.1
assi ( segi SH3N and resi  45 and name  HB1 ) ( segi SH3N and resi  56 and name  HD* ) 3.0 1.2 0.9
assi ( segi SH3N and resi  45 and name  HE3 ) ( segi SH3N and resi  56 and name  HB1 ) 2.6 0.8 0.8
assi ( segi SH3N and resi  45 and name  HE3 ) ( segi SH3N and resi  56 and name  HB2 ) 2.6 0.8 0.8
assi ( segi SH3N and resi  45 and name  HZ3 ) ( segi SH3N and resi  56 and name  HB1 ) 3.3 1.5 1.0
assi ( segi SH3N and resi  45 and name  HB1 ) ( segi SH3N and resi  57 and name   HN ) 3.7 1.9 1.1
assi ( segi SH3N and resi  45 and name  HE3 ) ( segi SH3N and resi  57 and name   HA ) 2.8 1.0 0.8
assi ( segi SH3N and resi  45 and name  HE3 ) ( segi SH3N and resi  57 and name   HN ) 3.1 1.3 0.9
assi ( segi SH3N and resi  45 and name  HZ3 ) ( segi SH3N and resi  57 and name   HA ) 2.7 0.9 0.8
assi ( segi SH3N and resi  45 and name  HZ3 ) ( segi SH3N and resi  57 and name   HN ) 3.9 2.1 1.2
assi ( segi SH3N and resi  45 and name   HA ) ( segi SH3N and resi  58 and name   HA ) 2.3 0.5 0.7
assi ( segi SH3N and resi  45 and name  HD1 ) ( segi SH3N and resi  58 and name   HA ) 3.5 1.7 2.1
assi ( segi SH3N and resi  45 and name  HE3 ) ( segi SH3N and resi  58 and name  HD1 ) 2.8 1.0 1.8
assi ( segi SH3N and resi  45 and name  HH2 ) ( segi SH3N and resi  58 and name  HD1 ) 3.0 1.2 0.9
assi ( segi SH3N and resi  45 and name  HZ3 ) ( segi SH3N and resi  58 and name  HD1 ) 2.5 0.7 0.8
assi ( segi SH3N and resi  45 and name  HZ3 ) ( segi SH3N and resi  58 and name  HG1 ) 3.6 1.8 1.1
assi ( segi SH3N and resi  45 and name   HA ) ( segi SH3N and resi  59 and name   HN ) 2.7 0.9 0.8
assi ( segi SH3N and resi  45 and name  HE1 ) ( segi SOSE and resi   5 and name HG1* ) 3.5 1.7 1.1
assi ( segi SH3N and resi  45 and name  HH2 ) ( segi SOSE and resi   5 and name   HB ) 3.8 2.0 1.1
assi ( segi SH3N and resi  45 and name  HH2 ) ( segi SOSE and resi   5 and name HG1* ) 2.5 0.7 0.8
assi ( segi SH3N and resi  45 and name  HZ2 ) ( segi SOSE and resi   5 and name   HB ) 3.6 1.8 1.1
assi ( segi SH3N and resi  45 and name  HZ2 ) ( segi SOSE and resi   5 and name HG1* ) 2.3 0.5 0.7
assi ( segi SH3N and resi  45 and name  HD1 ) ( segi SOSE and resi   6 and name  HB1 ) 3.7 1.9 1.1
assi ( segi SH3N and resi  45 and name  HD1 ) ( segi SOSE and resi   6 and name  HB2 ) 3.4 1.6 1.0
assi ( segi SH3N and resi  45 and name  HD1 ) ( segi SOSE and resi   6 and name  HG* ) 3.6 1.8 1.1
assi ( segi SH3N and resi  45 and name  HE1 ) ( segi SOSE and resi   6 and name  HB1 ) 3.2 1.4 1.0
assi ( segi SH3N and resi  45 and name  HE1 ) ( segi SOSE and resi   6 and name  HB2 ) 2.9 1.1 0.9
assi ( segi SH3N and resi  45 and name  HE1 ) ( segi SOSE and resi   6 and name  HG* ) 3.3 1.5 1.0
assi ( segi SH3N and resi  45 and name  HZ2 ) ( segi SOSE and resi   6 and name  HB1 ) 3.7 1.9 1.1
assi ( segi SH3N and resi  45 and name  HZ2 ) ( segi SOSE and resi   6 and name  HB2 ) 3.4 1.6 1.0
assi ( segi SH3N and resi  45 and name  HZ2 ) ( segi SOSE and resi   6 and name  HD2 ) 3.5 1.7 1.1
assi ( segi SH3N and resi  45 and name  HZ2 ) ( segi SOSE and resi   6 and name  HD1 ) 3.7 1.9 1.1
assi ( segi SH3N and resi  45 and name  HZ2 ) ( segi SOSE and resi   6 and name  HG* ) 3.4 1.6 1.0
assi ( segi SH3N and resi  45 and name  HZ2 ) ( segi SOSE and resi   7 and name   HA ) 3.9 2.1 1.2
assi ( segi SH3N and resi  45 and name  HD1 ) ( segi SOSE and resi   8 and name   HA ) 2.9 1.1 0.9
assi ( segi SH3N and resi  45 and name  HE1 ) ( segi SOSE and resi   8 and name   HA ) 3.0 1.2 0.9
assi ( segi SH3N and resi  45 and name  HE1 ) ( segi SOSE and resi   8 and name   HN ) 3.6 1.8 1.1
assi ( segi SH3N and resi  45 and name  HZ2 ) ( segi SOSE and resi   8 and name   HA ) 3.7 1.9 1.1
assi ( segi SH3N and resi  45 and name  HZ2 ) ( segi SOSE and resi   8 and name   HN ) 3.6 1.8 1.1
assi ( segi SH3N and resi  45 and name  HE3 ) ( segi SOSE and resi   8 and name  HG* ) 1.8 0.0 3.2
assi ( segi SH3N and resi  45 and name  HZ2 ) ( segi SOSE and resi   8 and name  HG* ) 1.8 0.0 2.2
assi ( segi SH3N and resi  45 and name  HZ2 ) ( segi SOSE and resi   8 and name  HB* ) 1.8 0.0 2.2
assi ( segi SH3N and resi  45 and name  HE3 ) ( segi SOSE and resi   8 and name  HB* ) 1.8 0.0 3.2
assi ( segi SH3N and resi  45 and name  HH2 ) ( segi SOSE and resi   8 and name  HB* ) 1.8 0.0 3.2
assi ( segi SH3N and resi  45 and name  HE3 ) ( segi SOSE and resi   8 and name  HB* ) 1.8 0.0 3.2
assi ( segi SH3N and resi  45 and name  HZ2 ) ( segi SOSE and resi   8 and name  HB* ) 1.8 0.0 3.2
assi ( segi SH3N and resi  46 and name   HA ) ( segi SH3N and resi  46 and name  HB1 ) 2.6 0.8 0.8
assi ( segi SH3N and resi  46 and name   HA ) ( segi SH3N and resi  46 and name  HB2 ) 2.9 1.1 0.9
assi ( segi SH3N and resi  46 and name   HA ) ( segi SH3N and resi  46 and name  HD* ) 2.4 0.6 0.7
assi ( segi SH3N and resi  46 and name   HA ) ( segi SH3N and resi  46 and name  HE* ) 3.3 1.5 1.0
assi ( segi SH3N and resi  46 and name  HB1 ) ( segi SH3N and resi  46 and name  HB2 ) 2.0 0.2 0.6
assi ( segi SH3N and resi  46 and name  HB1 ) ( segi SH3N and resi  46 and name  HD* ) 2.8 1.0 0.8
assi ( segi SH3N and resi  46 and name  HB2 ) ( segi SH3N and resi  46 and name  HD* ) 2.5 0.7 0.8
assi ( segi SH3N and resi  46 and name  HD* ) ( segi SH3N and resi  46 and name  HE* ) 2.0 0.2 0.6
assi ( segi SH3N and resi  46 and name   HN ) ( segi SH3N and resi  46 and name   HA ) 2.4 0.6 1.7
assi ( segi SH3N and resi  46 and name   HN ) ( segi SH3N and resi  46 and name  HB1 ) 3.0 1.2 0.9
assi ( segi SH3N and resi  46 and name   HN ) ( segi SH3N and resi  46 and name  HB2 ) 2.7 0.9 0.8
assi ( segi SH3N and resi  46 and name   HN ) ( segi SH3N and resi  46 and name  HD* ) 3.1 1.3 0.9
assi ( segi SH3N and resi  46 and name   HA ) ( segi SH3N and resi  47 and name   HN ) 2.2 0.4 0.7
assi ( segi SH3N and resi  46 and name  HB1 ) ( segi SH3N and resi  47 and name   HN ) 2.8 1.0 0.8
assi ( segi SH3N and resi  46 and name  HB2 ) ( segi SH3N and resi  47 and name   HN ) 3.2 1.4 1.0
assi ( segi SH3N and resi  46 and name  HD* ) ( segi SH3N and resi  47 and name   HN ) 3.5 1.7 1.1
assi ( segi SH3N and resi  46 and name   HA ) ( segi SH3N and resi  56 and name   HA ) 4.1 2.3 1.2
assi ( segi SH3N and resi  46 and name   HN ) ( segi SH3N and resi  56 and name   HA ) 3.6 1.8 1.1
assi ( segi SH3N and resi  46 and name  HB1 ) ( segi SH3N and resi  57 and name HG1* ) 3.2 1.4 1.0
assi ( segi SH3N and resi  46 and name  HB2 ) ( segi SH3N and resi  57 and name HG1* ) 2.4 0.6 0.7
assi ( segi SH3N and resi  46 and name  HD* ) ( segi SH3N and resi  57 and name HD1* ) 2.8 1.0 0.8
assi ( segi SH3N and resi  46 and name   HN ) ( segi SH3N and resi  57 and name HG1* ) 3.1 1.3 0.9
assi ( segi SH3N and resi  46 and name   HN ) ( segi SH3N and resi  57 and name   HN ) 2.9 1.1 0.9
assi ( segi SH3N and resi  46 and name   HN ) ( segi SH3N and resi  58 and name   HA ) 3.2 1.4 1.0
assi ( segi SH3N and resi  46 and name  HD* ) ( segi SH3N and resi  59 and name   HA ) 3.2 1.4 1.0
assi ( segi SH3N and resi  46 and name  HE* ) ( segi SH3N and resi  59 and name   HA ) 3.0 1.2 0.9
assi ( segi SH3N and resi  46 and name   HN ) ( segi SH3N and resi  59 and name   HN ) 3.3 1.5 1.0
assi ( segi SH3N and resi  46 and name  HD* ) ( segi SH3N and resi  62 and name HD1* ) 2.6 0.8 0.8
assi ( segi SH3N and resi  46 and name  HD* ) ( segi SH3N and resi  62 and name HG2* ) 2.5 0.7 0.8
assi ( segi SH3N and resi  46 and name  HE* ) ( segi SH3N and resi  62 and name HD1* ) 2.6 0.8 0.8
assi ( segi SH3N and resi  46 and name  HE* ) ( segi SH3N and resi  62 and name HG2* ) 2.8 1.0 0.8
assi ( segi SH3N and resi  47 and name   HA ) ( segi SH3N and resi  47 and name  HB2 ) 2.3 0.5 0.7
assi ( segi SH3N and resi  47 and name   HA ) ( segi SH3N and resi  47 and name  HD* ) 3.0 1.2 0.9
assi ( segi SH3N and resi  47 and name   HA ) ( segi SH3N and resi  47 and name  HG* ) 2.6 0.8 0.8
assi ( segi SH3N and resi  47 and name  HB* ) ( segi SH3N and resi  47 and name  HE* ) 2.7 0.9 0.8
assi ( segi SH3N and resi  47 and name  HB* ) ( segi SH3N and resi  47 and name  HG* ) 2.4 0.6 0.7
assi ( segi SH3N and resi  47 and name  HD* ) ( segi SH3N and resi  47 and name  HE* ) 2.4 0.6 0.7
assi ( segi SH3N and resi  47 and name  HG* ) ( segi SH3N and resi  47 and name  HE* ) 2.5 0.7 0.8
assi ( segi SH3N and resi  47 and name   HN ) ( segi SH3N and resi  47 and name  HB1 ) 2.8 1.0 0.8
assi ( segi SH3N and resi  47 and name   HN ) ( segi SH3N and resi  47 and name  HB2 ) 2.8 1.0 0.8
assi ( segi SH3N and resi  47 and name   HA ) ( segi SH3N and resi  48 and name   HN ) 2.1 0.3 0.6
assi ( segi SH3N and resi  47 and name  HG* ) ( segi SH3N and resi  48 and name   HN ) 3.0 1.2 0.9
assi ( segi SH3N and resi  47 and name   HA ) ( segi SH3N and resi  55 and name   HN ) 3.5 1.7 1.1
assi ( segi SH3N and resi  47 and name   HA ) ( segi SH3N and resi  56 and name   HA ) 2.5 0.7 0.8
assi ( segi SH3N and resi  47 and name   HA ) ( segi SH3N and resi  56 and name  HD* ) 3.1 1.3 0.9
assi ( segi SH3N and resi  47 and name  HB2 ) ( segi SH3N and resi  56 and name  HE* ) 3.1 1.3 0.9
assi ( segi SH3N and resi  47 and name  HE* ) ( segi SH3N and resi  56 and name  HE* ) 3.2 1.4 1.0
assi ( segi SH3N and resi  47 and name  HG* ) ( segi SH3N and resi  56 and name   HN ) 3.7 1.9 1.1
assi ( segi SH3N and resi  47 and name   HA ) ( segi SH3N and resi  57 and name   HN ) 3.1 1.3 0.9
assi ( segi SH3N and resi  48 and name   HN ) ( segi SH3N and resi  48 and name   HA ) 2.8 1.0 0.8
assi ( segi SH3N and resi  48 and name   HA ) ( segi SH3N and resi  49 and name  HB* ) 3.1 1.3 0.9
assi ( segi SH3N and resi  48 and name   HA ) ( segi SH3N and resi  49 and name   HN ) 2.2 0.4 0.7
assi ( segi SH3N and resi  48 and name   HN ) ( segi SH3N and resi  49 and name   HN ) 3.9 2.1 1.2
assi ( segi SH3N and resi  48 and name   HN ) ( segi SH3N and resi  54 and name   HA ) 3.8 2.0 1.1
assi ( segi SH3N and resi  48 and name   HA ) ( segi SH3N and resi  55 and name   HN ) 2.9 1.1 1.9
assi ( segi SH3N and resi  48 and name   HN ) ( segi SH3N and resi  55 and name   HN ) 2.7 0.9 0.8
assi ( segi SH3N and resi  48 and name   HN ) ( segi SH3N and resi  56 and name   HA ) 3.2 1.4 1.0
assi ( segi SH3N and resi  49 and name   HA ) ( segi SH3N and resi  49 and name  HG* ) 2.7 0.9 0.8
assi ( segi SH3N and resi  49 and name   HA ) ( segi SH3N and resi  50 and name   HN ) 2.1 0.3 0.6
assi ( segi SH3N and resi  49 and name   HA ) ( segi SH3N and resi  54 and name   HA ) 2.2 0.4 0.7
assi ( segi SH3N and resi  49 and name  HG* ) ( segi SH3N and resi  54 and name   HA ) 3.4 1.6 1.0
assi ( segi SH3N and resi  49 and name   HN ) ( segi SH3N and resi  54 and name   HA ) 3.8 2.0 1.1
assi ( segi SH3N and resi  50 and name   HA ) ( segi SH3N and resi  50 and name  HB* ) 2.7 0.9 0.8
assi ( segi SH3N and resi  50 and name   HA ) ( segi SH3N and resi  50 and name HD2* ) 2.4 0.6 0.7
assi ( segi SH3N and resi  50 and name  HB* ) ( segi SH3N and resi  50 and name  HD* ) 2.5 0.7 0.8
assi ( segi SH3N and resi  50 and name  HB* ) ( segi SH3N and resi  50 and name   HG ) 2.3 0.5 0.7
assi ( segi SH3N and resi  50 and name   HN ) ( segi SH3N and resi  50 and name  HB* ) 2.9 1.1 0.9
assi ( segi SH3N and resi  50 and name   HN ) ( segi SH3N and resi  50 and name  HD* ) 2.9 1.1 0.9
assi ( segi SH3N and resi  50 and name   HN ) ( segi SH3N and resi  50 and name   HG ) 2.4 0.6 1.7
assi ( segi SH3N and resi  50 and name   HA ) ( segi SH3N and resi  51 and name   HN ) 2.2 0.4 0.7
assi ( segi SH3N and resi  50 and name  HB* ) ( segi SH3N and resi  51 and name  HB2 ) 2.9 1.1 1.9
assi ( segi SH3N and resi  50 and name  HB1 ) ( segi SH3N and resi  51 and name  HB1 ) 2.6 0.8 0.8
assi ( segi SH3N and resi  50 and name  HB1 ) ( segi SH3N and resi  51 and name HD21 ) 2.6 0.8 0.8
assi ( segi SH3N and resi  50 and name  HB* ) ( segi SH3N and resi  51 and name   HN ) 2.8 1.0 0.8
assi ( segi SH3N and resi  50 and name  HD* ) ( segi SH3N and resi  51 and name  HB2 ) 3.4 1.6 1.0
assi ( segi SH3N and resi  50 and name  HD* ) ( segi SH3N and resi  51 and name  HB1 ) 3.1 1.3 0.9
assi ( segi SH3N and resi  50 and name HD2* ) ( segi SH3N and resi  51 and name HD21 ) 4.4 2.6 1.0
assi ( segi SH3N and resi  50 and name HD2* ) ( segi SH3N and resi  51 and name HD22 ) 3.4 1.6 1.0
assi ( segi SH3N and resi  50 and name  HD* ) ( segi SH3N and resi  51 and name   HN ) 2.9 1.1 0.9
assi ( segi SH3N and resi  50 and name   HG ) ( segi SH3N and resi  51 and name   HN ) 4.0 2.2 1.2
assi ( segi SH3N and resi  50 and name   HN ) ( segi SH3N and resi  51 and name   HN ) 3.0 1.2 1.9
assi ( segi SH3N and resi  50 and name   HN ) ( segi SH3N and resi  53 and name   HN ) 2.3 0.5 1.7
assi ( segi SH3N and resi  50 and name   HN ) ( segi SH3N and resi  54 and name   HA ) 2.9 1.1 0.9
assi ( segi SH3N and resi  51 and name   HA ) ( segi SH3N and resi  51 and name  HB2 ) 2.3 0.5 0.7
assi ( segi SH3N and resi  51 and name   HA ) ( segi SH3N and resi  51 and name  HB1 ) 2.6 0.8 0.8
assi ( segi SH3N and resi  51 and name   HA ) ( segi SH3N and resi  51 and name HD2* ) 3.8 2.0 1.1
assi ( segi SH3N and resi  51 and name  HB2 ) ( segi SH3N and resi  51 and name HD2* ) 3.0 1.2 0.9
assi ( segi SH3N and resi  51 and name  HB1 ) ( segi SH3N and resi  51 and name HD2* ) 2.5 0.7 0.8
assi ( segi SH3N and resi  51 and name   HN ) ( segi SH3N and resi  51 and name   HA ) 2.2 0.4 0.7
assi ( segi SH3N and resi  51 and name   HN ) ( segi SH3N and resi  51 and name  HB2 ) 3.4 1.6 1.0
assi ( segi SH3N and resi  51 and name   HN ) ( segi SH3N and resi  51 and name  HB1 ) 3.3 1.5 1.0
assi ( segi SH3N and resi  51 and name   HN ) ( segi SH3N and resi  51 and name HD2* ) 3.4 1.6 1.0
assi ( segi SH3N and resi  51 and name   HA ) ( segi SH3N and resi  52 and name   HN ) 2.4 0.6 0.7
assi ( segi SH3N and resi  51 and name  HB2 ) ( segi SH3N and resi  52 and name   HN ) 3.7 1.9 1.1
assi ( segi SH3N and resi  51 and name  HB1 ) ( segi SH3N and resi  52 and name   HN ) 4.2 2.4 1.3
assi ( segi SH3N and resi  51 and name   HN ) ( segi SH3N and resi  52 and name   HN ) 2.7 0.9 0.8
assi ( segi SH3N and resi  51 and name   HA ) ( segi SH3N and resi  53 and name   HN ) 3.5 1.7 1.1
assi ( segi SH3N and resi  51 and name  HB1 ) ( segi SH3N and resi  53 and name   HN ) 3.6 1.8 1.1
assi ( segi SH3N and resi  51 and name   HN ) ( segi SH3N and resi  53 and name   HN ) 3.7 1.9 1.1
assi ( segi SH3N and resi  52 and name   HN ) ( segi SH3N and resi  52 and name  HA* ) 2.5 0.7 0.8
assi ( segi SH3N and resi  52 and name  HA* ) ( segi SH3N and resi  53 and name   HN ) 3.1 1.3 0.9
assi ( segi SH3N and resi  52 and name   HN ) ( segi SH3N and resi  53 and name   HN ) 2.3 0.5 0.7
assi ( segi SH3N and resi  53 and name   HA ) ( segi SH3N and resi  53 and name  HB* ) 2.6 0.8 0.8
assi ( segi SH3N and resi  53 and name  HB* ) ( segi SH3N and resi  53 and name  HG* ) 2.4 0.6 0.7
assi ( segi SH3N and resi  53 and name  HD* ) ( segi SH3N and resi  53 and name  HE* ) 2.8 1.0 0.8
assi ( segi SH3N and resi  53 and name  HG* ) ( segi SH3N and resi  53 and name  HE* ) 3.6 1.8 1.1
assi ( segi SH3N and resi  53 and name   HN ) ( segi SH3N and resi  53 and name   HA ) 2.7 0.9 0.8
assi ( segi SH3N and resi  53 and name   HN ) ( segi SH3N and resi  53 and name  HB* ) 2.7 0.9 0.8
assi ( segi SH3N and resi  53 and name   HN ) ( segi SH3N and resi  53 and name  HG* ) 3.4 1.6 1.0
assi ( segi SH3N and resi  53 and name  HB* ) ( segi SH3N and resi  54 and name   HN ) 2.8 1.0 0.8
assi ( segi SH3N and resi  53 and name  HG* ) ( segi SH3N and resi  54 and name   HN ) 3.5 1.7 1.1
assi ( segi SH3N and resi  53 and name   HN ) ( segi SH3N and resi  54 and name   HN ) 3.2 1.4 1.0
assi ( segi SH3N and resi  54 and name   HA ) ( segi SH3N and resi  54 and name  HB* ) 2.4 0.6 0.7
assi ( segi SH3N and resi  54 and name   HN ) ( segi SH3N and resi  54 and name   HA ) 2.8 1.0 0.8
assi ( segi SH3N and resi  54 and name   HN ) ( segi SH3N and resi  54 and name  HB* ) 2.8 1.0 0.8
assi ( segi SH3N and resi  54 and name   HA ) ( segi SH3N and resi  55 and name   HN ) 2.2 0.4 0.7
assi ( segi SH3N and resi  54 and name  HB* ) ( segi SH3N and resi  55 and name   HN ) 2.9 1.1 0.9
assi ( segi SH3N and resi  54 and name   HN ) ( segi SH3N and resi  55 and name   HN ) 3.4 1.6 1.0
assi ( segi SH3N and resi  55 and name   HN ) ( segi SH3N and resi  55 and name  HA* ) 2.7 0.9 0.8
assi ( segi SH3N and resi  55 and name  HA* ) ( segi SH3N and resi  56 and name   HN ) 2.6 0.8 0.8
assi ( segi SH3N and resi  56 and name   HA ) ( segi SH3N and resi  56 and name  HB1 ) 2.6 0.8 0.8
assi ( segi SH3N and resi  56 and name   HA ) ( segi SH3N and resi  56 and name  HB2 ) 2.7 0.9 0.8
assi ( segi SH3N and resi  56 and name   HA ) ( segi SH3N and resi  56 and name  HD* ) 3.2 1.4 1.0
assi ( segi SH3N and resi  56 and name   HA ) ( segi SH3N and resi  56 and name  HE* ) 4.3 2.5 1.3
assi ( segi SH3N and resi  56 and name  HB1 ) ( segi SH3N and resi  56 and name  HB2 ) 2.0 0.2 0.6
assi ( segi SH3N and resi  56 and name  HB1 ) ( segi SH3N and resi  56 and name  HD* ) 2.4 0.6 0.7
assi ( segi SH3N and resi  56 and name  HB1 ) ( segi SH3N and resi  56 and name  HE* ) 3.4 1.6 2.0
assi ( segi SH3N and resi  56 and name  HB2 ) ( segi SH3N and resi  56 and name  HD* ) 2.5 0.7 0.8
assi ( segi SH3N and resi  56 and name  HB2 ) ( segi SH3N and resi  56 and name  HE* ) 3.0 1.2 1.9
assi ( segi SH3N and resi  56 and name  HD* ) ( segi SH3N and resi  56 and name  HE* ) 2.0 0.2 0.6
assi ( segi SH3N and resi  56 and name   HN ) ( segi SH3N and resi  56 and name   HA ) 2.7 0.9 0.8
assi ( segi SH3N and resi  56 and name   HN ) ( segi SH3N and resi  56 and name  HB1 ) 2.9 1.1 0.9
assi ( segi SH3N and resi  56 and name   HN ) ( segi SH3N and resi  56 and name  HB2 ) 2.6 0.8 0.8
assi ( segi SH3N and resi  56 and name   HN ) ( segi SH3N and resi  56 and name  HD* ) 3.0 1.2 0.9
assi ( segi SH3N and resi  56 and name   HN ) ( segi SH3N and resi  56 and name  HE* ) 3.2 1.4 1.0
assi ( segi SH3N and resi  56 and name   HZ ) ( segi SH3N and resi  56 and name  HE* ) 2.0 0.2 0.6
assi ( segi SH3N and resi  56 and name   HA ) ( segi SH3N and resi  57 and name HG1* ) 3.1 1.3 0.9
assi ( segi SH3N and resi  56 and name   HA ) ( segi SH3N and resi  57 and name   HN ) 2.2 0.4 0.7
assi ( segi SH3N and resi  56 and name  HB1 ) ( segi SH3N and resi  57 and name   HN ) 2.6 0.8 0.8
assi ( segi SH3N and resi  56 and name  HB2 ) ( segi SH3N and resi  57 and name   HN ) 3.4 1.6 1.0
assi ( segi SH3N and resi  56 and name  HD* ) ( segi SH3N and resi  57 and name   HN ) 3.4 1.6 1.0
assi ( segi SH3N and resi  56 and name  HE* ) ( segi SH3N and resi  57 and name   HN ) 3.9 2.1 2.2
assi ( segi SH3N and resi  57 and name   HA ) ( segi SH3N and resi  57 and name   HB ) 2.4 0.6 0.7
assi ( segi SH3N and resi  57 and name   HA ) ( segi SH3N and resi  57 and name HD1* ) 3.0 1.2 1.9
assi ( segi SH3N and resi  57 and name   HA ) ( segi SH3N and resi  57 and name HG1* ) 3.3 1.5 1.0
assi ( segi SH3N and resi  57 and name   HA ) ( segi SH3N and resi  57 and name HG2* ) 2.4 0.6 0.7
assi ( segi SH3N and resi  57 and name   HB ) ( segi SH3N and resi  57 and name HD1* ) 2.4 0.6 0.7
assi ( segi SH3N and resi  57 and name   HB ) ( segi SH3N and resi  57 and name HG1* ) 2.9 1.1 0.9
assi ( segi SH3N and resi  57 and name   HB ) ( segi SH3N and resi  57 and name HG2* ) 2.4 0.6 0.7
assi ( segi SH3N and resi  57 and name HG1* ) ( segi SH3N and resi  57 and name HD1* ) 2.5 0.7 0.8
assi ( segi SH3N and resi  57 and name HG2* ) ( segi SH3N and resi  57 and name HD1* ) 2.1 0.3 0.6
assi ( segi SH3N and resi  57 and name HG2* ) ( segi SH3N and resi  57 and name HG1* ) 2.0 0.2 0.6
assi ( segi SH3N and resi  57 and name   HN ) ( segi SH3N and resi  57 and name   HA ) 3.0 1.2 0.9
assi ( segi SH3N and resi  57 and name   HN ) ( segi SH3N and resi  57 and name HG1* ) 2.8 1.0 0.8
assi ( segi SH3N and resi  57 and name   HN ) ( segi SH3N and resi  57 and name HG2* ) 3.5 1.7 1.1
assi ( segi SH3N and resi  57 and name   HA ) ( segi SH3N and resi  58 and name  HD1 ) 2.1 0.3 0.6
assi ( segi SH3N and resi  57 and name   HA ) ( segi SH3N and resi  58 and name  HD2 ) 2.4 0.6 0.7
assi ( segi SH3N and resi  57 and name   HA ) ( segi SH3N and resi  58 and name  HG1 ) 3.4 1.6 1.0
assi ( segi SH3N and resi  57 and name   HB ) ( segi SH3N and resi  58 and name  HD1 ) 2.8 1.0 0.8
assi ( segi SH3N and resi  57 and name   HB ) ( segi SH3N and resi  58 and name  HD2 ) 2.6 0.8 0.8
assi ( segi SH3N and resi  58 and name   HA ) ( segi SH3N and resi  58 and name  HB1 ) 2.4 0.6 0.7
assi ( segi SH3N and resi  58 and name   HA ) ( segi SH3N and resi  58 and name  HB2 ) 2.6 0.8 0.8
assi ( segi SH3N and resi  58 and name   HA ) ( segi SH3N and resi  58 and name  HD1 ) 3.6 1.8 1.1
assi ( segi SH3N and resi  58 and name   HA ) ( segi SH3N and resi  58 and name  HG1 ) 2.7 0.9 1.8
assi ( segi SH3N and resi  58 and name   HA ) ( segi SH3N and resi  58 and name  HG2 ) 3.5 1.7 1.1
assi ( segi SH3N and resi  58 and name  HB1 ) ( segi SH3N and resi  58 and name  HD1 ) 3.5 1.7 1.1
assi ( segi SH3N and resi  58 and name  HB1 ) ( segi SH3N and resi  58 and name  HD2 ) 3.5 1.7 1.1
assi ( segi SH3N and resi  58 and name  HB1 ) ( segi SH3N and resi  58 and name  HG1 ) 2.3 0.5 0.7
assi ( segi SH3N and resi  58 and name  HB1 ) ( segi SH3N and resi  58 and name  HG2 ) 3.1 1.3 0.9
assi ( segi SH3N and resi  58 and name  HB2 ) ( segi SH3N and resi  58 and name  HB1 ) 2.0 0.2 0.6
assi ( segi SH3N and resi  58 and name  HB2 ) ( segi SH3N and resi  58 and name  HD1 ) 3.7 1.9 1.1
assi ( segi SH3N and resi  58 and name  HB2 ) ( segi SH3N and resi  58 and name  HD2 ) 3.3 1.5 1.0
assi ( segi SH3N and resi  58 and name  HB2 ) ( segi SH3N and resi  58 and name  HG1 ) 3.7 1.9 1.1
assi ( segi SH3N and resi  58 and name  HB2 ) ( segi SH3N and resi  58 and name  HG2 ) 2.5 0.7 0.8
assi ( segi SH3N and resi  58 and name  HG1 ) ( segi SH3N and resi  58 and name  HD1 ) 2.8 1.0 0.8
assi ( segi SH3N and resi  58 and name  HG1 ) ( segi SH3N and resi  58 and name  HD2 ) 2.8 1.0 0.8
assi ( segi SH3N and resi  58 and name  HG2 ) ( segi SH3N and resi  58 and name  HD1 ) 2.8 1.0 0.8
assi ( segi SH3N and resi  58 and name  HG2 ) ( segi SH3N and resi  58 and name  HD2 ) 2.7 0.9 0.8
assi ( segi SH3N and resi  58 and name  HG2 ) ( segi SH3N and resi  58 and name  HG1 ) 2.1 0.3 0.6
assi ( segi SH3N and resi  58 and name   HA ) ( segi SH3N and resi  59 and name   HN ) 2.2 0.4 0.7
assi ( segi SH3N and resi  58 and name  HB1 ) ( segi SH3N and resi  59 and name   HN ) 3.9 2.1 1.2
assi ( segi SH3N and resi  58 and name  HB2 ) ( segi SH3N and resi  59 and name   HN ) 3.5 1.7 1.1
assi ( segi SH3N and resi  58 and name   HA ) ( segi SH3N and resi  60 and name   HN ) 4.0 2.2 1.2
assi ( segi SH3N and resi  58 and name  HB1 ) ( segi SH3N and resi  60 and name   HN ) 4.2 2.4 1.3
assi ( segi SH3N and resi  58 and name  HB2 ) ( segi SH3N and resi  60 and name   HN ) 2.8 1.0 0.8
assi ( segi SH3N and resi  58 and name  HB1 ) ( segi SH3N and resi  61 and name  HD* ) 3.9 2.1 1.2
assi ( segi SH3N and resi  58 and name  HB2 ) ( segi SH3N and resi  61 and name  HB2 ) 3.0 1.2 0.9
assi ( segi SH3N and resi  58 and name  HB2 ) ( segi SH3N and resi  61 and name  HD* ) 2.8 1.0 0.8
assi ( segi SH3N and resi  58 and name  HB2 ) ( segi SH3N and resi  61 and name  HE* ) 3.6 1.8 1.1
assi ( segi SH3N and resi  58 and name  HB2 ) ( segi SH3N and resi  61 and name   HN ) 3.4 1.6 1.0
assi ( segi SH3N and resi  58 and name  HD2 ) ( segi SH3N and resi  61 and name  HB2 ) 3.4 1.6 1.0
assi ( segi SH3N and resi  58 and name  HG1 ) ( segi SH3N and resi  61 and name  HB2 ) 3.3 1.5 1.0
assi ( segi SH3N and resi  58 and name  HG2 ) ( segi SH3N and resi  61 and name  HB1 ) 2.9 1.1 0.9
assi ( segi SH3N and resi  58 and name  HG2 ) ( segi SH3N and resi  61 and name  HB2 ) 2.7 0.9 0.8
assi ( segi SH3N and resi  58 and name  HG2 ) ( segi SH3N and resi  61 and name  HD* ) 4.0 2.2 1.2
assi ( segi SH3N and resi  58 and name  HG2 ) ( segi SH3N and resi  61 and name  HE* ) 3.2 1.4 1.0
assi ( segi SH3N and resi  58 and name  HG2 ) ( segi SH3N and resi  61 and name   HN ) 3.8 2.0 1.1
assi ( segi SH3N and resi  58 and name  HB2 ) ( segi SH3N and resi  62 and name   HN ) 3.8 2.0 1.1
assi ( segi SH3N and resi  58 and name   HA ) ( segi SOSE and resi   5 and name HG1* ) 3.7 1.9 1.1
assi ( segi SH3N and resi  58 and name  HB1 ) ( segi SOSE and resi   5 and name   HA ) 3.4 1.6 1.0
assi ( segi SH3N and resi  58 and name  HB1 ) ( segi SOSE and resi   5 and name HG1* ) 3.6 1.8 1.1
assi ( segi SH3N and resi  58 and name  HB2 ) ( segi SOSE and resi   5 and name HG1* ) 2.8 1.0 0.8
assi ( segi SH3N and resi  58 and name  HD1 ) ( segi SOSE and resi   5 and name HG1* ) 3.3 1.5 1.0
assi ( segi SH3N and resi  58 and name  HD2 ) ( segi SOSE and resi   5 and name HG1* ) 3.4 1.6 1.0
assi ( segi SH3N and resi  58 and name  HG1 ) ( segi SOSE and resi   5 and name   HB ) 3.7 1.9 1.1
assi ( segi SH3N and resi  58 and name  HG1 ) ( segi SOSE and resi   5 and name HG1* ) 2.7 0.9 0.8
assi ( segi SH3N and resi  58 and name   HA ) ( segi SOSE and resi   6 and name  HG* ) 3.7 1.9 1.1
assi ( segi SH3N and resi  58 and name  HB1 ) ( segi SOSE and resi   6 and name  HD2 ) 3.9 2.1 1.2
assi ( segi SH3N and resi  58 and name  HB1 ) ( segi SOSE and resi   6 and name  HD1 ) 3.2 1.4 1.0
assi ( segi SH3N and resi  58 and name  HB1 ) ( segi SOSE and resi   6 and name  HG* ) 3.4 1.6 1.0
assi ( segi SH3N and resi  58 and name  HB2 ) ( segi SOSE and resi   6 and name  HD2 ) 3.2 1.4 1.0
assi ( segi SH3N and resi  58 and name  HB2 ) ( segi SOSE and resi   6 and name  HD1 ) 2.7 0.9 0.8
assi ( segi SH3N and resi  58 and name  HG1 ) ( segi SOSE and resi   6 and name  HD2 ) 3.6 1.8 1.1
assi ( segi SH3N and resi  58 and name  HG1 ) ( segi SOSE and resi   6 and name  HD1 ) 3.5 1.7 1.1
assi ( segi SH3N and resi  59 and name   HA ) ( segi SH3N and resi  59 and name  HB* ) 2.0 0.2 0.6
assi ( segi SH3N and resi  59 and name   HA ) ( segi SH3N and resi  59 and name  HG* ) 2.4 0.6 0.7
assi ( segi SH3N and resi  59 and name  HB* ) ( segi SH3N and resi  59 and name  HG* ) 2.5 0.7 0.8
assi ( segi SH3N and resi  59 and name  HD* ) ( segi SH3N and resi  59 and name  HE* ) 2.4 0.6 0.7
assi ( segi SH3N and resi  59 and name  HG* ) ( segi SH3N and resi  59 and name  HD* ) 2.5 0.7 0.8
assi ( segi SH3N and resi  59 and name  HG* ) ( segi SH3N and resi  59 and name  HE* ) 3.1 1.3 0.9
assi ( segi SH3N and resi  59 and name   HN ) ( segi SH3N and resi  59 and name   HA ) 2.7 0.9 0.8
assi ( segi SH3N and resi  59 and name   HN ) ( segi SH3N and resi  59 and name  HB* ) 2.7 0.9 0.8
assi ( segi SH3N and resi  59 and name   HN ) ( segi SH3N and resi  59 and name  HG* ) 2.9 1.1 0.9
assi ( segi SH3N and resi  59 and name   HA ) ( segi SH3N and resi  60 and name   HN ) 3.5 1.7 1.1
assi ( segi SH3N and resi  59 and name  HB* ) ( segi SH3N and resi  60 and name   HN ) 3.2 1.4 1.0
assi ( segi SH3N and resi  59 and name  HG* ) ( segi SH3N and resi  60 and name   HN ) 3.1 1.3 0.9
assi ( segi SH3N and resi  59 and name   HN ) ( segi SH3N and resi  60 and name   HN ) 2.6 0.8 0.8
assi ( segi SH3N and resi  59 and name   HA ) ( segi SH3N and resi  61 and name   HN ) 3.7 1.9 1.1
assi ( segi SH3N and resi  59 and name   HN ) ( segi SH3N and resi  61 and name   HN ) 4.3 2.5 1.3
assi ( segi SH3N and resi  59 and name   HA ) ( segi SH3N and resi  62 and name   HN ) 3.5 1.7 1.1
assi ( segi SH3N and resi  59 and name   HN ) ( segi SOSE and resi   6 and name  HD1 ) 3.9 2.1 1.2
assi ( segi SH3N and resi  60 and name   HA ) ( segi SH3N and resi  60 and name  HB2 ) 2.2 0.4 0.7
assi ( segi SH3N and resi  60 and name   HA ) ( segi SH3N and resi  60 and name  HB1 ) 2.4 0.6 0.7
assi ( segi SH3N and resi  60 and name   HA ) ( segi SH3N and resi  60 and name HD21 ) 4.1 2.3 1.2
assi ( segi SH3N and resi  60 and name   HA ) ( segi SH3N and resi  60 and name HD22 ) 3.9 2.1 1.2
assi ( segi SH3N and resi  60 and name  HB2 ) ( segi SH3N and resi  60 and name HD21 ) 2.6 0.8 0.8
assi ( segi SH3N and resi  60 and name  HB2 ) ( segi SH3N and resi  60 and name HD22 ) 3.2 1.4 1.0
assi ( segi SH3N and resi  60 and name  HB1 ) ( segi SH3N and resi  60 and name HD21 ) 2.8 1.0 0.8
assi ( segi SH3N and resi  60 and name  HB1 ) ( segi SH3N and resi  60 and name HD22 ) 3.5 1.7 1.1
assi ( segi SH3N and resi  60 and name HD21 ) ( segi SH3N and resi  60 and name HD22 ) 2.2 0.4 0.7
assi ( segi SH3N and resi  60 and name   HN ) ( segi SH3N and resi  60 and name  HB2 ) 3.1 1.3 0.9
assi ( segi SH3N and resi  60 and name   HN ) ( segi SH3N and resi  60 and name  HB1 ) 2.9 1.1 0.9
assi ( segi SH3N and resi  60 and name  HB1 ) ( segi SH3N and resi  61 and name   HN ) 3.5 1.7 1.1
assi ( segi SH3N and resi  60 and name HD21 ) ( segi SH3N and resi  61 and name  HE* ) 3.7 1.9 1.1
assi ( segi SH3N and resi  60 and name   HN ) ( segi SH3N and resi  61 and name   HN ) 2.6 0.8 0.8
assi ( segi SH3N and resi  60 and name   HN ) ( segi SH3N and resi  62 and name   HN ) 3.5 1.7 1.1
assi ( segi SH3N and resi  60 and name HD21 ) ( segi SOSE and resi   3 and name  HB1 ) 3.2 1.4 1.0
assi ( segi SH3N and resi  60 and name HD21 ) ( segi SOSE and resi   3 and name  HB2 ) 2.9 1.1 0.9
assi ( segi SH3N and resi  60 and name HD21 ) ( segi SOSE and resi   3 and name  HG* ) 3.4 1.6 1.0
assi ( segi SH3N and resi  60 and name HD22 ) ( segi SOSE and resi   3 and name  HB1 ) 3.2 1.4 1.0
assi ( segi SH3N and resi  60 and name HD22 ) ( segi SOSE and resi   3 and name  HB2 ) 2.7 0.9 0.8
assi ( segi SH3N and resi  60 and name HD22 ) ( segi SOSE and resi   3 and name  HG* ) 3.5 1.7 1.1
assi ( segi SH3N and resi  60 and name HD21 ) ( segi SOSE and resi   4 and name  HD* ) 3.7 1.9 1.1
assi ( segi SH3N and resi  60 and name HD22 ) ( segi SOSE and resi   4 and name  HD* ) 3.5 1.7 1.1
assi ( segi SH3N and resi  60 and name HD21 ) ( segi SOSE and resi   5 and name   HA ) 3.4 1.6 1.0
assi ( segi SH3N and resi  60 and name HD21 ) ( segi SOSE and resi   5 and name HG1* ) 3.4 1.6 1.0
assi ( segi SH3N and resi  60 and name HD21 ) ( segi SOSE and resi   5 and name HG2* ) 3.5 1.7 1.1
assi ( segi SH3N and resi  60 and name HD22 ) ( segi SOSE and resi   5 and name   HA ) 3.4 1.6 1.0
assi ( segi SH3N and resi  60 and name HD22 ) ( segi SOSE and resi   5 and name HG1* ) 2.9 1.1 0.9
assi ( segi SH3N and resi  60 and name HD21 ) ( segi SOSE and resi   6 and name  HD2 ) 3.7 1.9 1.1
assi ( segi SH3N and resi  60 and name HD21 ) ( segi SOSE and resi   6 and name  HD1 ) 3.9 2.1 1.2
assi ( segi SH3N and resi  60 and name HD22 ) ( segi SOSE and resi   6 and name  HD2 ) 3.0 1.2 0.9
assi ( segi SH3N and resi  60 and name HD22 ) ( segi SOSE and resi   6 and name  HD1 ) 3.5 1.7 1.1
assi ( segi SH3N and resi  60 and name   HN ) ( segi SOSE and resi   6 and name  HG* ) 3.6 1.8 1.1
assi ( segi SH3N and resi  61 and name   HA ) ( segi SH3N and resi  61 and name  HB1 ) 2.8 1.0 0.8
assi ( segi SH3N and resi  61 and name   HA ) ( segi SH3N and resi  61 and name  HD* ) 3.3 1.5 1.0
assi ( segi SH3N and resi  61 and name   HA ) ( segi SH3N and resi  61 and name  HE* ) 3.7 1.9 2.1
assi ( segi SH3N and resi  61 and name  HB1 ) ( segi SH3N and resi  61 and name  HB2 ) 2.0 0.2 0.6
assi ( segi SH3N and resi  61 and name  HB1 ) ( segi SH3N and resi  61 and name  HD* ) 2.9 1.1 0.9
assi ( segi SH3N and resi  61 and name  HB2 ) ( segi SH3N and resi  61 and name  HD* ) 2.5 0.7 0.8
assi ( segi SH3N and resi  61 and name   HN ) ( segi SH3N and resi  61 and name   HA ) 2.6 0.8 0.8
assi ( segi SH3N and resi  61 and name   HN ) ( segi SH3N and resi  61 and name  HB1 ) 2.9 1.1 1.9
assi ( segi SH3N and resi  61 and name   HN ) ( segi SH3N and resi  61 and name  HB2 ) 2.5 0.7 0.8
assi ( segi SH3N and resi  61 and name   HN ) ( segi SH3N and resi  61 and name  HD* ) 2.6 0.8 0.8
assi ( segi SH3N and resi  61 and name   HN ) ( segi SH3N and resi  61 and name  HE* ) 3.0 1.2 1.9
assi ( segi SH3N and resi  61 and name  HB1 ) ( segi SH3N and resi  62 and name   HN ) 3.1 1.3 0.9
assi ( segi SH3N and resi  61 and name  HB2 ) ( segi SH3N and resi  62 and name   HN ) 3.0 1.2 0.9
assi ( segi SH3N and resi  61 and name   HN ) ( segi SH3N and resi  62 and name HG2* ) 3.6 1.8 1.1
assi ( segi SH3N and resi  61 and name   HN ) ( segi SH3N and resi  62 and name   HN ) 2.4 0.6 0.7
assi ( segi SH3N and resi  61 and name  HE* ) ( segi SOSE and resi   2 and name  HB* ) 2.4 0.6 1.7
assi ( segi SH3N and resi  61 and name  HE* ) ( segi SOSE and resi   2 and name  HG* ) 3.4 1.6 1.0
assi ( segi SH3N and resi  61 and name  HE* ) ( segi SOSE and resi   3 and name  HB1 ) 3.8 2.0 1.1
assi ( segi SH3N and resi  61 and name  HE* ) ( segi SOSE and resi   3 and name  HB2 ) 2.9 1.1 0.9
assi ( segi SH3N and resi  61 and name  HE* ) ( segi SOSE and resi   3 and name  HG* ) 3.5 1.7 1.1
assi ( segi SH3N and resi  61 and name  HB2 ) ( segi SOSE and resi   5 and name HG1* ) 2.7 0.9 1.8
assi ( segi SH3N and resi  61 and name  HD* ) ( segi SOSE and resi   5 and name   HA ) 3.2 1.4 1.0
assi ( segi SH3N and resi  61 and name  HD* ) ( segi SOSE and resi   5 and name HG1* ) 2.7 0.9 0.8
assi ( segi SH3N and resi  61 and name  HD* ) ( segi SOSE and resi   5 and name HG2* ) 3.1 1.3 0.9
assi ( segi SH3N and resi  61 and name  HE* ) ( segi SOSE and resi   5 and name   HA ) 3.4 1.6 1.0
assi ( segi SH3N and resi  61 and name  HE* ) ( segi SOSE and resi   5 and name HG1* ) 2.9 1.1 0.9
assi ( segi SH3N and resi  61 and name  HE* ) ( segi SOSE and resi   5 and name HG2* ) 2.8 1.0 0.8
assi ( segi SH3N and resi  61 and name   HN ) ( segi SOSE and resi   5 and name HG1* ) 3.5 1.7 1.1
assi ( segi SH3N and resi  61 and name  HD* ) ( segi SOSE and resi   6 and name  HD2 ) 4.4 2.6 1.3
assi ( segi SH3N and resi  61 and name  HE* ) ( segi SOSE and resi   6 and name  HD2 ) 3.6 1.8 1.1
assi ( segi SH3N and resi  61 and name  HE* ) ( segi SOSE and resi   6 and name  HD1 ) 4.1 2.3 1.2
assi ( segi SH3N and resi  62 and name   HA ) ( segi SH3N and resi  62 and name   HB ) 2.2 0.4 0.7
assi ( segi SH3N and resi  62 and name   HA ) ( segi SH3N and resi  62 and name HD1* ) 3.2 1.4 1.0
assi ( segi SH3N and resi  62 and name   HA ) ( segi SH3N and resi  62 and name HG1* ) 2.4 0.6 0.7
assi ( segi SH3N and resi  62 and name   HA ) ( segi SH3N and resi  62 and name HG2* ) 2.3 0.5 0.7
assi ( segi SH3N and resi  62 and name   HB ) ( segi SH3N and resi  62 and name HD1* ) 2.6 0.8 0.8
assi ( segi SH3N and resi  62 and name   HB ) ( segi SH3N and resi  62 and name HG1* ) 2.3 0.5 0.7
assi ( segi SH3N and resi  62 and name   HB ) ( segi SH3N and resi  62 and name HG2* ) 2.3 0.5 0.7
assi ( segi SH3N and resi  62 and name HG1* ) ( segi SH3N and resi  62 and name HD1* ) 2.5 0.7 0.8
assi ( segi SH3N and resi  62 and name HG2* ) ( segi SH3N and resi  62 and name HG1* ) 2.2 0.4 0.7
assi ( segi SH3N and resi  62 and name   HN ) ( segi SH3N and resi  62 and name   HA ) 2.7 0.9 0.8
assi ( segi SH3N and resi  62 and name   HN ) ( segi SH3N and resi  62 and name   HB ) 3.6 1.8 1.1
assi ( segi SH3N and resi  62 and name   HN ) ( segi SH3N and resi  62 and name HD1* ) 3.6 1.8 1.1
assi ( segi SH3N and resi  62 and name   HN ) ( segi SH3N and resi  62 and name HG2* ) 3.0 1.2 0.9
assi ( segi SH3N and resi  62 and name HD1* ) ( segi SH3N and resi  64 and name  HG* ) 3.4 1.6 1.0
assi ( segi SH3N and resi  62 and name HD1* ) ( segi SH3N and resi  64 and name   HN ) 3.5 1.7 1.1
assi ( segi SH3N and resi  62 and name HG1* ) ( segi SH3N and resi  64 and name  HG* ) 3.6 1.8 1.1
assi ( segi SH3N and resi  63 and name   HA ) ( segi SH3N and resi  63 and name  HG* ) 2.1 0.3 0.6
assi ( segi SH3N and resi  63 and name  HB* ) ( segi SH3N and resi  63 and name  HG* ) 2.0 0.2 0.6
assi ( segi SH3N and resi  64 and name   HA ) ( segi SH3N and resi  64 and name  HB* ) 2.4 0.6 0.7
assi ( segi SH3N and resi  64 and name   HA ) ( segi SH3N and resi  64 and name  HG* ) 2.1 0.3 0.6
assi ( segi SH3N and resi  64 and name  HB* ) ( segi SH3N and resi  64 and name  HG* ) 2.0 0.2 0.6
assi ( segi SH3N and resi  64 and name   HN ) ( segi SH3N and resi  64 and name  HB* ) 2.3 0.5 0.7
assi ( segi SH3N and resi  64 and name   HN ) ( segi SH3N and resi  64 and name  HG* ) 2.9 1.1 0.9
assi ( segi SH3N and resi  64 and name   HA ) ( segi SH3N and resi  65 and name   HN ) 2.0 0.2 0.6
assi ( segi SH3N and resi  64 and name  HG* ) ( segi SH3N and resi  65 and name   HN ) 3.4 1.6 1.0
assi ( segi SH3N and resi  64 and name  HB* ) ( segi SH3N and resi  66 and name  HD* ) 2.2 0.4 0.7
assi ( segi SH3N and resi  65 and name   HA ) ( segi SH3N and resi  65 and name  HB1 ) 2.1 0.3 0.6
assi ( segi SH3N and resi  65 and name  HB2 ) ( segi SH3N and resi  65 and name  HG* ) 2.0 0.2 0.6
assi ( segi SH3N and resi  65 and name  HD* ) ( segi SH3N and resi  65 and name  HE* ) 2.8 1.0 0.8
assi ( segi SH3N and resi  65 and name  HG* ) ( segi SH3N and resi  65 and name  HE* ) 3.2 1.4 1.0
assi ( segi SH3N and resi  65 and name   HN ) ( segi SH3N and resi  65 and name  HB2 ) 2.6 0.8 0.8
assi ( segi SH3N and resi  65 and name   HN ) ( segi SH3N and resi  65 and name  HG* ) 2.7 0.9 0.8
assi ( segi SOSE and resi   1 and name   HA ) ( segi SOSE and resi   1 and name   HB ) 3.2 1.4 1.0
assi ( segi SOSE and resi   1 and name   HA ) ( segi SOSE and resi   1 and name  HG* ) 2.0 0.2 0.6
assi ( segi SOSE and resi   1 and name   HA ) ( segi SOSE and resi   1 and name HT2* ) 3.2 1.4 1.0
assi ( segi SOSE and resi   1 and name   HB ) ( segi SOSE and resi   1 and name  HG* ) 2.3 0.5 0.7
assi ( segi SOSE and resi   1 and name   HN ) ( segi SOSE and resi   1 and name   HA ) 3.3 1.5 1.0
assi ( segi SOSE and resi   1 and name   HN ) ( segi SOSE and resi   1 and name   HB ) 2.3 0.5 0.7
assi ( segi SOSE and resi   1 and name   HN ) ( segi SOSE and resi   1 and name  HG* ) 2.1 0.3 0.6
assi ( segi SOSE and resi   1 and name   HN ) ( segi SOSE and resi   1 and name HT2* ) 2.0 0.2 0.6
assi ( segi SOSE and resi   1 and name   HA ) ( segi SOSE and resi   2 and name  HD* ) 2.3 0.5 0.7
assi ( segi SOSE and resi   1 and name  HG* ) ( segi SOSE and resi   2 and name  HB* ) 3.0 1.2 1.9
assi ( segi SOSE and resi   1 and name  HG* ) ( segi SOSE and resi   2 and name  HD* ) 2.5 0.7 0.8
assi ( segi SOSE and resi   1 and name   HN ) ( segi SOSE and resi   2 and name  HD* ) 3.4 1.6 1.0
assi ( segi SOSE and resi   2 and name   HA ) ( segi SOSE and resi   3 and name  HD2 ) 1.8 0.0 0.5
assi ( segi SOSE and resi   2 and name   HA ) ( segi SOSE and resi   3 and name  HD1 ) 1.8 0.0 0.5
assi ( segi SOSE and resi   3 and name   HA ) ( segi SOSE and resi   4 and name  HD2 ) 1.8 0.0 0.5
assi ( segi SOSE and resi   3 and name   HA ) ( segi SOSE and resi   4 and name  HD1 ) 1.8 0.0 0.5
assi ( segi SOSE and resi   3 and name  HB1 ) ( segi SOSE and resi   4 and name  HD2 ) 1.8 0.0 0.5
assi ( segi SOSE and resi   3 and name  HB2 ) ( segi SOSE and resi   5 and name HG2* ) 2.6 0.8 1.8
assi ( segi SOSE and resi   4 and name   HA ) ( segi SOSE and resi   5 and name   HA ) 3.4 1.6 2.0
assi ( segi SOSE and resi   4 and name   HA ) ( segi SOSE and resi   5 and name   HB ) 2.7 0.9 1.8
assi ( segi SOSE and resi   4 and name   HA ) ( segi SOSE and resi   5 and name HG2* ) 3.1 1.3 0.9
assi ( segi SOSE and resi   4 and name   HA ) ( segi SOSE and resi   5 and name   HN ) 2.0 0.2 0.6
assi ( segi SOSE and resi   4 and name  HB1 ) ( segi SOSE and resi   5 and name   HN ) 3.0 1.2 1.9
assi ( segi SOSE and resi   4 and name  HB2 ) ( segi SOSE and resi   5 and name   HN ) 2.8 1.0 1.8
assi ( segi SOSE and resi   5 and name   HA ) ( segi SOSE and resi   5 and name   HB ) 2.1 0.3 0.6
assi ( segi SOSE and resi   5 and name   HA ) ( segi SOSE and resi   5 and name HG1* ) 2.0 0.2 0.6
assi ( segi SOSE and resi   5 and name   HN ) ( segi SOSE and resi   5 and name   HA ) 2.3 0.5 0.7
assi ( segi SOSE and resi   5 and name   HN ) ( segi SOSE and resi   5 and name   HB ) 2.2 0.4 1.7
assi ( segi SOSE and resi   5 and name   HN ) ( segi SOSE and resi   5 and name HG2* ) 2.2 0.4 0.7
assi ( segi SOSE and resi   5 and name   HA ) ( segi SOSE and resi   6 and name  HD2 ) 2.0 0.2 0.6
assi ( segi SOSE and resi   5 and name   HA ) ( segi SOSE and resi   6 and name  HD1 ) 2.3 0.5 0.7
assi ( segi SOSE and resi   5 and name   HB ) ( segi SOSE and resi   6 and name  HD1 ) 2.9 1.1 1.9
assi ( segi SOSE and resi   5 and name HG1* ) ( segi SOSE and resi   6 and name  HD2 ) 2.7 0.9 0.8
assi ( segi SOSE and resi   5 and name HG1* ) ( segi SOSE and resi   6 and name  HD1 ) 2.4 0.6 0.7
assi ( segi SOSE and resi   5 and name   HN ) ( segi SOSE and resi   6 and name  HD2 ) 4.1 2.3 1.2
assi ( segi SOSE and resi   5 and name   HN ) ( segi SOSE and resi   6 and name  HD1 ) 3.6 1.8 2.1
assi ( segi SOSE and resi   6 and name  HB1 ) ( segi SOSE and resi   6 and name  HD2 ) 3.5 1.7 1.1
assi ( segi SOSE and resi   6 and name  HB1 ) ( segi SOSE and resi   6 and name  HD1 ) 3.5 1.7 1.1
assi ( segi SOSE and resi   6 and name   HA ) ( segi SOSE and resi   7 and name  HD2 ) 1.8 0.0 0.5
assi ( segi SOSE and resi   6 and name   HA ) ( segi SOSE and resi   7 and name  HD1 ) 1.8 0.0 0.5
assi ( segi SOSE and resi   6 and name  HB1 ) ( segi SOSE and resi   7 and name  HD2 ) 1.8 0.0 0.7
assi ( segi SOSE and resi   7 and name   HA ) ( segi SOSE and resi   8 and name   HN ) 2.1 0.3 0.6
assi ( segi SOSE and resi   7 and name  HB1 ) ( segi SOSE and resi   8 and name   HN ) 3.1 1.3 1.9
assi ( segi SOSE and resi   7 and name  HB2 ) ( segi SOSE and resi   8 and name   HN ) 3.0 1.2 0.9
assi ( segi SOSE and resi   7 and name  HG* ) ( segi SOSE and resi   8 and name   HN ) 4.0 2.2 1.2
assi ( segi SOSE and resi   8 and name   HA ) ( segi SOSE and resi   8 and name  HB* ) 2.5 0.7 0.8
assi ( segi SOSE and resi   8 and name   HA ) ( segi SOSE and resi   8 and name  HB* ) 3.1 1.3 0.9
assi ( segi SOSE and resi   8 and name  HB* ) ( segi SOSE and resi   8 and name  HG* ) 2.5 0.7 0.8
assi ( segi SOSE and resi   8 and name  HB* ) ( segi SOSE and resi   8 and name  HG* ) 2.5 0.7 0.8
assi ( segi SOSE and resi   8 and name  HB* ) ( segi SOSE and resi   8 and name  HG* ) 2.5 0.7 0.8
assi ( segi SOSE and resi   8 and name   HN ) ( segi SOSE and resi   8 and name   HA ) 2.2 0.4 1.7
assi ( segi SOSE and resi   8 and name   HN ) ( segi SOSE and resi   8 and name  HB* ) 2.9 1.1 0.9
assi ( segi SOSE and resi   8 and name   HN ) ( segi SOSE and resi   8 and name  HB* ) 2.7 0.9 0.8
assi ( segi SH3N and resi  65 and name    O ) ( segi SH3N and resi  11 and name    N ) 3.0 0.2 0.9
assi ( segi SH3N and resi  65 and name    O ) ( segi SH3N and resi  11 and name   HN ) 2.0 0.2 0.6
assi ( segi SH3N and resi  34 and name    O ) ( segi SH3N and resi  12 and name    N ) 3.0 0.2 0.9
assi ( segi SH3N and resi  34 and name    O ) ( segi SH3N and resi  12 and name   HN ) 2.0 0.2 0.6
assi ( segi SH3N and resi  63 and name    O ) ( segi SH3N and resi  13 and name    N ) 3.0 0.2 0.9
assi ( segi SH3N and resi  63 and name    O ) ( segi SH3N and resi  13 and name   HN ) 2.0 0.2 0.6
assi ( segi SH3N and resi  61 and name    O ) ( segi SH3N and resi  15 and name    N ) 3.0 0.2 0.9
assi ( segi SH3N and resi  61 and name    O ) ( segi SH3N and resi  15 and name   HN ) 2.0 0.2 0.6
assi ( segi SH3N and resi  28 and name    O ) ( segi SH3N and resi  18 and name    N ) 3.0 0.2 0.9
assi ( segi SH3N and resi  28 and name    O ) ( segi SH3N and resi  18 and name   HN ) 2.0 0.2 0.6
assi ( segi SH3N and resi  56 and name    O ) ( segi SH3N and resi  26 and name    N ) 3.0 0.2 0.9
assi ( segi SH3N and resi  56 and name    O ) ( segi SH3N and resi  26 and name   HN ) 2.0 0.2 0.6
assi ( segi SH3N and resi  18 and name    O ) ( segi SH3N and resi  28 and name    N ) 3.0 0.2 0.9
assi ( segi SH3N and resi  18 and name    O ) ( segi SH3N and resi  28 and name   HN ) 2.0 0.2 0.6
assi ( segi SH3N and resi  14 and name    O ) ( segi SH3N and resi  31 and name    N ) 3.0 0.2 0.9
assi ( segi SH3N and resi  14 and name    O ) ( segi SH3N and resi  31 and name   HN ) 2.0 0.2 0.6
assi ( segi SH3N and resi  49 and name    O ) ( segi SH3N and resi  35 and name    N ) 3.0 0.2 0.9
assi ( segi SH3N and resi  49 and name    O ) ( segi SH3N and resi  35 and name   HN ) 2.0 0.2 0.6
assi ( segi SH3N and resi  10 and name    O ) ( segi SH3N and resi  36 and name    N ) 3.0 0.2 0.9
assi ( segi SH3N and resi  10 and name    O ) ( segi SH3N and resi  36 and name   HN ) 2.0 0.2 0.6
assi ( segi SH3N and resi  47 and name    O ) ( segi SH3N and resi  37 and name    N ) 3.0 0.2 0.9
assi ( segi SH3N and resi  47 and name    O ) ( segi SH3N and resi  37 and name   HN ) 2.0 0.2 0.6
assi ( segi SH3N and resi  57 and name    O ) ( segi SH3N and resi  46 and name    N ) 3.0 0.2 0.9
assi ( segi SH3N and resi  57 and name    O ) ( segi SH3N and resi  46 and name   HN ) 2.0 0.2 0.6
assi ( segi SH3N and resi  38 and name    O ) ( segi SH3N and resi  47 and name    N ) 3.0 0.2 0.9
assi ( segi SH3N and resi  38 and name    O ) ( segi SH3N and resi  47 and name   HN ) 2.0 0.2 0.6
assi ( segi SH3N and resi  55 and name    O ) ( segi SH3N and resi  48 and name    N ) 3.0 0.2 0.9
assi ( segi SH3N and resi  55 and name    O ) ( segi SH3N and resi  48 and name   HN ) 2.0 0.2 0.6
assi ( segi SH3N and resi  35 and name    O ) ( segi SH3N and resi  49 and name    N ) 3.0 0.2 0.9
assi ( segi SH3N and resi  35 and name    O ) ( segi SH3N and resi  49 and name   HN ) 2.0 0.2 0.6
assi ( segi SH3N and resi  53 and name    O ) ( segi SH3N and resi  50 and name    N ) 3.0 0.2 0.9
assi ( segi SH3N and resi  53 and name    O ) ( segi SH3N and resi  50 and name   HN ) 2.0 0.2 0.6
assi ( segi SH3N and resi  50 and name    O ) ( segi SH3N and resi  53 and name    N ) 3.0 0.2 0.9
assi ( segi SH3N and resi  50 and name    O ) ( segi SH3N and resi  53 and name   HN ) 2.0 0.2 0.6
assi ( segi SH3N and resi  48 and name    O ) ( segi SH3N and resi  55 and name    N ) 3.0 0.2 0.9
assi ( segi SH3N and resi  48 and name    O ) ( segi SH3N and resi  55 and name   HN ) 2.0 0.2 0.6
assi ( segi SH3N and resi  24 and name    O ) ( segi SH3N and resi  56 and name    N ) 3.0 0.2 0.9
assi ( segi SH3N and resi  24 and name    O ) ( segi SH3N and resi  56 and name   HN ) 2.0 0.2 0.6
assi ( segi SH3N and resi  46 and name    O ) ( segi SH3N and resi  57 and name    N ) 3.0 0.2 0.9
assi ( segi SH3N and resi  46 and name    O ) ( segi SH3N and resi  57 and name   HN ) 2.0 0.2 0.6
assi ( segi SH3N and resi  44 and name    O ) ( segi SH3N and resi  59 and name    N ) 3.0 0.2 0.9
assi ( segi SH3N and resi  44 and name    O ) ( segi SH3N and resi  59 and name   HN ) 2.0 0.2 0.6
assi ( segi SH3N and resi  58 and name    O ) ( segi SH3N and resi  61 and name    N ) 3.0 0.2 0.9
assi ( segi SH3N and resi  58 and name    O ) ( segi SH3N and resi  61 and name   HN ) 2.0 0.2 0.6
assi ( segi SH3N and resi  59 and name    O ) ( segi SH3N and resi  62 and name    N ) 3.0 0.2 0.9
assi ( segi SH3N and resi  59 and name    O ) ( segi SH3N and resi  62 and name   HN ) 2.0 0.2 0.6
assi ( segi SH3N and resi  13 and name    O ) ( segi SH3N and resi  63 and name    N ) 3.0 0.2 0.9
assi ( segi SH3N and resi  13 and name    O ) ( segi SH3N and resi  63 and name   HN ) 2.0 0.2 0.6
assi ( segi SH3N and resi  15 and name  HD* ) ( segi SH3N and resi  16 and name  HE* ) 2.9 1.1 0.9
assi ( segi SH3N and resi  40 and name  HG* ) ( segi SH3N and resi  41 and name   HA ) 3.5 1.7 1.1
assi ( segi SH3N and resi  23 and name  HB* ) ( segi SH3N and resi  24 and name   HN ) 3.0 1.2 0.9
assi ( segi SH3N and resi  22 and name   HA ) ( segi SH3N and resi  23 and name  HB* ) 2.9 1.1 0.9
assi ( segi SH3N and resi  52 and name  HA* ) ( segi SH3N and resi  53 and name  HG* ) 3.2 1.4 1.0
assi ( segi SH3N and resi  57 and name HG2* ) ( segi SH3N and resi  58 and name  HD2 ) 3.0 1.2 0.9
assi ( segi SH3N and resi  63 and name  HG* ) ( segi SH3N and resi  64 and name   HN ) 2.5 0.7 0.7
assi ( segi SH3N and resi  40 and name  HG* ) ( segi SH3N and resi  41 and name   HN ) 3.2 1.4 1.0
assi ( segi SH3N and resi  64 and name  HB* ) ( segi SH3N and resi  65 and name   HN ) 2.7 0.9 0.8
assi ( segi SH3N and resi  22 and name   HA ) ( segi SH3N and resi  23 and name  HB* ) 3.5 1.7 1.1
assi ( segi SH3N and resi  14 and name   HA ) ( segi SH3N and resi  15 and name   HA ) 4.8 3.0 1.4
assi ( segi SH3N and resi  54 and name   HA ) ( segi SH3N and resi  55 and name  HA* ) 4.1 2.3 1.2
assi ( segi SH3N and resi  58 and name   HA ) ( segi SH3N and resi  59 and name  HG* ) 3.6 1.8 1.1
assi ( segi SH3N and resi  62 and name   HA ) ( segi SH3N and resi  63 and name  HB* ) 3.6 1.8 1.1
assi ( segi SH3N and resi  18 and name  HB1 ) ( segi SH3N and resi  19 and name   HN ) 3.1 1.3 0.9
assi ( segi SH3N and resi  33 and name HG1* ) ( segi SH3N and resi  34 and name   HN ) 4.4 2.6 1.3
assi ( segi SH3N and resi  50 and name  HB2 ) ( segi SH3N and resi  51 and name   HN ) 4.3 2.5 1.3
assi ( segi SH3N and resi  50 and name  HB1 ) ( segi SH3N and resi  51 and name   HN ) 4.7 2.9 1.4
assi ( segi SH3N and resi  19 and name  HB* ) ( segi SH3N and resi  20 and name   HN ) 4.1 2.3 1.2
assi ( segi SH3N and resi  18 and name  HE* ) ( segi SH3N and resi  20 and name   HA ) 3.1 1.3 0.9
assi ( segi SH3N and resi  59 and name   HA ) ( segi SH3N and resi  62 and name HG1* ) 3.9 2.1 1.2
assi ( segi SH3N and resi  18 and name   HZ ) ( segi SH3N and resi  20 and name   HA ) 3.4 1.6 1.0
assi ( segi SH3N and resi  59 and name   HA ) ( segi SH3N and resi  62 and name HD1* ) 4.8 3.0 1.5
assi ( segi SH3N and resi  51 and name  HB2 ) ( segi SH3N and resi  53 and name  HB* ) 3.5 1.7 1.1
assi ( segi SH3N and resi  50 and name   HN ) ( segi SH3N and resi  54 and name   HA ) 2.4 0.6 0.7
assi ( segi SH3N and resi  42 and name  HB1 ) ( segi SH3N and resi  45 and name  HD1 ) 3.4 1.6 1.0
assi ( segi SH3N and resi  59 and name   HA ) ( segi SH3N and resi  62 and name   HN ) 4.0 2.2 1.2
assi ( segi SH3N and resi  18 and name  HB2 ) ( segi SH3N and resi  61 and name  HD* ) 2.9 1.1 0.9
assi ( segi SH3N and resi  18 and name  HD* ) ( segi SH3N and resi  27 and name   HA ) 2.9 1.1 0.9
assi ( segi SH3N and resi  18 and name   HA ) ( segi SH3N and resi  61 and name  HE* ) 3.5 1.7 1.0
assi ( segi SH3N and resi  49 and name   HA ) ( segi SH3N and resi  54 and name   HA ) 2.2 0.4 0.7
assi ( segi SH3N and resi  15 and name  HE* ) ( segi SH3N and resi  62 and name   HA ) 3.6 1.8 1.1
assi ( segi SH3N and resi  45 and name   HA ) ( segi SH3N and resi  59 and name  HG* ) 3.1 1.3 0.9
assi ( segi SH3N and resi  13 and name   HA ) ( segi SH3N and resi  34 and name  HD* ) 3.5 1.7 1.1
assi ( segi SH3N and resi  13 and name   HA ) ( segi SH3N and resi  34 and name   HN ) 2.8 1.0 0.8
assi ( segi SH3N and resi  47 and name   HA ) ( segi SH3N and resi  57 and name   HN ) 3.3 1.5 1.0
assi ( segi SH3N and resi  10 and name  HB1 ) ( segi SH3N and resi  36 and name  HG* ) 2.9 1.1 0.9
assi ( segi SH3N and resi  34 and name  HD* ) ( segi SH3N and resi  50 and name  HB2 ) 2.7 0.9 0.8
assi ( segi SH3N and resi  28 and name   HZ ) ( segi SH3N and resi  57 and name   HB ) 3.2 1.4 0.9
assi ( segi SH3N and resi  13 and name   HB ) ( segi SH3N and resi  62 and name HD1* ) 3.5 1.7 1.1
assi ( segi SH3N and resi  16 and name   HA ) ( segi SH3N and resi  30 and name  HB* ) 3.4 1.6 1.0
assi ( segi SH3N and resi  28 and name  HB* ) ( segi SH3N and resi  50 and name HD2* ) 2.8 1.0 0.8
assi ( segi SH3N and resi  16 and name   HN ) ( segi SH3N and resi  30 and name   HA ) 3.9 2.1 1.2
assi ( segi SH3N and resi  46 and name  HE* ) ( segi SH3N and resi  59 and name  HD* ) 3.5 1.7 1.1
assi ( segi SH3N and resi  28 and name  HD* ) ( segi SH3N and resi  34 and name  HD* ) 3.9 2.1 1.2
assi ( segi SH3N and resi  18 and name  HB1 ) ( segi SH3N and resi  28 and name   HN ) 3.2 1.4 1.0
assi ( segi SH3N and resi  13 and name   HN ) ( segi SH3N and resi  62 and name   HB ) 2.6 0.8 0.8
assi ( segi SH3N and resi  45 and name  HB2 ) ( segi SH3N and resi  56 and name  HD* ) 2.9 1.1 0.9
assi ( segi SH3N and resi  49 and name   HA ) ( segi SH3N and resi  54 and name  HB2 ) 3.0 1.2 0.9
assi ( segi SH3N and resi  49 and name   HA ) ( segi SH3N and resi  54 and name  HB1 ) 4.0 2.2 1.3
assi ( segi SH3N and resi  39 and name  HB* ) ( segi SH3N and resi  46 and name  HD* ) 3.2 1.4 1.0
assi ( segi SH3N and resi  34 and name  HD* ) ( segi SH3N and resi  62 and name HD1* ) 2.0 0.2 0.6
assi ( segi SH3N and resi  32 and name  HB2 ) ( segi SH3N and resi  50 and name HD2* ) 2.3 0.5 0.7
assi ( segi SH3N and resi  38 and name  HB* ) ( segi SH3N and resi  47 and name  HB* ) 3.7 1.9 1.1
assi ( segi SH3N and resi  38 and name  HB* ) ( segi SH3N and resi  47 and name  HB* ) 3.8 2.0 1.1
assi ( segi SH3N and resi  38 and name  HB* ) ( segi SH3N and resi  47 and name  HB* ) 4.2 2.4 1.3
assi ( segi SH3N and resi  28 and name   HZ ) ( segi SH3N and resi  61 and name   HN ) 2.9 1.1 1.9
assi ( segi SH3N and resi  45 and name  HZ2 ) ( segi SH3N and resi  58 and name  HB1 ) 4.1 2.3 1.2
assi ( segi SH3N and resi  14 and name   HA ) ( segi SH3N and resi  28 and name  HE* ) 3.6 1.8 1.1
assi ( segi SH3N and resi  45 and name  HH2 ) ( segi SH3N and resi  58 and name  HB1 ) 4.0 2.2 1.2
assi ( segi SH3N and resi  39 and name  HB* ) ( segi SH3N and resi  46 and name  HE* ) 2.8 1.0 0.9
assi ( segi SH3N and resi  16 and name   HA ) ( segi SH3N and resi  30 and name   HA ) 4.3 2.5 1.3
assi ( segi SH3N and resi  47 and name  HE* ) ( segi SH3N and resi  56 and name   HZ ) 4.1 2.3 1.2
assi ( segi SH3N and resi  14 and name   HA ) ( segi SH3N and resi  34 and name  HD* ) 3.1 1.3 0.9
assi ( segi SH3N and resi  14 and name   HA ) ( segi SH3N and resi  62 and name HD1* ) 3.2 1.4 0.9
assi ( segi SH3N and resi  12 and name   HA ) ( segi SH3N and resi  34 and name  HD* ) 4.1 2.3 1.2
assi ( segi SH3N and resi  34 and name   HG ) ( segi SH3N and resi  50 and name HD1* ) 2.8 1.0 0.8
assi ( segi SH3N and resi  28 and name   HZ ) ( segi SH3N and resi  34 and name  HD* ) 4.0 2.2 1.2
assi ( segi SH3N and resi  28 and name   HZ ) ( segi SH3N and resi  57 and name HG2* ) 3.5 1.7 1.0

			A chain:
  Entry H atom name         Submitted Coord H atom name
    1    H    MET   1           HN       MET   1   6.172   3.455   4.193
    2    HA   MET   1           HA       MET   1   8.073   1.171   4.056
    3   1HB   MET   1           HB2      MET   1   6.447   0.631   5.653
    4   2HB   MET   1           HB1      MET   1   5.151   1.389   4.847
    5   1HG   MET   1           HG1      MET   1   4.674  -0.443   3.489
    6   2HG   MET   1           HG2      MET   1   6.328  -1.006   3.430
    7   1HE   MET   1           HE1      MET   1   4.543   0.014   6.680
    8   2HE   MET   1           HE3      MET   1   3.164  -0.817   5.975
    9   3HE   MET   1           HE2      MET   1   4.032  -1.505   7.382
   10    H    GLU   2           HN       GLU   2   8.408  -0.028   2.331
   11    HA   GLU   2           HA       GLU   2   7.387   1.013  -0.214
   12   1HB   GLU   2           HB2      GLU   2   9.303  -1.301   0.420
   13   2HB   GLU   2           HB1      GLU   2   8.685  -0.977  -1.170
   14   1HG   GLU   2           HG2      GLU   2   9.636   1.421  -0.951
   15   2HG   GLU   2           HG1      GLU   2  10.491   0.856   0.474
   16    H    ALA   3           HN       ALA   3   5.471   0.537  -0.754
   17    HA   ALA   3           HA       ALA   3   4.174  -1.981   0.098
   18   1HB   ALA   3           HB1      ALA   3   3.370   0.907  -0.313
   19   2HB   ALA   3           HB2      ALA   3   2.133  -0.271  -0.667
   20   3HB   ALA   3           HB3      ALA   3   2.857  -0.223   0.925
   21    H    ILE   4           HN       ILE   4   3.401  -3.368  -1.391
   22    HA   ILE   4           HA       ILE   4   3.785  -2.696  -4.252
   23    HB   ILE   4           HB       ILE   4   4.897  -5.123  -2.791
   24   1HG1  ILE   4           HG11     ILE   4   6.397  -2.903  -4.272
   25   2HG1  ILE   4           HG12     ILE   4   6.301  -3.063  -2.536
   26   1HG2  ILE   4           HG23     ILE   4   4.040  -5.795  -5.039
   27   2HG2  ILE   4           HG22     ILE   4   4.968  -4.503  -5.794
   28   3HG2  ILE   4           HG21     ILE   4   5.779  -5.869  -5.029
   29   1HD1  ILE   4           HD12     ILE   4   7.467  -5.291  -2.684
   30   2HD1  ILE   4           HD13     ILE   4   7.699  -5.020  -4.413
   31   3HD1  ILE   4           HD11     ILE   4   8.436  -3.935  -3.247
   32    H    ALA   5           HN       ALA   5   1.971  -3.051  -5.198
   33    HA   ALA   5           HA       ALA   5  -0.177  -4.530  -4.029
   34   1HB   ALA   5           HB3      ALA   5   0.340  -3.469  -6.854
   35   2HB   ALA   5           HB2      ALA   5  -1.199  -4.146  -6.348
   36   3HB   ALA   5           HB1      ALA   5  -0.557  -2.671  -5.587
   37    H    LYS   6           HN       LYS   6  -0.533  -6.602  -4.001
   38    HA   LYS   6           HA       LYS   6   0.968  -8.563  -5.630
   39   1HB   LYS   6           HB2      LYS   6  -1.073  -8.809  -3.382
   40   2HB   LYS   6           HB1      LYS   6  -0.449 -10.178  -4.279
   41   1HG   LYS   6           HG2      LYS   6   1.896  -8.986  -3.750
   42   2HG   LYS   6           HG1      LYS   6   0.980  -8.352  -2.412
   43   1HD   LYS   6           HD2      LYS   6   0.893 -11.310  -3.069
   44   2HD   LYS   6           HD1      LYS   6   2.290 -10.689  -2.272
   45   1HE   LYS   6           HE1      LYS   6   0.732  -9.680  -0.462
   46   2HE   LYS   6           HE2      LYS   6  -0.569 -10.623  -1.179
   47   1HZ   LYS   6           HZ3      LYS   6   0.736 -12.607  -0.772
   48   2HZ   LYS   6           HZ2      LYS   6   1.959 -11.653  -0.074
   49   3HZ   LYS   6           HZ1      LYS   6   0.427 -11.729   0.652
   50    H    TYR   7           HN       TYR   7  -2.080  -7.022  -5.397
   51    HA   TYR   7           HA       TYR   7  -3.103  -8.540  -7.758
   52   1HB   TYR   7           HB2      TYR   7  -4.763  -7.965  -5.249
   53   2HB   TYR   7           HB1      TYR   7  -5.326  -8.800  -6.699
   54    HD1  TYR   7           HD1      TYR   7  -4.405 -11.108  -7.211
   55    HD2  TYR   7           HD2      TYR   7  -3.489  -9.051  -3.588
   56    HE1  TYR   7           HE1      TYR   7  -3.670 -13.165  -6.283
   57    HE2  TYR   7           HE2      TYR   7  -2.733 -11.060  -2.568
   58    HH   TYR   7           HH       TYR   7  -3.359 -14.023  -3.292
   59    H    ASP   8           HN       ASP   8  -5.054  -7.604  -8.627
   60    HA   ASP   8           HA       ASP   8  -4.617  -4.719  -8.938
   61   1HB   ASP   8           HB2      ASP   8  -6.103  -4.914 -10.892
   62   2HB   ASP   8           HB1      ASP   8  -4.842  -6.119 -10.975
   63    H    PHE   9           HN       PHE   9  -5.813  -3.264  -8.115
   64    HA   PHE   9           HA       PHE   9  -8.444  -3.991  -6.900
   65   1HB   PHE   9           HB2      PHE   9  -6.542  -4.020  -5.137
   66   2HB   PHE   9           HB1      PHE   9  -6.393  -2.281  -5.427
   67    HD1  PHE   9           HD1      PHE   9  -9.093  -4.783  -4.864
   68    HD2  PHE   9           HD2      PHE   9  -7.579  -0.909  -3.895
   69    HE1  PHE   9           HE1      PHE   9 -11.007  -4.405  -3.381
   70    HE2  PHE   9           HE2      PHE   9  -9.482  -0.544  -2.371
   71    HZ   PHE   9           HZ       PHE   9 -11.205  -2.322  -2.098
   72    H    LYS  10           HN       LYS  10  -9.925  -2.749  -7.264
   73    HA   LYS  10           HA       LYS  10  -9.485   0.012  -8.198
   74   1HB   LYS  10           HB2      LYS  10 -10.729  -1.759  -9.566
   75   2HB   LYS  10           HB1      LYS  10 -11.927  -1.842  -8.314
   76   1HG   LYS  10           HG2      LYS  10 -13.028  -0.184  -9.378
   77   2HG   LYS  10           HG1      LYS  10 -11.823   0.890  -8.759
   78   1HD   LYS  10           HD2      LYS  10 -11.950   1.290 -11.125
   79   2HD   LYS  10           HD1      LYS  10 -10.411   0.522 -10.797
   80   1HE   LYS  10           HE1      LYS  10 -11.725  -0.365 -12.858
   81   2HE   LYS  10           HE2      LYS  10 -11.136  -1.582 -11.745
   82   1HZ   LYS  10           HZ3      LYS  10 -13.289  -1.639 -10.730
   83   2HZ   LYS  10           HZ2      LYS  10 -13.869  -0.503 -11.847
   84   3HZ   LYS  10           HZ1      LYS  10 -13.349  -2.035 -12.378
   85    H    ALA  11           HN       ALA  11  -9.918   1.575  -6.622
   86    HA   ALA  11           HA       ALA  11 -10.878   1.066  -4.055
   87   1HB   ALA  11           HB2      ALA  11  -9.959   3.319  -4.606
   88   2HB   ALA  11           HB1      ALA  11 -11.520   3.737  -5.401
   89   3HB   ALA  11           HB3      ALA  11 -11.460   3.386  -3.722
   90    H    THR  12           HN       THR  12 -12.602   1.575  -2.900
   91    HA   THR  12           HA       THR  12 -15.242   0.973  -4.121
   92    HB   THR  12           HB       THR  12 -15.796   0.082  -1.945
   93    HG1  THR  12           HG1      THR  12 -13.319   1.237  -0.705
   94   1HG2  THR  12           HG21     THR  12 -13.080  -0.985  -2.911
   95   2HG2  THR  12           HG23     THR  12 -14.144  -1.782  -1.737
   96   3HG2  THR  12           HG22     THR  12 -14.695  -1.426  -3.359
   97    H    ALA  13           HN       ALA  13 -13.396   3.339  -2.528
   98    HA   ALA  13           HA       ALA  13 -15.743   5.155  -2.323
   99   1HB   ALA  13           HB1      ALA  13 -15.488   3.915  -0.111
  100   2HB   ALA  13           HB2      ALA  13 -13.841   4.513   0.022
  101   3HB   ALA  13           HB3      ALA  13 -15.194   5.641   0.082
  102    H    ASP  14           HN       ASP  14 -15.140   7.236  -1.518
  103    HA   ASP  14           HA       ASP  14 -13.359   8.472  -3.341
  104   1HB   ASP  14           HB2      ASP  14 -15.577   9.263  -2.448
  105   2HB   ASP  14           HB1      ASP  14 -14.867   9.514  -0.873
  106    H    ASP  15           HN       ASP  15 -12.987   7.346  -0.082
  107    HA   ASP  15           HA       ASP  15 -10.654   9.016   0.497
  108   1HB   ASP  15           HB2      ASP  15 -10.747   7.814   2.720
  109   2HB   ASP  15           HB1      ASP  15 -12.202   8.636   2.217
  110    H    GLU  16           HN       GLU  16 -11.387   6.047  -0.817
  111    HA   GLU  16           HA       GLU  16  -8.662   4.870  -0.624
  112   1HB   GLU  16           HB2      GLU  16 -11.389   3.909  -1.610
  113   2HB   GLU  16           HB1      GLU  16  -9.962   3.010  -2.043
  114   1HG   GLU  16           HG2      GLU  16  -9.396   2.620   0.286
  115   2HG   GLU  16           HG1      GLU  16 -10.747   3.590   0.840
  116    H    LEU  17           HN       LEU  17  -7.560   4.209  -2.331
  117    HA   LEU  17           HA       LEU  17  -8.346   5.079  -5.098
  118   1HB   LEU  17           HB2      LEU  17  -6.298   6.132  -5.678
  119   2HB   LEU  17           HB1      LEU  17  -6.925   6.851  -4.238
  120    HG   LEU  17           HG       LEU  17  -5.265   5.206  -2.981
  121   1HD1  LEU  17           HD12     LEU  17  -4.451   3.978  -5.058
  122   2HD1  LEU  17           HD13     LEU  17  -3.833   5.534  -5.677
  123   3HD1  LEU  17           HD11     LEU  17  -3.172   4.826  -4.217
  124   1HD2  LEU  17           HD23     LEU  17  -5.183   7.735  -3.115
  125   2HD2  LEU  17           HD22     LEU  17  -3.605   6.937  -2.941
  126   3HD2  LEU  17           HD21     LEU  17  -4.120   7.590  -4.498
  127    H    SER  18           HN       SER  18  -7.342   4.298  -6.766
  128    HA   SER  18           HA       SER  18  -7.175   1.386  -6.597
  129   1HB   SER  18           HB2      SER  18  -6.854   3.371  -8.961
  130   2HB   SER  18           HB1      SER  18  -7.253   1.675  -9.116
  131    HG   SER  18           HG       SER  18  -9.516   3.194  -7.825
  132    H    PHE  19           HN       PHE  19  -5.818   0.216  -7.667
  133    HA   PHE  19           HA       PHE  19  -3.228   1.038  -8.698
  134   1HB   PHE  19           HB2      PHE  19  -1.875  -0.452  -7.153
  135   2HB   PHE  19           HB1      PHE  19  -2.559   0.943  -6.373
  136    HD1  PHE  19           HD2      PHE  19  -4.274   0.783  -4.694
  137    HD2  PHE  19           HD1      PHE  19  -2.775  -2.763  -6.593
  138    HE1  PHE  19           HE2      PHE  19  -5.180  -0.594  -2.884
  139    HE2  PHE  19           HE1      PHE  19  -3.603  -4.102  -4.745
  140    HZ   PHE  19           HZ       PHE  19  -4.801  -3.033  -2.860
  141    H    LYS  20           HN       LYS  20  -2.134  -0.575  -9.716
  142    HA   LYS  20           HA       LYS  20  -3.858  -2.849 -10.570
  143   1HB   LYS  20           HB2      LYS  20  -1.490  -1.435 -11.906
  144   2HB   LYS  20           HB1      LYS  20  -2.333  -2.779 -12.619
  145   1HG   LYS  20           HG2      LYS  20  -4.332  -1.529 -12.968
  146   2HG   LYS  20           HG1      LYS  20  -3.888  -0.259 -11.866
  147   1HD   LYS  20           HD2      LYS  20  -2.332  -0.812 -14.430
  148   2HD   LYS  20           HD1      LYS  20  -3.687   0.290 -14.346
  149   1HE   LYS  20           HE1      LYS  20  -2.501   1.660 -12.614
  150   2HE   LYS  20           HE2      LYS  20  -1.114   0.581 -12.702
  151   1HZ   LYS  20           HZ2      LYS  20  -2.186   2.197 -14.921
  152   2HZ   LYS  20           HZ1      LYS  20  -0.807   2.532 -13.991
  153   3HZ   LYS  20           HZ3      LYS  20  -0.841   1.164 -14.991
  154    H    ARG  21           HN       ARG  21  -3.089  -4.800 -10.386
  155    HA   ARG  21           HA       ARG  21  -1.323  -5.729  -8.573
  156   1HB   ARG  21           HB2      ARG  21  -2.854  -7.065 -10.040
  157   2HB   ARG  21           HB1      ARG  21  -1.733  -6.976 -11.354
  158   1HG   ARG  21           HG2      ARG  21  -0.634  -8.018  -8.761
  159   2HG   ARG  21           HG1      ARG  21  -1.855  -9.005  -9.533
  160   1HD   ARG  21           HD2      ARG  21  -0.379  -8.838 -11.694
  161   2HD   ARG  21           HD1      ARG  21   0.909  -8.300 -10.589
  162    HE   ARG  21           HE       ARG  21  -0.357 -10.613  -9.537
  163   1HH1  ARG  21           HH21     ARG  21   1.736  -9.588 -12.189
  164   2HH1  ARG  21           HH22     ARG  21   2.441 -11.152 -12.411
  165   1HH2  ARG  21           HH11     ARG  21   0.578 -12.657  -9.865
  166   2HH2  ARG  21           HH12     ARG  21   1.777 -12.903 -11.091
  167    H    GLY  22           HN       GLY  22   0.518  -4.654  -8.253
  168   1HA   GLY  22           HA2      GLY  22   2.916  -5.228  -8.568
  169   2HA   GLY  22           HA1      GLY  22   2.706  -4.843 -10.292
  170    H    ASP  23           HN       ASP  23   0.896  -2.456  -8.367
  171    HA   ASP  23           HA       ASP  23   2.820  -0.535  -9.239
  172   1HB   ASP  23           HB2      ASP  23   0.343  -0.262  -7.387
  173   2HB   ASP  23           HB1      ASP  23   1.401   1.000  -7.850
  174    H    ILE  24           HN       ILE  24   3.971   0.864  -8.067
  175    HA   ILE  24           HA       ILE  24   4.883  -0.097  -5.413
  176    HB   ILE  24           HB       ILE  24   6.296   1.770  -7.359
  177   1HG1  ILE  24           HG11     ILE  24   6.755  -1.175  -6.673
  178   2HG1  ILE  24           HG12     ILE  24   6.198  -0.552  -8.203
  179   1HG2  ILE  24           HG23     ILE  24   6.844   2.210  -4.932
  180   2HG2  ILE  24           HG21     ILE  24   7.314   0.525  -4.754
  181   3HG2  ILE  24           HG22     ILE  24   8.225   1.598  -5.816
  182   1HD1  ILE  24           HD11     ILE  24   8.420   0.676  -8.452
  183   2HD1  ILE  24           HD13     ILE  24   8.981  -0.162  -7.002
  184   3HD1  ILE  24           HD12     ILE  24   8.548  -1.082  -8.435
  185    H    LEU  25           HN       LEU  25   3.971   0.809  -3.836
  186    HA   LEU  25           HA       LEU  25   2.660   3.404  -3.921
  187   1HB   LEU  25           HB2      LEU  25   2.723   0.781  -2.394
  188   2HB   LEU  25           HB1      LEU  25   1.888   2.086  -1.622
  189    HG   LEU  25           HG       LEU  25   0.148   1.970  -3.063
  190   1HD1  LEU  25           HD13     LEU  25   1.309   2.276  -5.248
  191   2HD1  LEU  25           HD11     LEU  25   1.691   0.555  -5.256
  192   3HD1  LEU  25           HD12     LEU  25   0.025   1.083  -5.296
  193   1HD2  LEU  25           HD21     LEU  25   0.318  -0.285  -1.915
  194   2HD2  LEU  25           HD22     LEU  25  -0.488  -0.389  -3.493
  195   3HD2  LEU  25           HD23     LEU  25   1.181  -0.888  -3.330
  196    H    LYS  26           HN       LYS  26   2.740   4.588  -2.031
  197    HA   LYS  26           HA       LYS  26   5.211   4.202  -0.377
  198   1HB   LYS  26           HB2      LYS  26   5.334   6.092  -2.233
  199   2HB   LYS  26           HB1      LYS  26   4.348   7.003  -1.115
  200   1HG   LYS  26           HG2      LYS  26   6.099   6.354   0.683
  201   2HG   LYS  26           HG1      LYS  26   7.121   5.896  -0.666
  202   1HD   LYS  26           HD2      LYS  26   7.605   8.066  -1.193
  203   2HD   LYS  26           HD1      LYS  26   5.944   8.571  -1.049
  204   1HE   LYS  26           HE1      LYS  26   6.197   8.524   1.490
  205   2HE   LYS  26           HE2      LYS  26   7.923   8.249   1.251
  206   1HZ   LYS  26           HZ1      LYS  26   6.390  10.508   0.128
  207   2HZ   LYS  26           HZ2      LYS  26   7.320  10.590   1.547
  208   3HZ   LYS  26           HZ3      LYS  26   8.065  10.279   0.053
  209    H    VAL  27           HN       VAL  27   4.742   3.760   1.559
  210    HA   VAL  27           HA       VAL  27   2.077   4.518   2.547
  211    HB   VAL  27           HB       VAL  27   4.270   2.861   3.779
  212   1HG1  VAL  27           HG11     VAL  27   2.630   3.607   5.497
  213   2HG1  VAL  27           HG12     VAL  27   1.301   2.984   4.515
  214   3HG1  VAL  27           HG13     VAL  27   2.493   1.881   5.206
  215   1HG2  VAL  27           HG22     VAL  27   1.911   1.997   2.033
  216   2HG2  VAL  27           HG23     VAL  27   3.612   1.792   1.699
  217   3HG2  VAL  27           HG21     VAL  27   2.877   0.885   3.008
  218    H    LEU  28           HN       LEU  28   1.888   6.358   3.236
  219    HA   LEU  28           HA       LEU  28   4.028   7.921   4.477
  220   1HB   LEU  28           HB2      LEU  28   2.498   8.704   2.591
  221   2HB   LEU  28           HB1      LEU  28   1.134   8.496   3.634
  222    HG   LEU  28           HG       LEU  28   2.223  10.220   5.230
  223   1HD1  LEU  28           HD13     LEU  28   3.958  10.757   2.771
  224   2HD1  LEU  28           HD11     LEU  28   3.872  11.776   4.207
  225   3HD1  LEU  28           HD12     LEU  28   4.537  10.153   4.325
  226   1HD2  LEU  28           HD23     LEU  28   0.290  10.747   3.750
  227   2HD2  LEU  28           HD21     LEU  28   1.365  12.130   3.926
  228   3HD2  LEU  28           HD22     LEU  28   1.400  11.173   2.447
  229    H    ASN  29           HN       ASN  29   0.940   6.339   5.241
  230    HA   ASN  29           HA       ASN  29   1.526   6.742   8.081
  231   1HB   ASN  29           HB2      ASN  29   0.122   8.769   7.021
  232   2HB   ASN  29           HB1      ASN  29  -1.227   7.664   7.072
  233   1HD2  ASN  29           HD22     ASN  29  -1.572   9.541  10.098
  234   2HD2  ASN  29           HD21     ASN  29  -1.839   9.661   8.388
  235    H    GLU  30           HN       GLU  30   0.251   5.696   9.460
  236    HA   GLU  30           HA       GLU  30  -1.755   3.803   8.944
  237   1HB   GLU  30           HB2      GLU  30  -0.441   1.694   9.376
  238   2HB   GLU  30           HB1      GLU  30  -0.082   2.443   7.847
  239   1HG   GLU  30           HG2      GLU  30   2.038   3.409   8.758
  240   2HG   GLU  30           HG1      GLU  30   1.704   2.714  10.332
  241    H    GLU  31           HN       GLU  31  -2.837   4.090  10.754
  242    HA   GLU  31           HA       GLU  31  -1.600   3.731  13.323
  243   1HB   GLU  31           HB2      GLU  31  -1.880   6.086  14.168
  244   2HB   GLU  31           HB1      GLU  31  -0.671   5.964  12.919
  245   1HG   GLU  31           HG2      GLU  31  -2.352   6.592  11.199
  246   2HG   GLU  31           HG1      GLU  31  -3.562   6.742  12.451
  247    H    CYS  32           HN       CYS  32  -3.748   2.723  11.926
  248    HA   CYS  32           HA       CYS  32  -5.786   3.001  14.017
  249   1HB   CYS  32           HB2      CYS  32  -6.426   4.001  11.190
  250   2HB   CYS  32           HB1      CYS  32  -7.667   3.592  12.350
  251    HG   CYS  32           HG       CYS  32  -7.481   6.380  12.331
  252    H    ASP  33           HN       ASP  33  -6.337   2.116  10.659
  253    HA   ASP  33           HA       ASP  33  -7.463  -0.448  11.502
  254   1HB   ASP  33           HB2      ASP  33  -7.047   0.637   8.664
  255   2HB   ASP  33           HB1      ASP  33  -7.996  -0.783   9.146
  256    H    GLN  34           HN       GLN  34  -6.692  -2.308  11.395
  257    HA   GLN  34           HA       GLN  34  -3.968  -2.811  10.278
  258   1HB   GLN  34           HB2      GLN  34  -5.690  -4.459  12.221
  259   2HB   GLN  34           HB1      GLN  34  -4.124  -4.944  11.621
  260   1HG   GLN  34           HG2      GLN  34  -3.118  -2.855  12.679
  261   2HG   GLN  34           HG1      GLN  34  -4.675  -2.528  13.429
  262   1HE2  GLN  34           HE21     GLN  34  -5.476  -3.903  15.068
  263   2HE2  GLN  34           HE22     GLN  34  -4.447  -5.018  15.897
  264    H    ASN  35           HN       ASN  35  -5.514  -2.348   8.476
  265    HA   ASN  35           HA       ASN  35  -6.161  -4.580   6.908
  266   1HB   ASN  35           HB2      ASN  35  -8.467  -3.125   8.322
  267   2HB   ASN  35           HB1      ASN  35  -8.700  -3.766   6.695
  268   1HD2  ASN  35           HD22     ASN  35  -9.747  -6.153   9.404
  269   2HD2  ASN  35           HD21     ASN  35  -9.942  -4.419   9.225
  270    H    TRP  36           HN       TRP  36  -6.221  -1.018   7.545
  271    HA   TRP  36           HA       TRP  36  -5.961  -0.690   4.606
  272   1HB   TRP  36           HB2      TRP  36  -7.612   1.042   6.482
  273   2HB   TRP  36           HB1      TRP  36  -7.358   1.373   4.768
  274    HD1  TRP  36           HD1      TRP  36  -9.215  -1.255   7.077
  275    HE1  TRP  36           HE1      TRP  36 -10.804  -2.578   5.650
  276    HE3  TRP  36           HE3      TRP  36  -8.083   0.713   2.488
  277    HZ2  TRP  36           HZ2      TRP  36 -11.450  -2.831   2.935
  278    HZ3  TRP  36           HZ3      TRP  36  -9.211  -0.133   0.477
  279    HH2  TRP  36           HH2      TRP  36 -10.931  -1.886   0.682
  280    H    TYR  37           HN       TYR  37  -4.412   0.286   4.063
  281    HA   TYR  37           HA       TYR  37  -2.635   1.965   5.848
  282   1HB   TYR  37           HB2      TYR  37  -2.087   0.658   3.100
  283   2HB   TYR  37           HB1      TYR  37  -0.939   1.707   3.927
  284    HD1  TYR  37           HD2      TYR  37  -1.016   0.807   6.696
  285    HD2  TYR  37           HD1      TYR  37  -1.183  -1.461   3.074
  286    HE1  TYR  37           HE2      TYR  37  -0.013  -1.017   7.839
  287    HE2  TYR  37           HE1      TYR  37  -0.240  -3.329   4.116
  288    HH   TYR  37           HH       TYR  37   1.484  -3.610   6.650
  289    H    LYS  38           HN       LYS  38  -2.057   4.058   5.250
  290    HA   LYS  38           HA       LYS  38  -3.612   5.218   2.983
  291   1HB   LYS  38           HB2      LYS  38  -3.943   6.127   5.299
  292   2HB   LYS  38           HB1      LYS  38  -2.273   6.631   5.346
  293   1HG   LYS  38           HG2      LYS  38  -2.663   8.176   3.455
  294   2HG   LYS  38           HG1      LYS  38  -4.285   7.552   3.248
  295   1HD   LYS  38           HD2      LYS  38  -4.880   8.292   5.555
  296   2HD   LYS  38           HD1      LYS  38  -3.280   8.973   5.757
  297   1HE   LYS  38           HE1      LYS  38  -3.666  10.561   3.927
  298   2HE   LYS  38           HE2      LYS  38  -5.219   9.809   3.554
  299   1HZ   LYS  38           HZ1      LYS  38  -6.001  10.489   5.715
  300   2HZ   LYS  38           HZ3      LYS  38  -4.511  11.251   6.017
  301   3HZ   LYS  38           HZ2      LYS  38  -5.506  11.799   4.752
  302    H    ALA  39           HN       ALA  39  -2.278   4.711   1.252
  303    HA   ALA  39           HA       ALA  39   0.566   5.569   1.472
  304   1HB   ALA  39           HB2      ALA  39   0.153   3.060   1.127
  305   2HB   ALA  39           HB3      ALA  39  -0.621   3.434  -0.404
  306   3HB   ALA  39           HB1      ALA  39   1.096   3.767  -0.176
  307    H    GLU  40           HN       GLU  40   1.430   5.660  -1.035
  308    HA   GLU  40           HA       GLU  40  -0.383   7.676  -2.327
  309   1HB   GLU  40           HB2      GLU  40   1.512   8.643  -1.003
  310   2HB   GLU  40           HB1      GLU  40   2.630   7.699  -1.947
  311   1HG   GLU  40           HG2      GLU  40   1.951   8.972  -4.026
  312   2HG   GLU  40           HG1      GLU  40   0.845   9.924  -3.050
  313    H    LEU  41           HN       LEU  41  -0.727   7.571  -4.276
  314    HA   LEU  41           HA       LEU  41   1.065   6.519  -6.347
  315   1HB   LEU  41           HB2      LEU  41  -1.516   5.282  -5.458
  316   2HB   LEU  41           HB1      LEU  41  -1.385   5.430  -7.215
  317    HG   LEU  41           HG       LEU  41   0.347   3.979  -5.245
  318   1HD1  LEU  41           HD13     LEU  41  -2.028   3.397  -7.063
  319   2HD1  LEU  41           HD11     LEU  41  -0.893   2.114  -6.804
  320   3HD1  LEU  41           HD12     LEU  41  -1.747   2.853  -5.413
  321   1HD2  LEU  41           HD23     LEU  41   0.389   4.309  -8.293
  322   2HD2  LEU  41           HD21     LEU  41   1.741   4.510  -7.156
  323   3HD2  LEU  41           HD22     LEU  41   1.099   2.884  -7.506
  324    H    ASN  42           HN       ASN  42   0.851   7.312  -8.157
  325    HA   ASN  42           HA       ASN  42   0.187   8.549  -9.907
  326   1HB   ASN  42           HB2      ASN  42  -1.632   6.593  -9.134
  327   2HB   ASN  42           HB1      ASN  42  -2.729   7.859  -9.234
  328   1HD2  ASN  42           HD22     ASN  42  -1.442   5.739 -12.346
  329   2HD2  ASN  42           HD21     ASN  42  -1.274   5.436 -10.651
  330    H    GLY  43           HN       GLY  43   0.667  10.101  -7.679
  331   1HA   GLY  43           HA2      GLY  43   0.570  12.311  -7.142
  332   2HA   GLY  43           HA1      GLY  43  -0.620  12.565  -8.449
  333    H    LYS  44           HN       LYS  44  -1.561  10.072  -6.143
  334    HA   LYS  44           HA       LYS  44  -3.205  11.951  -4.639
  335   1HB   LYS  44           HB2      LYS  44  -3.997   9.344  -6.091
  336   2HB   LYS  44           HB1      LYS  44  -5.038  10.184  -4.957
  337   1HG   LYS  44           HG2      LYS  44  -4.901  12.236  -6.455
  338   2HG   LYS  44           HG1      LYS  44  -4.024  11.281  -7.622
  339   1HD   LYS  44           HD2      LYS  44  -5.963   9.710  -7.802
  340   2HD   LYS  44           HD1      LYS  44  -6.840  10.664  -6.627
  341   1HE   LYS  44           HE1      LYS  44  -6.697  12.668  -8.170
  342   2HE   LYS  44           HE2      LYS  44  -5.891  11.666  -9.365
  343   1HZ   LYS  44           HZ1      LYS  44  -8.546  10.435  -8.878
  344   2HZ   LYS  44           HZ2      LYS  44  -8.148  11.486  -8.078
  345   3HZ   LYS  44           HZ3      LYS  44  -7.274  10.467  -9.383
  346    H    ASP  45           HN       ASP  45  -4.150  10.714  -2.838
  347    HA   ASP  45           HA       ASP  45  -2.480   8.514  -1.843
  348   1HB   ASP  45           HB2      ASP  45  -1.487   9.559  -0.057
  349   2HB   ASP  45           HB1      ASP  45  -1.607  10.952  -1.088
  350    H    GLY  46           HN       GLY  46  -3.547   7.115  -0.504
  351   1HA   GLY  46           HA2      GLY  46  -6.174   7.703   0.579
  352   2HA   GLY  46           HA1      GLY  46  -6.268   6.821  -0.966
  353    H    PHE  47           HN       PHE  47  -7.418   5.676   0.964
  354    HA   PHE  47           HA       PHE  47  -5.739   3.807   2.334
  355   1HB   PHE  47           HB2      PHE  47  -8.751   4.016   1.968
  356   2HB   PHE  47           HB1      PHE  47  -7.985   2.817   3.008
  357    HD1  PHE  47           HD2      PHE  47  -6.478   3.589   4.893
  358    HD2  PHE  47           HD1      PHE  47  -8.971   6.271   2.697
  359    HE1  PHE  47           HE2      PHE  47  -6.220   5.280   6.662
  360    HE2  PHE  47           HE1      PHE  47  -8.690   7.970   4.425
  361    HZ   PHE  47           HZ       PHE  47  -7.323   7.484   6.442
  362    H    ILE  48           HN       ILE  48  -5.333   1.744   2.009
  363    HA   ILE  48           HA       ILE  48  -6.390   0.343  -0.356
  364    HB   ILE  48           HB       ILE  48  -4.124  -0.415  -0.979
  365   1HG1  ILE  48           HG11     ILE  48  -3.030   1.649   0.991
  366   2HG1  ILE  48           HG12     ILE  48  -3.008  -0.085   1.243
  367   1HG2  ILE  48           HG21     ILE  48  -5.184   1.596  -2.088
  368   2HG2  ILE  48           HG22     ILE  48  -4.271   2.639  -1.011
  369   3HG2  ILE  48           HG23     ILE  48  -3.432   1.609  -2.164
  370   1HD1  ILE  48           HD13     ILE  48  -1.618  -0.361  -0.820
  371   2HD1  ILE  48           HD12     ILE  48  -1.532   1.389  -0.981
  372   3HD1  ILE  48           HD11     ILE  48  -0.826   0.603   0.426
  373    HA   PRO  49           HA       PRO  49  -6.647  -2.760   2.800
  374   1HB   PRO  49           HB2      PRO  49  -6.844  -5.079   1.118
  375   2HB   PRO  49           HB1      PRO  49  -8.133  -4.064   1.789
  376   1HG   PRO  49           HG2      PRO  49  -7.279  -4.174  -0.987
  377   2HG   PRO  49           HG1      PRO  49  -8.649  -3.341  -0.234
  378   1HD   PRO  49           HD2      PRO  49  -6.113  -2.165  -1.130
  379   2HD   PRO  49           HD1      PRO  49  -7.575  -1.357  -0.546
  380    H    LYS  50           HN       LYS  50  -5.196  -3.983   4.087
  381    HA   LYS  50           HA       LYS  50  -2.521  -4.232   3.036
  382   1HB   LYS  50           HB2      LYS  50  -3.450  -5.931   5.370
  383   2HB   LYS  50           HB1      LYS  50  -1.865  -5.257   5.071
  384   1HG   LYS  50           HG2      LYS  50  -2.938  -2.933   5.472
  385   2HG   LYS  50           HG1      LYS  50  -4.366  -3.808   5.904
  386   1HD   LYS  50           HD2      LYS  50  -1.745  -3.765   7.397
  387   2HD   LYS  50           HD1      LYS  50  -3.301  -3.299   7.969
  388   1HE   LYS  50           HE1      LYS  50  -3.991  -5.768   7.857
  389   2HE   LYS  50           HE2      LYS  50  -2.333  -6.135   7.384
  390   1HZ   LYS  50           HZ3      LYS  50  -1.572  -5.168   9.418
  391   2HZ   LYS  50           HZ2      LYS  50  -3.172  -4.865   9.902
  392   3HZ   LYS  50           HZ1      LYS  50  -2.648  -6.462   9.672
  393    H    ASN  51           HN       ASN  51  -5.266  -6.456   2.841
  394    HA   ASN  51           HA       ASN  51  -3.515  -8.740   2.307
  395   1HB   ASN  51           HB2      ASN  51  -5.672  -9.989   1.729
  396   2HB   ASN  51           HB1      ASN  51  -5.346  -9.517   3.371
  397   1HD2  ASN  51           HD22     ASN  51  -8.523  -8.001   1.384
  398   2HD2  ASN  51           HD21     ASN  51  -7.307  -8.960   0.575
  399    H    TYR  52           HN       TYR  52  -4.899  -6.243   0.273
  400    HA   TYR  52           HA       TYR  52  -4.315  -7.810  -2.092
  401   1HB   TYR  52           HB2      TYR  52  -5.283  -5.018  -1.465
  402   2HB   TYR  52           HB1      TYR  52  -4.606  -5.312  -3.065
  403    HD1  TYR  52           HD2      TYR  52  -7.102  -6.821  -0.688
  404    HD2  TYR  52           HD1      TYR  52  -5.978  -6.078  -4.748
  405    HE1  TYR  52           HE2      TYR  52  -9.142  -7.841  -1.407
  406    HE2  TYR  52           HE1      TYR  52  -7.895  -7.068  -5.546
  407    HH   TYR  52           HH       TYR  52 -10.613  -7.700  -4.353
  408    H    ILE  53           HN       ILE  53  -2.211  -6.255   0.015
  409    HA   ILE  53           HA       ILE  53  -0.116  -6.125  -2.094
  410    HB   ILE  53           HB       ILE  53   0.044  -3.941  -1.858
  411   1HG1  ILE  53           HG11     ILE  53   0.980  -4.497   0.994
  412   2HG1  ILE  53           HG12     ILE  53   1.943  -4.265  -0.473
  413   1HG2  ILE  53           HG21     ILE  53  -2.280  -3.814  -1.082
  414   2HG2  ILE  53           HG23     ILE  53  -1.722  -3.938   0.609
  415   3HG2  ILE  53           HG22     ILE  53  -1.319  -2.550  -0.393
  416   1HD1  ILE  53           HD13     ILE  53   1.164  -2.026  -0.684
  417   2HD1  ILE  53           HD12     ILE  53   0.359  -2.110   0.900
  418   3HD1  ILE  53           HD11     ILE  53   2.100  -2.341   0.811
  419    H    GLU  54           HN       GLU  54   2.002  -6.347  -1.452
  420    HA   GLU  54           HA       GLU  54   2.529  -8.039   0.915
  421   1HB   GLU  54           HB2      GLU  54   3.119  -9.051  -1.297
  422   2HB   GLU  54           HB1      GLU  54   4.147  -7.699  -1.683
  423   1HG   GLU  54           HG2      GLU  54   5.629  -8.237   0.270
  424   2HG   GLU  54           HG1      GLU  54   4.547  -9.528   0.749
  425    H    MET  55           HN       MET  55   3.339  -6.940   2.476
  426    HA   MET  55           HA       MET  55   4.391  -4.258   2.081
  427   1HB   MET  55           HB2      MET  55   3.986  -5.835   4.649
  428   2HB   MET  55           HB1      MET  55   4.106  -4.109   4.514
  429   1HG   MET  55           HG1      MET  55   1.937  -3.924   3.408
  430   2HG   MET  55           HG2      MET  55   1.839  -5.615   3.062
  431   1HE   MET  55           HE1      MET  55   2.159  -7.470   4.617
  432   2HE   MET  55           HE3      MET  55   2.752  -6.999   6.232
  433   3HE   MET  55           HE2      MET  55   1.095  -7.583   6.012
  434    H    LYS  56           HN       LYS  56   6.286  -3.525   2.571
  435    HA   LYS  56           HA       LYS  56   8.509  -5.169   3.586
  436   1HB   LYS  56           HB2      LYS  56   8.532  -3.748   0.855
  437   2HB   LYS  56           HB1      LYS  56   9.915  -4.519   1.574
  438   1HG   LYS  56           HG2      LYS  56   7.365  -6.001   0.750
  439   2HG   LYS  56           HG1      LYS  56   8.701  -5.769  -0.296
  440   1HD   LYS  56           HD2      LYS  56   9.113  -7.104   2.404
  441   2HD   LYS  56           HD1      LYS  56   8.522  -8.009   1.041
  442   1HE   LYS  56           HE1      LYS  56  11.147  -6.437   0.933
  443   2HE   LYS  56           HE2      LYS  56  11.031  -8.139   1.355
  444   1HZ   LYS  56           HZ3      LYS  56  10.029  -8.567  -0.769
  445   2HZ   LYS  56           HZ2      LYS  56  10.181  -6.928  -1.181
  446   3HZ   LYS  56           HZ1      LYS  56  11.569  -7.868  -0.916
  447    HA   PRO  57           HA       PRO  57   8.117  -0.742   4.927
  448   1HB   PRO  57           HB2      PRO  57   8.752  -1.042   7.595
  449   2HB   PRO  57           HB1      PRO  57   7.199  -1.375   6.910
  450   1HG   PRO  57           HG2      PRO  57   9.344  -3.397   7.473
  451   2HG   PRO  57           HG1      PRO  57   7.618  -3.510   7.859
  452   1HD   PRO  57           HD2      PRO  57   8.691  -4.722   5.651
  453   2HD   PRO  57           HD1      PRO  57   7.034  -4.069   5.620

  No H/Q in entry =         550

			B chain:
  Entry H atom name         Submitted Coord H atom name
    1   1H    ACE   0          HT2A      VAL   1  -5.098 -14.768  -9.634
    2   2H    ACE   0          HT2       VAL   1  -5.906 -16.334  -9.880
    3   3H    ACE   0          HT2G      VAL   1  -5.776 -15.179 -11.224
    4    H    VAL   1          HN        VAL   1  -7.155 -15.750  -8.052
    5    HA   VAL   1          HA        VAL   1  -9.315 -13.739  -8.546
    6    HB   VAL   1          H         VAL   1  -9.444 -16.326  -6.946
    7   1HG1  VAL   1          HG13      VAL   1 -11.613 -14.231  -7.466
    8   2HG1  VAL   1          HG12      VAL   1 -11.880 -15.805  -6.712
    9   3HG1  VAL   1          HG11      VAL   1 -10.891 -14.600  -5.903
   10   1HG2  VAL   1          HG23      VAL   1 -10.755 -15.569  -9.599
   11   2HG2  VAL   1          HG21      VAL   1  -9.486 -16.761  -9.389
   12   3HG2  VAL   1          HG22      VAL   1 -11.072 -17.043  -8.698
   13    HA   PRO   2          HA        PRO   2  -6.741 -12.009  -5.219
   14   1HB   PRO   2          HB2       PRO   2  -8.686  -9.803  -5.705
   15   2HB   PRO   2          HB1       PRO   2  -6.942  -9.672  -5.435
   16   1HG   PRO   2          HG2       PRO   2  -7.960  -9.441  -7.922
   17   2HG   PRO   2          HG1       PRO   2  -6.501 -10.399  -7.676
   18   1HD   PRO   2          HD2       PRO   2  -9.290 -11.430  -8.090
   19   2HD   PRO   2          HD1       PRO   2  -7.728 -12.069  -8.658
   20    HA   PRO   3          HA        PRO   3  -8.834 -12.868  -1.384
   21   1HB   PRO   3          HB2       PRO   3  -7.778 -10.110  -0.722
   22   2HB   PRO   3          HB1       PRO   3  -7.678 -11.559   0.298
   23   1HG   PRO   3          HG2       PRO   3  -5.528 -10.786  -1.113
   24   2HG   PRO   3          HG1       PRO   3  -5.953 -12.498  -1.069
   25   1HD   PRO   3          HD2       PRO   3  -6.307 -10.628  -3.379
   26   2HD   PRO   3          HD1       PRO   3  -6.103 -12.380  -3.319
   27    HA   PRO   4          HA        PRO   4 -12.508 -10.204  -0.758
   28   1HB   PRO   4          HB2       PRO   4 -13.342 -11.208   1.689
   29   2HB   PRO   4          HB1       PRO   4 -13.380 -12.243   0.265
   30   1HG   PRO   4          HG2       PRO   4 -11.261 -12.193   2.405
   31   2HG   PRO   4          HG1       PRO   4 -12.013 -13.612   1.666
   32   1HD   PRO   4          HD2       PRO   4  -9.544 -12.640   0.828
   33   2HD   PRO   4          HD1       PRO   4 -10.669 -13.481  -0.254
   34    H    VAL   5          HN        VAL   5 -12.479  -8.303  -0.322
   35    HA   VAL   5          HA        VAL   5 -10.347  -7.079   1.066
   36    HB   VAL   5          H         VAL   5 -12.775  -5.733   0.361
   37   1HG1  VAL   5          HG13      VAL   5  -9.766  -5.038   0.320
   38   2HG1  VAL   5          HG12      VAL   5 -10.968  -3.929  -0.343
   39   3HG1  VAL   5          HG11      VAL   5 -11.001  -4.307   1.368
   40   1HG2  VAL   5          HG23      VAL   5 -12.207  -7.102  -1.650
   41   2HG2  VAL   5          HG21      VAL   5 -12.085  -5.377  -1.919
   42   3HG2  VAL   5          HG22      VAL   5 -10.610  -6.274  -1.589
   43    HA   PRO   6          HA        PRO   6 -12.020  -7.013   5.235
   44   1HB   PRO   6          HB2       PRO   6 -10.547  -4.432   5.628
   45   2HB   PRO   6          HB1       PRO   6 -10.393  -5.904   6.513
   46   1HG   PRO   6          HG2       PRO   6  -8.470  -5.116   4.740
   47   2HG   PRO   6          HG1       PRO   6  -8.850  -6.810   5.040
   48   1HD   PRO   6          HD2       PRO   6  -9.616  -5.229   2.603
   49   2HD   PRO   6          HD1       PRO   6  -9.238  -6.872   2.766
   50    HA   PRO   7          HA        PRO   7 -15.247  -3.864   5.244
   51   1HB   PRO   7          HB2       PRO   7 -16.039  -3.954   7.903
   52   2HB   PRO   7          HB1       PRO   7 -16.342  -5.286   6.793
   53   1HG   PRO   7          HG2       PRO   7 -14.104  -5.082   8.800
   54   2HG   PRO   7          HG1       PRO   7 -15.129  -6.484   8.467
   55   1HD   PRO   7          HD2       PRO   7 -12.605  -6.248   7.356
   56   2HD   PRO   7          HD1       PRO   7 -13.935  -7.051   6.513
   57    H    ARG   8          HN        ARG   8 -14.591  -1.835   4.956
   58    HA   ARG   8          HA        ARG   8 -12.584  -0.695   6.770
   59   1HB   ARG   8          HB2       ARG   8 -11.839   0.602   5.058
   60   2HB   ARG   8          HB1       ARG   8 -12.472  -0.800   4.282
   61   1HG   ARG   8          HG2       ARG   8 -13.316   0.633   2.857
   62   2HG   ARG   8          HG1       ARG   8 -14.657   0.794   3.983
   63   1HD   ARG   8          HD2       ARG   8 -13.326   2.847   4.978
   64   2HD   ARG   8          HD1       ARG   8 -12.194   2.602   3.672
   65    HE   ARG   8          HE        ARG   8 -13.641   3.528   2.202
   66   1HH1  ARG   8          HH21      ARG   8 -15.363   2.775   5.183
   67   2HH1  ARG   8          HH22      ARG   8 -16.757   3.731   4.780
   68   1HH2  ARG   8          HH11      ARG   8 -15.467   4.791   1.709
   69   2HH2  ARG   8          HH12      ARG   8 -16.814   4.880   2.795
   70    H    ARG   9          HN        ARG   9 -14.141  -0.825   8.393
   71    HA   ARG   9          HA        ARG   9 -15.013   1.838   9.127
   72   1HB   ARG   9          HB2       ARG   9 -17.118  -0.373   8.774
   73   2HB   ARG   9          HB1       ARG   9 -17.335   0.962   9.865
   74   1HG   ARG   9          HG2       ARG   9 -16.947   2.534   7.841
   75   2HG   ARG   9          HG1       ARG   9 -17.107   1.114   6.835
   76   1HD   ARG   9          HD2       ARG   9 -19.313   2.181   6.981
   77   2HD   ARG   9          HD1       ARG   9 -19.379   0.690   7.946
   78    HE   ARG   9          HE        ARG   9 -18.561   2.996   9.476
   79   1HH1  ARG   9          HH21      ARG   9 -21.338   1.258   8.195
   80   2HH1  ARG   9          HH22      ARG   9 -22.410   1.784   9.455
   81   1HH2  ARG   9          HH11      ARG   9 -19.957   3.669  11.100
   82   2HH2  ARG   9          HH12      ARG   9 -21.617   3.177  11.113
   83    H    ARG  10          HN        ARG  10 -13.916   1.931  10.884
   84    HA   ARG  10          HA        ARG  10 -13.540  -0.392  12.626
   85   1HB   ARG  10          HB2       ARG  10 -12.638   2.519  12.916
   86   2HB   ARG  10          HB1       ARG  10 -12.142   1.228  13.973
   87   1HG   ARG  10          HG2       ARG  10 -11.522   1.473  10.993
   88   2HG   ARG  10          HG1       ARG  10 -10.416   1.705  12.309
   89   1HD   ARG  10          HD2       ARG  10 -11.684  -0.946  11.441
   90   2HD   ARG  10          HD1       ARG  10  -9.972  -0.555  11.392
   91    HE   ARG  10          HE        ARG  10 -11.505  -1.524  13.623
   92   1HH1  ARG  10          HH21      ARG  10  -8.789   0.517  12.745
   93   2HH1  ARG  10          HH22      ARG  10  -7.983   0.362  14.273
   94   1HH2  ARG  10          HH11      ARG  10 -10.430  -1.726  15.638
   95   2HH2  ARG  10          HH12      ARG  10  -8.918  -0.927  15.910
   96   1HN   NH2  11          HCT1      ARG  10 -14.843   2.388  12.853
   97   2HN   NH2  11          HCT2      ARG  10 -15.940   2.936  13.064
   
  No H/Q in entry =         550