*HEADER   ZN-BINDING PROTEIN                      11-JUN-98   1WJE    
*TITLE    SOLUTION STRUCTURE OF H12C MUTANT OF THE N-TERMINAL ZN      
*TITLE   2 BINDING DOMAIN OF HIV-1 INTEGRASE COMPLEXED TO CADMIUM,    
*TITLE   3 NMR, MINIMIZED AVERAGE STRUCTURE                           
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: HIV-1 INTEGRASE;                                 
*COMPND  3 CHAIN: A, B;                                               
*COMPND  4 ENGINEERED: YES;                                           
*COMPND  5 MUTATION: H12C                                             
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1;  
*SOURCE  3 ORGANISM_COMMON: HIV-1;                                    
*SOURCE  4 EXPRESSION_SYSTEM: ESCHERICHIA COLI                        
*SOURCE  5 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);                      
*SOURCE  6 EXPRESSION_SYSTEM_PLASMID: PET-15B;                        
*SOURCE  7 EXPRESSION_SYSTEM_VECTOR: T7 RNA POLYMERASE                
*KEYWDS   ZN-BINDING PROTEIN, AIDS, POLYPROTEIN, HYDROLASE, ASPARTYL  
*KEYWDS  2 PROTEASE                                                   
*EXPDTA   NMR, REGULARIZED MEAN STRUCTURE                             
*AUTHOR   M.CAI,A.M.GRONENBORN,G.M.CLORE                              
*REVDAT  1   16-DEC-98 1WJE    0                                      
 
EXPERIMENTAL RESTRAINTS FOR 1WJE AND 1WJF

HEADER    ZN-BINDING PROTEIN   
TITLE     SOLUTION STRUCTURE OF H12C MUTANT OF THE N-TERMINAL ZN BINDING DOMAIN
TITLE    2 OF HIV-1 INTEGRASE COMPLEXED TO CADMIUM , NMR, MINIMIZED AVERAGE STRUCTURE                          
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: HIV-1 INTEGRASE H12C MUTANT;                                           
COMPND   3 CHAIN: NULL                                                          
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS;                   
SOURCE   3 EXPRESSION_SYSTEM: ESCHERICHIA COLI 1IHV                             
KEYWDS    ZN-BINDING PROTEIN, AIDS, POLYPROTEIN                                
EXPDTA    NMR, REGULARIZED MEAN STRUCTURE                                       
AUTHOR    M. CAI, A.M.GRONENBORN, G.M. CLORE                           
JRNL        AUTH   M. CAI, Y. HUANG, M. CAFFREY, R. ZHENG, R. CRAIGIE,
JRNL        AUTH 2 G.M. CLORE AND A.M. GRONENBORN
JRNL        TITL   SOLUTION STRUCTURE OF THE HIS12->CYS MUTANT OF THE
JRNL        TITL 2 N-TERMINAL ZINC BINDING DOMAIN OF HIV-1 INTEGRASE                 
JRNL        TITL 3 COMPLEXED TO CADMIUM
JRNL        NATURE STRUCTURAL BIOLOGY SUBMITTED
REMARK   1 REFERENCES
REMARK   1 M. CAI, R. ZHENG, M. CAFFREY, R. CRAIGIE, G.M. CLORE, A.M. GRONENBORN
REMARK   1 (1997) SOLUTION STRUCTURE OF THE N-TRERMINAL ZINC BINDING DOMAIN OF HIV-1
REMARK   1 INTEGRASE. NATURE STRUCT. BIOL. 4, 567-577.                                                                     
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CNS
REMARK   3   AUTHORS     : BRUNGER, ADAMS, CLORE, DELANO, GROS, GROSSE-KUNSTLEVE,
REMARK   3                 JIANG, KUSZEWSKI, NILGES, PANNU, READ, RICE, SIMONSON, WARREN                                              
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS:                                           
REMARK   3  THE STRUCTURES WERE CALCULATED USING THE SIMULATED                  
REMARK   3  ANNEALING PROTOCOL OF NILGES ET AL.  (1988) FEBS LETT.              
REMARK   3  229, 129 - 136 USING THE PROGRAM XPLOR 3.1 (BRUNGER)                
REMARK   3  MODIFIED TO INCORPORATE COUPLING CONSTANT (GARRETT ET AL.           
REMARK   3  (1984) J.  MAGN RESON.  SERIES B 104, 99 - 103), CARBON             
REMARK   3  CHEMICAL SHIFT (KUSZEWSKI ET AL.  (1995) J.  MAGN.  RESON.          
REMARK   3  SERIES B 106, 92 - 96) RESTRAINTS AND A CONFORMATIONAL DATABASE
REMARK   3  POTENTIAL (KUSZWESKI ET AL. (1996) PROTEIN SCI 5, 1067 - 1080
REMARK   3  AND (1997) J. MAGN. RESON. 125, 171-177)
REMARK   3                                                                      
REMARK   3  THE 3D STRUCTURE OF THE N-TERMINAL DOMAIN OF THE H12C MUTANT OF HIV-1 
REMARK   3  INTEGRASE COMPLEXED TO CADMIUM WAS SOLVED BY
REMARK   3  MULTI-DIMENSIONAL HETERONUCLEAR-EDITED AND -FILTERED NMR            
REMARK   3  IS BASED ON 757 EXPERIMENTAL RESTRAINTS (PER MONOMER):           
REMARK   3  (A) INTRASUBUNIT:  203 SEQUENTIAL (|I-J|=1), 161 MEDIUM             
REMARK   3  RANGE (1 < |I-J| >=5) AND 82 LONG RANGE (|I-J| >5)                 
REMARK   3  INTERRESIDUE, AND 5 INTRARESIDUE APPROXIMATE INTERPROTON              
REMARK   3  DISTANCE RESTRAINTS; 16 DISTANCE RESTRAINTS FOR 8                  
REMARK   3  HYDROGEN BONDS; 117 TORSION ANGLE (45 PHI, 35 PSI, 26 CHI1,          
REMARK   3  10 CHI2 AND 1 CHI3) RESTRAINTS; 47 THREE-BOND HN-HA COUPLING               
REMARK   3  CONSTANT RESTRAINTS; 99 (50 CALPHA AND 49 CBETA) 13C              
REMARK   3  SHIFT RESTRAINTS. 
REMARK   3  (B) 20 INTERSUBUNIT INTERPROTON DISTANCE RESTRAINTS.           
REMARK   3  (C) 7 AMBIGUOUS INTERPROTON DISTANCE RESTRAINTS THAT CAN ARISE 
REMARK   3  FROM INTRA AND/OR INTERSUBUNIT INTERACTIONS.                                   
REMARK   4                                                                      
REMARK   6                                                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 35C                               
REMARK 210  PH                             : 4.5
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : NULL                               
REMARK 210  SPECTROMETER FIELD STRENGTH    : 500 and 600 MHZ                               
REMARK 210  SPECTROMETER MODEL             : DMX600, DMX500
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                               
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : CNS MODIFIED
REMARK 210   METHOD USED                   : SIMULATED ANNEALING                               
REMARK 210                                                                      



A. NOE RESTRAINTS
!Intramolecular NOEs
assign (resid 1 and name HA and segid A)(resid 2 and name HN and segid A) 4.0 2.2 1.0
assign (resid 1 and name HB# and segid A)(resid 2 and name HN and segid A) 3.0 1.2 0.5
assign (resid 2 and name HN and segid A)(resid 3 and name HN and segid A) 4.0 2.2 1.0
assign (resid 2 and name HB# and segid A)(resid 3 and name HN and segid A) 3.0 1.2 0.5
assign (resid 2 and name HD* and segid A)(resid 3 and name HN and segid A) 4.0 2.2 1.5
assign (resid 2 and name HA and segid A)(resid 3 and name HN and segid A) 3.0 1.2 0.5
assign (resid 3 and name HN and segid A)(resid 4 and name HN and segid A) 3.0 1.2 0.5
assign (resid 3 and name HB# and segid A)(resid 4 and name HN and segid A) 2.5 0.7 0.4
assign (resid 3 and name HA and segid A)(resid 4 and name HN and segid A) 3.0 1.2 0.5
assign (resid 4 and name HN and segid A)(resid 5 and name HN and segid A) 2.5 0.7 0.4
assign (resid 4 and name HN and segid A)(resid 5 and name HG2# and segid A) 4.0 2.2 2.5
assign (resid 4 and name HN and segid A)(resid 5 and name HG1# and segid A) 4.0 2.2 2.5
assign (resid 4 and name HN and segid A)(resid 5 and name HB and segid A) 4.0 2.2 2.0
assign (resid 4 and name HA1 and segid A)(resid 5 and name HN and segid A) 3.0 1.2 0.5
assign (resid 4 and name HA2 and segid A)(resid 5 and name HN and segid A) 3.0 1.2 0.5
assign (resid 5 and name HN and segid A)(resid 6 and name HN and segid A) 2.5 0.7 0.4
assign (resid 5 and name HB and segid A)(resid 6 and name HN and segid A) 2.5 0.7 0.4
assign (resid 5 and name HG1# and segid A)(resid 6 and name HN and segid A) 4.0 2.2 1.5
assign (resid 5 and name HG2# and segid A)(resid 6 and name HN and segid A) 3.0 1.2 1.0
assign (resid 5 and name HA and segid A)(resid 6 and name HN and segid A) 3.0 1.2 0.5
assign (resid 6 and name HB# and segid A)(resid 7 and name HN and segid A) 2.5 0.7 0.4
assign (resid 6 and name HN and segid A)(resid 7 and name HN and segid A) 2.5 0.7 0.4
assign (resid 6 and name HA and segid A)(resid 7 and name HN and segid A) 3.0 1.2 0.5
assign (resid 7 and name HG# and segid A)(resid 8 and name HN and segid A) 4.0 2.2 1.0
assign (resid 7 and name HA and segid A)(resid 8 and name HN and segid A) 4.0 2.2 1.0
assign (resid 7 and name HN and segid A)(resid 8 and name HN and segid A) 3.0 1.2 0.5
assign (resid 7 and name HB# and segid A)(resid 8 and name HN and segid A) 2.5 0.7 0.4
assign (resid 7 and name HN and segid A)(resid 8 and name HB# and segid A) 4.0 2.2 1.5
assign (resid 7 and name HN and segid A)(resid 8 and name HA and segid A) 4.0 2.2 2.0
assign (resid 8 and name HN and segid A)(resid 9 and name HN and segid A) 2.5 0.7 0.4
assign (resid 8 and name HB# and segid A)(resid 9 and name HN and segid A) 2.5 0.7 0.9
assign (resid 8 and name HA and segid A)(resid 9 and name HN and segid A) 4.0 2.2 1.0
assign (resid 9 and name HA and segid A)(resid 10 and name HN and segid A) 4.0 2.2 1.0
assign (resid 10 and name HA and segid A)(resid 11 and name HN and segid A) 3.0 1.2 0.5
assign (resid 11 and name HN and segid A)(resid 12 and name HN and segid A) 2.5 0.7 0.4
assign (resid 11 and name HA and segid A)(resid 12 and name HN and segid A) 3.0 1.2 0.5
assign (resid 11 and name HN and segid A)(resid 12 and name HA and segid A) 4.0 2.2 2.0
assign (resid 11 and name HG# and segid A)(resid 12 and name HN and segid A) 4.0 2.2 2.0
assign (resid 11 and name HB# and segid A)(resid 12 and name HN and segid A) 4.0 2.2 2.0
assign (resid 12 and name HN and segid A)(resid 13 and name HN and segid A) 3.0 1.2 0.5
assign (resid 12 and name HA and segid A)(resid 13 and name HN and segid A) 4.0 2.2 1.0
assign (resid 12 and name HB# and segid A)(resid 13 and name HN and segid A) 4.0 2.2 2.0
assign (resid 13 and name HN and segid A)(resid 14 and name HN and segid A) 2.5 0.7 0.4
assign (resid 13 and name HB# and segid A)(resid 14 and name HN and segid A) 2.5 0.7 0.4
assign (resid 14 and name HN and segid A)(resid 15 and name HD# and segid A) 4.0 2.2 1.0
assign (resid 14 and name HN and segid A)(resid 15 and name HE# and segid A) 4.0 2.2 2.0
assign (resid 14 and name HN and segid A)(resid 15 and name HN and segid A) 2.5 0.7 0.4
assign (resid 14 and name HA and segid A)(resid 15 and name HN and segid A) 4.0 2.2 1.0
assign (resid 14 and name HB# and segid A)(resid 15 and name HN and segid A) 3.0 1.2 0.5
assign (resid 14 and name HN and segid A)(resid 15 and name HN and segid A) 2.5 0.7 0.4
assign (resid 15 and name HB1 and segid A)(resid 16 and name HN and segid A) 4.0 2.2 1.0
assign (resid 15 and name HB2 and segid A)(resid 16 and name HN and segid A) 4.0 2.2 1.0
assign (resid 15 and name HA and segid A)(resid 16 and name HN and segid A) 4.0 2.2 1.0
assign (resid 15 and name HN and segid A)(resid 16 and name HN and segid A) 2.5 1.2 0.4
assign (resid 16 and name HN and segid A)(resid 17 and name HN and segid A) 4.0 2.2 1.0
assign (resid 16 and name HA and segid A)(resid 17 and name HN and segid A) 3.0 1.2 0.5
assign (resid 16 and name HB# and segid A)(resid 17 and name HN and segid A) 2.5 0.7 0.4
assign (resid 17 and name HB# and segid A)(resid 18 and name HN and segid A) 3.0 1.2 0.5
assign (resid 17 and name HN and segid A)(resid 18 and name HN and segid A) 3.0 1.2 0.5
assign (resid 17 and name HA and segid A)(resid 18 and name HN and segid A) 3.0 1.2 0.5
assign (resid 18 and name HA and segid A)(resid 19 and name HN and segid A) 4.0 2.2 1.0
assign (resid 18 and name HN and segid A)(resid 19 and name HN and segid A) 4.0 2.2 1.0
assign (resid 18 and name HB1 and segid A)(resid 19 and name HN and segid A) 4.0 2.2 1.0
assign (resid 18 and name HB2 and segid A)(resid 19 and name HN and segid A) 4.0 2.2 1.0
assign (resid 19 and name HD1 and segid A)(resid 20 and name HN and segid A) 4.0 2.2 2.0
assign (resid 19 and name HZ3 and segid A)(resid 20 and name HN and segid A) 4.0 2.2 2.0
assign (resid 19 and name HN and segid A)(resid 20 and name HN and segid A) 2.5 0.7 0.4
assign (resid 19 and name HN and segid A)(resid 20 and name HG# and segid A) 4.0 2.2 2.0
assign (resid 19 and name HB1 and segid A)(resid 20 and name HN and segid A) 4.0 2.2 2.0
assign (resid 19 and name HB2 and segid A)(resid 20 and name HN and segid A) 4.0 2.2 2.0
assign (resid 19 and name HA and segid A)(resid 20 and name HN and segid A) 3.0 1.2 0.5
assign (resid 20 and name HN and segid A)(resid 21 and name HN and segid A) 2.5 0.7 0.4
assign (resid 20 and name HN and segid A)(resid 21 and name HB# and segid A) 4.0 2.2 2.0
assign (resid 20 and name HB1 and segid A)(resid 21 and name HN and segid A) 3.0 1.2 0.5
assign (resid 20 and name HB2 and segid A)(resid 21 and name HN and segid A) 3.0 1.2 0.5
assign (resid 20 and name HG1 and segid A)(resid 21 and name HN and segid A) 4.0 2.2 2.0
assign (resid 20 and name HG2 and segid A)(resid 21 and name HN and segid A) 4.0 2.2 2.0
assign (resid 20 and name HA and segid A)(resid 21 and name HN and segid A) 4.0 2.2 1.0
assign (resid 21 and name HN and segid A)(resid 22 and name HN and segid A) 2.5 0.7 0.4
assign (resid 21 and name HB# and segid A)(resid 22 and name HN and segid A) 2.5 0.7 0.9
assign (resid 21 and name HA and segid A)(resid 22 and name HN and segid A) 4.0 2.2 1.0
assign (resid 22 and name HG# and segid A)(resid 23 and name HN and segid A) 4.0 2.2 1.0
assign (resid 22 and name HB# and segid A)(resid 23 and name HN and segid A) 2.5 0.7 0.4
assign (resid 22 and name HN and segid A)(resid 23 and name HN and segid A) 2.5 0.7 0.4
assign (resid 22 and name HA and segid A)(resid 23 and name HN and segid A) 4.0 2.2 1.0
assign (resid 23 and name HN and segid A)(resid 24 and name HN and segid A) 2.5 0.7 0.4
assign (resid 23 and name HA and segid A)(resid 24 and name HN and segid A) 4.0 2.2 1.0
assign (resid 23 and name HB# and segid A)(resid 24 and name HN and segid A) 2.5 0.7 0.9
assign (resid 24 and name HA and segid A)(resid 25 and name HN and segid A) 3.0 1.2 0.5
assign (resid 24 and name HB# and segid A)(resid 25 and name HN and segid A) 2.5 0.7 0.4
assign (resid 24 and name HN and segid A)(resid 25 and name HN and segid A) 2.5 0.7 0.4
assign (resid 25 and name HN and segid A)(resid 26 and name HN and segid A) 3.0 1.2 0.5
assign (resid 25 and name HB1 and segid A)(resid 26 and name HN and segid A) 3.0 1.2 0.5
assign (resid 25 and name HB2 and segid A)(resid 26 and name HN and segid A) 3.0 1.2 0.5
assign (resid 25 and name HA and segid A)(resid 26 and name HN and segid A) 3.0 1.2 0.5
assign (resid 26 and name HN and segid A)(resid 27 and name HN and segid A) 2.5 0.7 0.4
assign (resid 26 and name HA and segid A)(resid 27 and name HN and segid A) 3.0 1.2 0.5
assign (resid 26 and name HB1 and segid A)(resid 27 and name HN and segid A) 4.0 2.2 1.0
assign (resid 26 and name HB2 and segid A)(resid 27 and name HN and segid A) 4.0 2.2 1.0
assign (resid 26 and name HN and segid A)(resid 27 and name HA and segid A) 4.0 2.2 1.0
assign (resid 27 and name HN and segid A)(resid 28 and name HN and segid A) 2.5 0.7 0.4
assign (resid 27 and name HB# and segid A)(resid 28 and name HN and segid A) 4.0 2.2 1.0
assign (resid 27 and name HA and segid A)(resid 28 and name HN and segid A) 2.5 0.5 0.4
assign (resid 27 and name HN and segid A)(resid 28 and name HB# and segid A) 4.0 2.2 2.0
assign (resid 27 and name HN and segid A)(resid 28 and name HG# and segid A) 4.0 2.2 2.0
assign (resid 27 and name HN and segid A)(resid 28 and name HD# and segid A) 4.0 2.2 2.5
assign (resid 28 and name HA and segid A)(resid 29 and name HD1 and segid A) 3.0 1.2 0.3
assign (resid 28 and name HA and segid A)(resid 29 and name HD2 and segid A) 3.0 1.2 0.3
assign (resid 29 and name HA and segid A)(resid 30 and name HD1 and segid A) 3.0 1.2 0.3
assign (resid 29 and name HA and segid A)(resid 30 and name HD2 and segid A) 3.0 1.2 0.3
assign (resid 30 and name HA and segid A)(resid 31 and name HN and segid A) 3.0 1.2 0.5
assign (resid 30 and name HG# and segid A)(resid 31 and name HN and segid A) 4.0 2.2 1.0
assign (resid 30 and name HD# and segid A)(resid 31 and name HN and segid A) 4.0 2.2 2.0
assign (resid 30 and name HA and segid A)(resid 31 and name HN and segid A) 3.0 1.2 0.5
assign (resid 30 and name HB# and segid A)(resid 31 and name HN and segid A) 3.0 1.2 0.5
assign (resid 30 and name HA and segid A)(resid 31 and name HN and segid A) 4.0 2.2 2.0
assign (resid 31 and name HN and segid A)(resid 32 and name HN and segid A) 2.5 0.7 0.4
assign (resid 31 and name HA and segid A)(resid 32 and name HN and segid A) 4.0 2.2 1.0
assign (resid 32 and name HB and segid A)(resid 33 and name HN and segid A) 2.5 0.7 0.4
assign (resid 32 and name HN and segid A)(resid 33 and name HN and segid A) 2.5 0.7 0.4
assign (resid 32 and name HN and segid A)(resid 33 and name HA and segid A) 4.0 2.2 2.0
assign (resid 32 and name HA and segid A)(resid 33 and name HN and segid A) 4.0 2.2 1.0
assign (resid 33 and name HN and segid A)(resid 34 and name HN and segid A) 2.5 0.7 0.4
assign (resid 33 and name HB# and segid A)(resid 34 and name HN and segid A) 2.5 0.7 0.9
assign (resid 33 and name HA and segid A)(resid 34 and name HN and segid A) 3.0 1.2 0.5
assign (resid 34 and name HA and segid A)(resid 35 and name HN and segid A) 4.0 2.2 1.0
assign (resid 34 and name HN and segid A)(resid 35 and name HN and segid A) 2.5 0.7 0.4
assign (resid 34 and name HB1 and segid A)(resid 35 and name HN and segid A) 3.0 1.2 0.5
assign (resid 34 and name HB2 and segid A)(resid 35 and name HN and segid A) 3.0 1.2 0.5
assign (resid 35 and name HA and segid A)(resid 36 and name HN and segid A) 4.0 2.2 1.0
assign (resid 35 and name HB# and segid A)(resid 36 and name HN and segid A) 3.0 1.2 0.5
assign (resid 35 and name HN and segid A)(resid 36 and name HN and segid A) 2.5 0.7 0.4
assign (resid 36 and name HN and segid A)(resid 37 and name HN and segid A) 2.5 0.7 0.5
assign (resid 36 and name HG2# and segid A)(resid 37 and name HN and segid A) 3.0 1.2 1.0
assign (resid 36 and name HB and segid A)(resid 37 and name HN and segid A) 2.5 0.7 0.4
assign (resid 37 and name HN and segid A)(resid 38 and name HN and segid A) 2.5 0.7 0.4
assign (resid 37 and name HB and segid A)(resid 38 and name HN and segid A) 2.5 0.7 0.4
assign (resid 37 and name HG# and segid A)(resid 38 and name HN and segid A) 3.0 1.2 1.0
assign (resid 37 and name HA and segid A)(resid 38 and name HN and segid A) 3.0 1.2 0.5
assign (resid 37 and name HN and segid A)(resid 38 and name HB# and segid A) 4.0 4.2 2.5
assign (resid 38 and name HN and segid A)(resid 39 and name HN and segid A) 2.5 0.7 0.4
assign (resid 38 and name HB# and segid A)(resid 39 and name HN and segid A) 2.5 0.7 0.9
assign (resid 39 and name HB# and segid A)(resid 40 and name HN and segid A) 3.0 1.2 0.5
assign (resid 39 and name HA and segid A)(resid 40 and name HN and segid A) 3.0 1.2 0.5
assign (resid 39 and name HN and segid A)(resid 40 and name HN and segid A) 2.5 0.7 0.4
assign (resid 40 and name HA and segid A)(resid 41 and name HN and segid A) 2.5 0.7 0.4
assign (resid 40 and name HN and segid A)(resid 41 and name HN and segid A) 4.0 2.2 1.0
assign (resid 41 and name HN and segid A)(resid 42 and name HN and segid A) 2.5 0.7 0.4
assign (resid 41 and name HB# and segid A)(resid 42 and name HN and segid A) 3.0 1.2 0.5
assign (resid 41 and name HA and segid A)(resid 42 and name HN and segid A) 3.0 1.2 0.5
assign (resid 42 and name HB# and segid A)(resid 43 and name HN and segid A) 4.0 2.2 1.0
assign (resid 42 and name HG# and segid A)(resid 43 and name HN and segid A) 4.0 2.2 1.0
assign (resid 43 and name HA and segid A)(resid 44 and name HN and segid A) 3.0 1.2 0.5
assign (resid 43 and name HB# and segid A)(resid 44 and name HN and segid A) 3.0 1.2 0.5
assign (resid 44 and name HA and segid A)(resid 45 and name HN and segid A) 3.0 1.2 0.5
assign (resid 44 and name HB1 and segid A)(resid 45 and name HN and segid A) 4.0 2.2 1.0
assign (resid 44 and name HB2 and segid A)(resid 45 and name HN and segid A) 4.0 2.2 1.0
assign (resid 44 and name HG# and segid A)(resid 45 and name HN and segid A) 4.0 2.2 2.0
assign (resid 45 and name HA and segid A)(resid 46 and name HN and segid A) 3.0 1.2 0.5
assign (resid 45 and name HB# and segid A)(resid 46 and name HN and segid A) 4.0 2.2 1.0
assign (resid 45 and name HD# and segid A)(resid 46 and name HN and segid A) 4.0 2.2 1.5
assign (resid 46 and name HA and segid A)(resid 47 and name HN and segid A) 3.0 1.2 0.5
assign (resid 47 and name HA# and segid A)(resid 48 and name HN and segid A) 3.0 1.2 0.5
assign (resid 48 and name HA and segid A)(resid 49 and name HN and segid A) 3.0 1.2 0.5
assign (resid 48 and name HB1 and segid A)(resid 49 and name HN and segid A) 4.0 2.2 1.0
assign (resid 48 and name HB2 and segid A)(resid 49 and name HN and segid A) 4.0 2.2 1.0
assign (resid 49 and name HA and segid A)(resid 50 and name HN and segid A) 3.0 1.2 0.5
assign (resid 49 and name HB# and segid A)(resid 50 and name HN and segid A) 3.0 1.2 0.9
assign (resid 50 and name HA and segid A)(resid 51 and name HN and segid A) 3.0 1.2 0.5
assign (resid 50 and name HB# and segid A)(resid 51 and name HN and segid A) 4.0 2.2 1.0
assign (resid 51 and name HB1 and segid A)(resid 52 and name HN and segid A) 4.0 2.2 2.0
assign (resid 51 and name HB2 and segid A)(resid 52 and name HN and segid A) 4.0 2.2 2.0
assign (resid 51 and name HA and segid A)(resid 52 and name HN and segid A) 3.0 1.2 0.5
assign (resid 52 and name HA# and segid A)(resid 53 and name HN and segid A) 3.0 1.2 0.5
assign (resid 53 and name HA and segid A)(resid 54 and name HN and segid A) 3.0 1.2 0.5
assign (resid 54 and name HA and segid A)(resid 55 and name HN and segid A) 3.0 1.2 0.5
assign (resid 54 and name HB and segid A)(resid 55 and name HN and segid A) 4.0 2.2 1.0
assign (resid 1 and name HA and segid B)(resid 2 and name HN and segid B) 4.0 2.2 1.0
assign (resid 1 and name HB# and segid B)(resid 2 and name HN and segid B) 3.0 1.2 0.5
assign (resid 2 and name HN and segid B)(resid 3 and name HN and segid B) 4.0 2.2 1.0
assign (resid 2 and name HB# and segid B)(resid 3 and name HN and segid B) 3.0 1.2 0.5
assign (resid 2 and name HD* and segid B)(resid 3 and name HN and segid B) 4.0 2.2 1.5
assign (resid 2 and name HA and segid B)(resid 3 and name HN and segid B) 3.0 1.2 0.5
assign (resid 3 and name HN and segid B)(resid 4 and name HN and segid B) 3.0 1.2 0.5
assign (resid 3 and name HB# and segid B)(resid 4 and name HN and segid B) 2.5 0.7 0.4
assign (resid 3 and name HA and segid B)(resid 4 and name HN and segid B) 3.0 1.2 0.5
assign (resid 4 and name HN and segid B)(resid 5 and name HN and segid B) 2.5 0.7 0.4
assign (resid 4 and name HN and segid B)(resid 5 and name HG2# and segid B) 4.0 2.2 2.5
assign (resid 4 and name HN and segid B)(resid 5 and name HG1# and segid B) 4.0 2.2 2.5
assign (resid 4 and name HN and segid B)(resid 5 and name HB and segid B) 4.0 2.2 2.0
assign (resid 4 and name HA1 and segid B)(resid 5 and name HN and segid B) 3.0 1.2 0.5
assign (resid 4 and name HA2 and segid B)(resid 5 and name HN and segid B) 3.0 1.2 0.5
assign (resid 5 and name HN and segid B)(resid 6 and name HN and segid B) 2.5 0.7 0.4
assign (resid 5 and name HB and segid B)(resid 6 and name HN and segid B) 2.5 0.7 0.4
assign (resid 5 and name HG1# and segid B)(resid 6 and name HN and segid B) 4.0 2.2 1.5
assign (resid 5 and name HG2# and segid B)(resid 6 and name HN and segid B) 3.0 1.2 1.0
assign (resid 5 and name HA and segid B)(resid 6 and name HN and segid B) 3.0 1.2 0.5
assign (resid 6 and name HB# and segid B)(resid 7 and name HN and segid B) 2.5 0.7 0.4
assign (resid 6 and name HN and segid B)(resid 7 and name HN and segid B) 2.5 0.7 0.4
assign (resid 6 and name HA and segid B)(resid 7 and name HN and segid B) 3.0 1.2 0.5
assign (resid 7 and name HG# and segid B)(resid 8 and name HN and segid B) 4.0 2.2 1.0
assign (resid 7 and name HA and segid B)(resid 8 and name HN and segid B) 4.0 2.2 1.0
assign (resid 7 and name HN and segid B)(resid 8 and name HN and segid B) 3.0 1.2 0.5
assign (resid 7 and name HB# and segid B)(resid 8 and name HN and segid B) 2.5 0.7 0.4
assign (resid 7 and name HN and segid B)(resid 8 and name HB# and segid B) 4.0 2.2 1.5
assign (resid 7 and name HN and segid B)(resid 8 and name HA and segid B) 4.0 2.2 2.0
assign (resid 8 and name HN and segid B)(resid 9 and name HN and segid B) 2.5 0.7 0.4
assign (resid 8 and name HB# and segid B)(resid 9 and name HN and segid B) 2.5 0.7 0.9
assign (resid 8 and name HA and segid B)(resid 9 and name HN and segid B) 4.0 2.2 1.0
assign (resid 9 and name HA and segid B)(resid 10 and name HN and segid B) 4.0 2.2 1.0
assign (resid 10 and name HA and segid B)(resid 11 and name HN and segid B) 3.0 1.2 0.5
assign (resid 11 and name HN and segid B)(resid 12 and name HN and segid B) 2.5 0.7 0.4
assign (resid 11 and name HA and segid B)(resid 12 and name HN and segid B) 3.0 1.2 0.5
assign (resid 11 and name HN and segid B)(resid 12 and name HA and segid B) 4.0 2.2 2.0
assign (resid 11 and name HG# and segid B)(resid 12 and name HN and segid B) 4.0 2.2 2.0
assign (resid 11 and name HB# and segid B)(resid 12 and name HN and segid B) 4.0 2.2 2.0
assign (resid 12 and name HN and segid B)(resid 13 and name HN and segid B) 3.0 1.2 0.5
assign (resid 12 and name HA and segid B)(resid 13 and name HN and segid B) 4.0 2.2 1.0
assign (resid 12 and name HB# and segid B)(resid 13 and name HN and segid B) 4.0 2.2 2.0
assign (resid 13 and name HN and segid B)(resid 14 and name HN and segid B) 2.5 0.7 0.4
assign (resid 13 and name HB# and segid B)(resid 14 and name HN and segid B) 2.5 0.7 0.4
assign (resid 14 and name HN and segid B)(resid 15 and name HD# and segid B) 4.0 2.2 1.0
assign (resid 14 and name HN and segid B)(resid 15 and name HE# and segid B) 4.0 2.2 2.0
assign (resid 14 and name HN and segid B)(resid 15 and name HN and segid B) 2.5 0.7 0.4
assign (resid 14 and name HA and segid B)(resid 15 and name HN and segid B) 4.0 2.2 1.0
assign (resid 14 and name HB# and segid B)(resid 15 and name HN and segid B) 3.0 1.2 0.5
assign (resid 14 and name HN and segid B)(resid 15 and name HN and segid B) 2.5 0.7 0.4
assign (resid 15 and name HB1 and segid B)(resid 16 and name HN and segid B) 4.0 2.2 1.0
assign (resid 15 and name HB2 and segid B)(resid 16 and name HN and segid B) 4.0 2.2 1.0
assign (resid 15 and name HA and segid B)(resid 16 and name HN and segid B) 4.0 2.2 1.0
assign (resid 15 and name HN and segid B)(resid 16 and name HN and segid B) 2.5 1.2 0.4
assign (resid 16 and name HN and segid B)(resid 17 and name HN and segid B) 4.0 2.2 1.0
assign (resid 16 and name HA and segid B)(resid 17 and name HN and segid B) 3.0 1.2 0.5
assign (resid 16 and name HB# and segid B)(resid 17 and name HN and segid B) 2.5 0.7 0.4
assign (resid 17 and name HB# and segid B)(resid 18 and name HN and segid B) 3.0 1.2 0.5
assign (resid 17 and name HN and segid B)(resid 18 and name HN and segid B) 3.0 1.2 0.5
assign (resid 17 and name HA and segid B)(resid 18 and name HN and segid B) 3.0 1.2 0.5
assign (resid 18 and name HA and segid B)(resid 19 and name HN and segid B) 4.0 2.2 1.0
assign (resid 18 and name HN and segid B)(resid 19 and name HN and segid B) 4.0 2.2 1.0
assign (resid 18 and name HB1 and segid B)(resid 19 and name HN and segid B) 4.0 2.2 1.0
assign (resid 18 and name HB2 and segid B)(resid 19 and name HN and segid B) 4.0 2.2 1.0
assign (resid 19 and name HD1 and segid B)(resid 20 and name HN and segid B) 4.0 2.2 2.0
assign (resid 19 and name HZ3 and segid B)(resid 20 and name HN and segid B) 4.0 2.2 2.0
assign (resid 19 and name HN and segid B)(resid 20 and name HN and segid B) 2.5 0.7 0.4
assign (resid 19 and name HN and segid B)(resid 20 and name HG# and segid B) 4.0 2.2 2.0
assign (resid 19 and name HB1 and segid B)(resid 20 and name HN and segid B) 4.0 2.2 2.0
assign (resid 19 and name HB2 and segid B)(resid 20 and name HN and segid B) 4.0 2.2 2.0
assign (resid 19 and name HA and segid B)(resid 20 and name HN and segid B) 3.0 1.2 0.5
assign (resid 20 and name HN and segid B)(resid 21 and name HN and segid B) 2.5 0.7 0.4
assign (resid 20 and name HN and segid B)(resid 21 and name HB# and segid B) 4.0 2.2 2.0
assign (resid 20 and name HB1 and segid B)(resid 21 and name HN and segid B) 3.0 1.2 0.5
assign (resid 20 and name HB2 and segid B)(resid 21 and name HN and segid B) 3.0 1.2 0.5
assign (resid 20 and name HG1 and segid B)(resid 21 and name HN and segid B) 4.0 2.2 2.0
assign (resid 20 and name HG2 and segid B)(resid 21 and name HN and segid B) 4.0 2.2 2.0
assign (resid 20 and name HA and segid B)(resid 21 and name HN and segid B) 4.0 2.2 1.0
assign (resid 21 and name HN and segid B)(resid 22 and name HN and segid B) 2.5 0.7 0.4
assign (resid 21 and name HB# and segid B)(resid 22 and name HN and segid B) 2.5 0.7 0.9
assign (resid 21 and name HA and segid B)(resid 22 and name HN and segid B) 4.0 2.2 1.0
assign (resid 22 and name HG# and segid B)(resid 23 and name HN and segid B) 4.0 2.2 1.0
assign (resid 22 and name HB# and segid B)(resid 23 and name HN and segid B) 2.5 0.7 0.4
assign (resid 22 and name HN and segid B)(resid 23 and name HN and segid B) 2.5 0.7 0.4
assign (resid 22 and name HA and segid B)(resid 23 and name HN and segid B) 4.0 2.2 1.0
assign (resid 23 and name HN and segid B)(resid 24 and name HN and segid B) 2.5 0.7 0.4
assign (resid 23 and name HA and segid B)(resid 24 and name HN and segid B) 4.0 2.2 1.0
assign (resid 23 and name HB# and segid B)(resid 24 and name HN and segid B) 2.5 0.7 0.9
assign (resid 24 and name HA and segid B)(resid 25 and name HN and segid B) 3.0 1.2 0.5
assign (resid 24 and name HB# and segid B)(resid 25 and name HN and segid B) 2.5 0.7 0.4
assign (resid 24 and name HN and segid B)(resid 25 and name HN and segid B) 2.5 0.7 0.4
assign (resid 25 and name HN and segid B)(resid 26 and name HN and segid B) 3.0 1.2 0.5
assign (resid 25 and name HB1 and segid B)(resid 26 and name HN and segid B) 3.0 1.2 0.5
assign (resid 25 and name HB2 and segid B)(resid 26 and name HN and segid B) 3.0 1.2 0.5
assign (resid 25 and name HA and segid B)(resid 26 and name HN and segid B) 3.0 1.2 0.5
assign (resid 26 and name HN and segid B)(resid 27 and name HN and segid B) 2.5 0.7 0.4
assign (resid 26 and name HA and segid B)(resid 27 and name HN and segid B) 3.0 1.2 0.5
assign (resid 26 and name HB1 and segid B)(resid 27 and name HN and segid B) 4.0 2.2 1.0
assign (resid 26 and name HB2 and segid B)(resid 27 and name HN and segid B) 4.0 2.2 1.0
assign (resid 26 and name HN and segid B)(resid 27 and name HA and segid B) 4.0 2.2 1.0
assign (resid 27 and name HN and segid B)(resid 28 and name HN and segid B) 2.5 0.7 0.4
assign (resid 27 and name HB# and segid B)(resid 28 and name HN and segid B) 4.0 2.2 1.0
assign (resid 27 and name HA and segid B)(resid 28 and name HN and segid B) 2.5 0.5 0.4
assign (resid 27 and name HN and segid B)(resid 28 and name HB# and segid B) 4.0 2.2 2.0
assign (resid 27 and name HN and segid B)(resid 28 and name HG# and segid B) 4.0 2.2 2.0
assign (resid 27 and name HN and segid B)(resid 28 and name HD# and segid B) 4.0 2.2 2.5
assign (resid 28 and name HA and segid B)(resid 29 and name HD1 and segid B) 3.0 1.2 0.3
assign (resid 28 and name HA and segid B)(resid 29 and name HD2 and segid B) 3.0 1.2 0.3
assign (resid 29 and name HA and segid B)(resid 30 and name HD1 and segid B) 3.0 1.2 0.3
assign (resid 29 and name HA and segid B)(resid 30 and name HD2 and segid B) 3.0 1.2 0.3
assign (resid 30 and name HA and segid B)(resid 31 and name HN and segid B) 3.0 1.2 0.5
assign (resid 30 and name HG# and segid B)(resid 31 and name HN and segid B) 4.0 2.2 1.0
assign (resid 30 and name HD# and segid B)(resid 31 and name HN and segid B) 4.0 2.2 2.0
assign (resid 30 and name HA and segid B)(resid 31 and name HN and segid B) 3.0 1.2 0.5
assign (resid 30 and name HB# and segid B)(resid 31 and name HN and segid B) 3.0 1.2 0.5
assign (resid 30 and name HA and segid B)(resid 31 and name HN and segid B) 4.0 2.2 2.0
assign (resid 31 and name HN and segid B)(resid 32 and name HN and segid B) 2.5 0.7 0.4
assign (resid 31 and name HA and segid B)(resid 32 and name HN and segid B) 4.0 2.2 1.0
assign (resid 32 and name HB and segid B)(resid 33 and name HN and segid B) 2.5 0.7 0.4
assign (resid 32 and name HN and segid B)(resid 33 and name HN and segid B) 2.5 0.7 0.4
assign (resid 32 and name HN and segid B)(resid 33 and name HA and segid B) 4.0 2.2 2.0
assign (resid 32 and name HA and segid B)(resid 33 and name HN and segid B) 4.0 2.2 1.0
assign (resid 33 and name HN and segid B)(resid 34 and name HN and segid B) 2.5 0.7 0.4
assign (resid 33 and name HB# and segid B)(resid 34 and name HN and segid B) 2.5 0.7 0.9
assign (resid 33 and name HA and segid B)(resid 34 and name HN and segid B) 3.0 1.2 0.5
assign (resid 34 and name HA and segid B)(resid 35 and name HN and segid B) 4.0 2.2 1.0
assign (resid 34 and name HN and segid B)(resid 35 and name HN and segid B) 2.5 0.7 0.4
assign (resid 34 and name HB1 and segid B)(resid 35 and name HN and segid B) 3.0 1.2 0.5
assign (resid 34 and name HB2 and segid B)(resid 35 and name HN and segid B) 3.0 1.2 0.5
assign (resid 35 and name HA and segid B)(resid 36 and name HN and segid B) 4.0 2.2 1.0
assign (resid 35 and name HB# and segid B)(resid 36 and name HN and segid B) 3.0 1.2 0.5
assign (resid 35 and name HN and segid B)(resid 36 and name HN and segid B) 2.5 0.7 0.4
assign (resid 36 and name HN and segid B)(resid 37 and name HN and segid B) 2.5 0.7 0.5
assign (resid 36 and name HG2# and segid B)(resid 37 and name HN and segid B) 3.0 1.2 1.0
assign (resid 36 and name HB and segid B)(resid 37 and name HN and segid B) 2.5 0.7 0.4
assign (resid 37 and name HN and segid B)(resid 38 and name HN and segid B) 2.5 0.7 0.4
assign (resid 37 and name HB and segid B)(resid 38 and name HN and segid B) 2.5 0.7 0.4
assign (resid 37 and name HG# and segid B)(resid 38 and name HN and segid B) 3.0 1.2 1.0
assign (resid 37 and name HA and segid B)(resid 38 and name HN and segid B) 3.0 1.2 0.5
assign (resid 37 and name HN and segid B)(resid 38 and name HB# and segid B) 4.0 4.2 2.5
assign (resid 38 and name HN and segid B)(resid 39 and name HN and segid B) 2.5 0.7 0.4
assign (resid 38 and name HB# and segid B)(resid 39 and name HN and segid B) 2.5 0.7 0.9
assign (resid 39 and name HB# and segid B)(resid 40 and name HN and segid B) 3.0 1.2 0.5
assign (resid 39 and name HA and segid B)(resid 40 and name HN and segid B) 3.0 1.2 0.5
assign (resid 39 and name HN and segid B)(resid 40 and name HN and segid B) 2.5 0.7 0.4
assign (resid 40 and name HA and segid B)(resid 41 and name HN and segid B) 2.5 0.7 0.4
assign (resid 40 and name HN and segid B)(resid 41 and name HN and segid B) 4.0 2.2 1.0
assign (resid 41 and name HN and segid B)(resid 42 and name HN and segid B) 2.5 0.7 0.4
assign (resid 41 and name HB# and segid B)(resid 42 and name HN and segid B) 3.0 1.2 0.5
assign (resid 41 and name HA and segid B)(resid 42 and name HN and segid B) 3.0 1.2 0.5
assign (resid 42 and name HB# and segid B)(resid 43 and name HN and segid B) 4.0 2.2 1.0
assign (resid 42 and name HG# and segid B)(resid 43 and name HN and segid B) 4.0 2.2 1.0
assign (resid 43 and name HA and segid B)(resid 44 and name HN and segid B) 3.0 1.2 0.5
assign (resid 43 and name HB# and segid B)(resid 44 and name HN and segid B) 3.0 1.2 0.5
assign (resid 44 and name HA and segid B)(resid 45 and name HN and segid B) 3.0 1.2 0.5
assign (resid 44 and name HB1 and segid B)(resid 45 and name HN and segid B) 4.0 2.2 1.0
assign (resid 44 and name HB2 and segid B)(resid 45 and name HN and segid B) 4.0 2.2 1.0
assign (resid 44 and name HG# and segid B)(resid 45 and name HN and segid B) 4.0 2.2 2.0
assign (resid 45 and name HA and segid B)(resid 46 and name HN and segid B) 4.0 2.2 1.0
assign (resid 45 and name HB# and segid B)(resid 46 and name HN and segid B) 3.0 1.2 0.5
assign (resid 45 and name HD# and segid B)(resid 46 and name HN and segid B) 4.0 2.2 1.5
assign (resid 46 and name HA and segid B)(resid 47 and name HN and segid B) 3.0 1.2 0.5
assign (resid 47 and name HA# and segid B)(resid 48 and name HN and segid B) 3.0 1.2 0.5
assign (resid 48 and name HA and segid B)(resid 49 and name HN and segid B) 3.0 1.2 0.5
assign (resid 48 and name HB1 and segid B)(resid 49 and name HN and segid B) 4.0 2.2 1.0
assign (resid 48 and name HB2 and segid B)(resid 49 and name HN and segid B) 4.0 2.2 1.0
assign (resid 49 and name HA and segid B)(resid 50 and name HN and segid B) 3.0 1.2 0.5
assign (resid 49 and name HB# and segid B)(resid 50 and name HN and segid B) 3.0 1.2 0.9
assign (resid 50 and name HA and segid B)(resid 51 and name HN and segid B) 3.0 1.2 0.5
assign (resid 50 and name HB# and segid B)(resid 51 and name HN and segid B) 4.0 2.2 1.0
assign (resid 51 and name HB1 and segid B)(resid 52 and name HN and segid B) 4.0 2.2 2.0
assign (resid 51 and name HB2 and segid B)(resid 52 and name HN and segid B) 4.0 2.2 2.0
assign (resid 51 and name HA and segid B)(resid 52 and name HN and segid B) 3.0 1.2 0.5
assign (resid 52 and name HA# and segid B)(resid 53 and name HN and segid B) 3.0 1.2 0.5
assign (resid 53 and name HA and segid B)(resid 54 and name HN and segid B) 3.0 1.2 0.5
assign (resid 54 and name HA and segid B)(resid 55 and name HN and segid B) 3.0 1.2 0.5
assign (resid 54 and name HB and segid B)(resid 55 and name HN and segid B) 4.0 2.2 1.0
assign (resid 6 and name HB# and segid A)(resid 7 and name HB# and segid A) 4.0 2.2 2.0
assign (resid 9 and name HA and segid A)(resid 10 and name HB# and segid A) 4.0 2.2 2.0
assign (resid 14 and name HE# and segid A)(resid 15 and name HE# and segid A) 4.0 2.2 2.0
assign (resid 14 and name HB# and segid A)(resid 15 and name HD# and segid A) 4.0 2.2 2.0
assign (resid 18 and name HA and segid A)(resid 19 and name HA and segid A) 4.0 2.2 1.0
assign (resid 19 and name HZ2 and segid A)(resid 20 and name HG# and segid A) 4.0 2.2 1.0
assign (resid 19 and name HH2 and segid A)(resid 20 and name HE# and segid A) 3.0 1.2 0.3
assign (resid 19 and name HE3 and segid A)(resid 20 and name HA and segid A) 3.0 1.2 0.3
assign (resid 19 and name HH2 and segid A)(resid 20 and name HB# and segid A) 4.0 2.2 2.0
assign (resid 19 and name HH2 and segid A)(resid 20 and name HG# and segid A) 4.0 2.2 2.0
assign (resid 19 and name HZ3 and segid A)(resid 20 and name HA and segid A) 4.0 2.2 1.0
assign (resid 20 and name HA and segid A)(resid 21 and name HB# and segid A) 4.0 2.2 2.5
assign (resid 21 and name HB# and segid A)(resid 22 and name HA and segid A) 4.0 2.2 2.5
assign (resid 23 and name HB# and segid A)(resid 24 and name HB# and segid A) 4.0 2.2 2.5
assign (resid 23 and name HB# and segid A)(resid 24 and name HA and segid A) 4.0 2.2 1.5
assign (resid 28 and name HD2# and segid A)(resid 29 and name HD# and segid A) 4.0 2.2 1.5
assign (resid 28 and name HD1# and segid A)(resid 29 and name HD# and segid A) 4.0 2.2 1.5
assign (resid 28 and name HB# and segid A)(resid 29 and name HD# and segid A) 4.0 2.2 2.0
assign (resid 28 and name HD2# and segid A)(resid 29 and name HG# and segid A) 4.0 2.2 1.5
assign (resid 36 and name HG2* and segid A)(resid 37 and name HB and segid A) 4.0 2.2 1.5
assign (resid 36 and name HG2* and segid A)(resid 37 and name HA and segid A) 4.0 2.2 1.5
assign (resid 36 and name HG2* and segid A)(resid 37 and name HG1* and segid A) 4.0 2.2 2.0
assign (resid 37 and name HG2# and segid A)(resid 38 and name HA and segid A) 4.0 2.2 1.5
assign (resid 38 and name HB# and segid A)(resid 39 and name HA and segid A) 4.0 2.2 1.5
assign (resid 41 and name HB# and segid A)(resid 42 and name HG# and segid A) 4.0 2.2 2.0
assign (resid 44 and name HA and segid A)(resid 45 and name HD# and segid A) 4.0 2.2 1.5
assign (resid 6 and name HB# and segid B)(resid 7 and name HB# and segid B) 4.0 2.2 2.0
assign (resid 9 and name HA and segid B)(resid 10 and name HB# and segid B) 4.0 2.2 2.0
assign (resid 14 and name HE# and segid B)(resid 15 and name HE# and segid B) 4.0 2.2 2.0
assign (resid 14 and name HB# and segid B)(resid 15 and name HD# and segid B) 4.0 2.2 2.0
assign (resid 18 and name HA and segid B)(resid 19 and name HA and segid B) 4.0 2.2 1.0
assign (resid 19 and name HZ2 and segid B)(resid 20 and name HG# and segid B) 4.0 2.2 1.0
assign (resid 19 and name HH2 and segid B)(resid 20 and name HE# and segid B) 3.0 1.2 0.3
assign (resid 19 and name HE3 and segid B)(resid 20 and name HA and segid B) 3.0 1.2 0.3
assign (resid 19 and name HH2 and segid B)(resid 20 and name HB# and segid B) 4.0 2.2 2.0
assign (resid 19 and name HH2 and segid B)(resid 20 and name HG# and segid B) 4.0 2.2 2.0
assign (resid 19 and name HZ3 and segid B)(resid 20 and name HA and segid B) 4.0 2.2 1.0
assign (resid 20 and name HA and segid B)(resid 21 and name HB# and segid B) 4.0 2.2 2.5
assign (resid 21 and name HB# and segid B)(resid 22 and name HA and segid B) 4.0 2.2 2.5
assign (resid 23 and name HB# and segid B)(resid 24 and name HB# and segid B) 4.0 2.2 2.5
assign (resid 23 and name HB# and segid B)(resid 24 and name HA and segid B) 4.0 2.2 1.5
assign (resid 28 and name HD2# and segid B)(resid 29 and name HD# and segid B) 4.0 2.2 1.5
assign (resid 28 and name HD1# and segid B)(resid 29 and name HD# and segid B) 4.0 2.2 1.5
assign (resid 28 and name HB# and segid B)(resid 29 and name HD# and segid B) 4.0 2.2 2.0
assign (resid 28 and name HD2# and segid B)(resid 29 and name HG# and segid B) 4.0 2.2 1.5
assign (resid 36 and name HG2* and segid B)(resid 37 and name HB and segid B) 4.0 2.2 1.5
assign (resid 36 and name HG2* and segid B)(resid 37 and name HA and segid B) 4.0 2.2 1.5
assign (resid 36 and name HG2* and segid B)(resid 37 and name HG1* and segid B) 4.0 2.2 2.0
assign (resid 37 and name HG2# and segid B)(resid 38 and name HA and segid B) 4.0 2.2 1.5
assign (resid 38 and name HB# and segid B)(resid 39 and name HA and segid B) 4.0 2.2 1.5
assign (resid 41 and name HB# and segid B)(resid 42 and name HG# and segid B) 4.0 2.2 2.0
assign (resid 44 and name HA and segid B)(resid 45 and name HD# and segid B) 4.0 2.2 1.5


assign (resid 1 and name HA and segid A)(resid 3 and name HN and segid A) 4.0 2.2 2.0
assign (resid 2 and name HA and segid A)(resid 5 and name HN and segid A) 4.0 2.2 1.0
assign (resid 3 and name HA and segid A)(resid 5 and name HN and segid A) 4.0 2.2 1.0
assign (resid 3 and name HA and segid A)(resid 6 and name HN and segid A) 4.0 2.2 1.0
assign (resid 4 and name HN and segid A)(resid 6 and name HN and segid A) 4.0 2.2 1.0
assign (resid 4 and name HA# and segid A)(resid 6 and name HN and segid A) 4.0 2.2 1.0
assign (resid 4 and name HA# and segid A)(resid 7 and name HN and segid A) 4.0 2.2 1.0
assign (resid 4 and name HA# and segid A)(resid 8 and name HN and segid A) 4.0 2.2 2.0
assign (resid 5 and name HA and segid A)(resid 7 and name HN and segid A) 4.0 2.2 6.0
assign (resid 5 and name HA and segid A)(resid 8 and name HN and segid A) 4.0 2.2 1.0
assign (resid 5 and name HG2# and segid A)(resid 9 and name HE2# and segid A) 3.0 1.2 1.0
assign (resid 6 and name HN and segid A)(resid 8 and name HN and segid A) 4.0 2.2 1.0
assign (resid 6 and name HA and segid A)(resid 9 and name HN and segid A) 3.0 1.2 0.5
assign (resid 6 and name HA and segid A)(resid 9 and name HE2# and segid A) 4.0 2.2 2.0
assign (resid 7 and name HA and segid A)(resid 10 and name HN and segid A) 4.0 2.2 1.0
assign (resid 8 and name HA and segid A)(resid 11 and name HN and segid A) 4.0 2.2 1.5
assign (resid 9 and name HA and segid A)(resid 12 and name HN and segid A) 4.0 2.2 1.0
assign (resid 10 and name HA and segid A)(resid 12 and name HN and segid A) 4.0 2.2 2.0
assign (resid 11 and name HA and segid A)(resid 13 and name HN and segid A) 4.0 2.2 2.0
assign (resid 13 and name HN and segid A)(resid 15 and name HN and segid A) 4.0 2.2 1.0
assign (resid 13 and name HA and segid A)(resid 15 and name HN and segid A) 4.0 2.2 1.0
assign (resid 13 and name HA and segid A)(resid 16 and name HN and segid A) 4.0 2.2 1.0
assign (resid 15 and name HB1 and segid A)(resid 18 and name HN and segid A) 4.0 2.2 1.0
assign (resid 15 and name HB2 and segid A)(resid 18 and name HN and segid A) 4.0 2.2 1.0
assign (resid 16 and name HB# and segid A)(resid 18 and name HN and segid A) 4.0 2.2 1.0
assign (resid 18 and name HA and segid A)(resid 20 and name HN and segid A) 3.0 1.2 0.5
assign (resid 18 and name HB1 and segid A)(resid 21 and name HN and segid A) 4.0 2.2 2.0
assign (resid 18 and name HB2 and segid A)(resid 21 and name HN and segid A) 4.0 2.2 2.0
assign (resid 18 and name HA and segid A)(resid 21 and name HN and segid A) 4.0 2.2 2.0
assign (resid 18 and name HD2# and segid A)(resid 21 and name HB# and segid A) 3.0 1.2 0.8
assign (resid 19 and name HN and segid A)(resid 21 and name HN and segid A) 4.0 2.2 1.0
assign (resid 19 and name HA and segid A)(resid 22 and name HN and segid A) 3.0 1.2 0.5
assign (resid 19 and name HA and segid A)(resid 23 and name HN and segid A) 4.0 2.2 1.0
assign (resid 19 and name HE3 and segid A)(resid 23 and name HN and segid A) 4.0 2.2 1.0
assign (resid 20 and name HN and segid A)(resid 22 and name HN and segid A) 4.0 2.2 1.0
assign (resid 20 and name HA and segid A)(resid 22 and name HN and segid A) 4.0 2.2 2.0
assign (resid 20 and name HA and segid A)(resid 23 and name HN and segid A) 3.0 1.2 0.5
assign (resid 20 and name HN and segid A)(resid 23 and name HB# and segid A) 4.0 2.2 2.5
assign (resid 21 and name HN and segid A)(resid 23 and name HN and segid A) 4.0 2.2 1.0
assign (resid 21 and name HB# and segid A)(resid 23 and name HN and segid A) 4.0 2.2 1.5
assign (resid 21 and name HA and segid A)(resid 24 and name HN and segid A) 3.0 1.2 0.5
assign (resid 21 and name HB# and segid A)(resid 25 and name HN and segid A) 4.0 2.2 1.5
assign (resid 21 and name HA and segid A)(resid 25 and name HN and segid A) 4.0 2.2 2.0
assign (resid 22 and name HN and segid A)(resid 24 and name HN and segid A) 4.0 2.2 1.0
assign (resid 22 and name HA and segid A)(resid 25 and name HN and segid A) 3.0 1.2 0.5
assign (resid 23 and name HB# and segid A)(resid 25 and name HN and segid A) 4.0 2.2 2.5
assign (resid 23 and name HA and segid A)(resid 26 and name HN and segid A) 4.0 2.2 2.0
assign (resid 23 and name HA and segid A)(resid 27 and name HN and segid A) 4.0 2.2 2.0
assign (resid 23 and name HB# and segid A)(resid 27 and name HN and segid A) 4.0 2.2 1.5
assign (resid 23 and name HN and segid A)(resid 28 and name HN and segid A) 4.0 2.2 2.0
assign (resid 23 and name HA and segid A)(resid 28 and name HN and segid A) 2.5 0.7 0.4
assign (resid 24 and name HA and segid A)(resid 26 and name HN and segid A) 4.0 2.2 2.0
assign (resid 24 and name HA and segid A)(resid 27 and name HN and segid A) 4.0 2.2 1.0
assign (resid 26 and name HN and segid A)(resid 28 and name HN and segid A) 4.0 2.2 1.0
assign (resid 26 and name HN and segid A)(resid 28 and name HD# and segid A) 4.0 2.2 2.5
assign (resid 28 and name HD2# and segid A)(resid 32 and name HN and segid A) 4.0 2.2 2.5
assign (resid 28 and name HN and segid A)(resid 33 and name HB# and segid A) 4.0 2.2 1.5
assign (resid 28 and name HB# and segid A)(resid 33 and name HN and segid A) 4.0 2.2 2.0
assign (resid 28 and name HD# and segid A)(resid 33 and name HN and segid A) 4.0 2.2 2.5
assign (resid 29 and name HB# and segid A)(resid 31 and name HN and segid A) 3.0 1.2 0.5
assign (resid 29 and name HB# and segid A)(resid 32 and name HN and segid A) 4.0 2.2 1.0
assign (resid 30 and name HA and segid A)(resid 33 and name HN and segid A) 3.0 1.2 0.5
assign (resid 30 and name HA and segid A)(resid 34 and name HN and segid A) 4.0 2.2 1.0
assign (resid 31 and name HA and segid A)(resid 33 and name HN and segid A) 4.0 2.2 1.0
assign (resid 31 and name HN and segid A)(resid 33 and name HN and segid A) 4.0 2.2 1.0
assign (resid 31 and name HA and segid A)(resid 34 and name HN and segid A) 4.0 2.2 1.0
assign (resid 31 and name HA and segid A)(resid 35 and name HN and segid A) 4.0 2.2 1.0
assign (resid 32 and name HN and segid A)(resid 34 and name HN and segid A) 4.0 2.2 1.0
assign (resid 32 and name HA and segid A)(resid 35 and name HN and segid A) 3.0 1.2 0.5
assign (resid 32 and name HG# and segid A)(resid 35 and name HN and segid A) 4.0 2.2 2.5
assign (resid 32 and name HA and segid A)(resid 36 and name HN and segid A) 4.0 2.2 1.0
assign (resid 33 and name HA and segid A)(resid 35 and name HN and segid A) 4.0 2.2 2.0
assign (resid 33 and name HN and segid A)(resid 35 and name HN and segid A) 4.0 2.2 1.0
assign (resid 33 and name HA and segid A)(resid 36 and name HN and segid A) 3.0 1.2 0.5
assign (resid 33 and name HA and segid A)(resid 37 and name HN and segid A) 4.0 2.2 1.0
assign (resid 34 and name HN and segid A)(resid 36 and name HN and segid A) 4.0 2.2 1.0
assign (resid 34 and name HA and segid A)(resid 37 and name HN and segid A) 3.0 1.2 0.5
assign (resid 34 and name HA and segid A)(resid 38 and name HN and segid A) 4.0 2.2 2.0
assign (resid 35 and name HA and segid A)(resid 37 and name HN and segid A) 4.0 2.2 1.0
assign (resid 35 and name HN and segid A)(resid 37 and name HN and segid A) 4.0 2.2 1.0
assign (resid 35 and name HA and segid A)(resid 38 and name HN and segid A) 3.0 1.2 0.5
assign (resid 35 and name HA and segid A)(resid 39 and name HN and segid A) 4.0 2.2 1.0
assign (resid 36 and name HA and segid A)(resid 38 and name HN and segid A) 4.0 2.2 1.0
assign (resid 36 and name HN and segid A)(resid 38 and name HN and segid A) 4.0 2.2 1.0
assign (resid 36 and name HG2# and segid A)(resid 38 and name HN and segid A) 4.0 2.2 2.5
assign (resid 36 and name HA and segid A)(resid 39 and name HN and segid A) 3.0 1.2 0.5
assign (resid 37 and name HB and segid A)(resid 39 and name HN and segid A) 4.0 2.2 1.0
assign (resid 37 and name HA and segid A)(resid 39 and name HN and segid A) 4.0 2.2 1.0
assign (resid 37 and name HN and segid A)(resid 39 and name HN and segid A) 4.0 2.2 1.0
assign (resid 37 and name HA and segid A)(resid 40 and name HN and segid A) 3.0 1.2 0.5
assign (resid 38 and name HB# and segid A)(resid 40 and name HN and segid A) 4.0 2.2 1.5!
assign (resid 38 and name HN and segid A)(resid 40 and name HN and segid A) 4.0 2.2 1.0
assign (resid 40 and name HA and segid A)(resid 42 and name HN and segid A) 4.0 2.2 1.0
assign (resid 40 and name HB1 and segid A)(resid 43 and name HN and segid A) 4.0 2.2 1.0
assign (resid 40 and name HB2 and segid A)(resid 43 and name HN and segid A) 4.0 2.2 1.0
assign (resid 40 and name HN and segid A)(resid 43 and name HB# and segid A) 4.0 2.2 2.0
assign (resid 45 and name HB# and segid A)(resid 47 and name HN and segid A) 4.0 2.2 2.0
assign (resid 47 and name HA# and segid A)(resid 49 and name HN and segid A) 4.0 2.2 2.0
assign (resid 1 and name HA and segid B)(resid 3 and name HN and segid B) 4.0 2.2 2.0
assign (resid 2 and name HA and segid B)(resid 5 and name HN and segid B) 4.0 2.2 1.0
assign (resid 3 and name HA and segid B)(resid 5 and name HN and segid B) 4.0 2.2 1.0
assign (resid 3 and name HA and segid B)(resid 6 and name HN and segid B) 4.0 2.2 1.0
assign (resid 4 and name HN and segid B)(resid 6 and name HN and segid B) 4.0 2.2 1.0
assign (resid 4 and name HA# and segid B)(resid 6 and name HN and segid B) 4.0 2.2 1.0
assign (resid 4 and name HA# and segid B)(resid 7 and name HN and segid B) 4.0 2.2 1.0
assign (resid 4 and name HA# and segid B)(resid 8 and name HN and segid B) 4.0 2.2 2.0
assign (resid 5 and name HA and segid B)(resid 7 and name HN and segid B) 4.0 2.2 6.0
assign (resid 5 and name HA and segid B)(resid 8 and name HN and segid B) 4.0 2.2 1.0
assign (resid 5 and name HG2# and segid B)(resid 9 and name HE2# and segid B) 3.0 1.2 1.0
assign (resid 6 and name HN and segid B)(resid 8 and name HN and segid B) 4.0 2.2 1.0
assign (resid 6 and name HA and segid B)(resid 9 and name HN and segid B) 3.0 1.2 0.5
assign (resid 6 and name HA and segid B)(resid 9 and name HE2# and segid B) 4.0 2.2 2.0
assign (resid 7 and name HA and segid B)(resid 10 and name HN and segid B) 4.0 2.2 1.0
assign (resid 8 and name HA and segid B)(resid 11 and name HN and segid B) 4.0 2.2 1.5
assign (resid 9 and name HA and segid B)(resid 12 and name HN and segid B) 4.0 2.2 1.0
assign (resid 10 and name HA and segid B)(resid 12 and name HN and segid B) 4.0 2.2 2.0
assign (resid 11 and name HA and segid B)(resid 13 and name HN and segid B) 4.0 2.2 2.0
assign (resid 13 and name HN and segid B)(resid 15 and name HN and segid B) 4.0 2.2 1.0
assign (resid 13 and name HA and segid B)(resid 15 and name HN and segid B) 4.0 2.2 1.0
assign (resid 13 and name HA and segid B)(resid 16 and name HN and segid B) 4.0 2.2 1.0
assign (resid 15 and name HB1 and segid B)(resid 18 and name HN and segid B) 4.0 2.2 1.0
assign (resid 15 and name HB2 and segid B)(resid 18 and name HN and segid B) 4.0 2.2 1.0
assign (resid 16 and name HB# and segid B)(resid 18 and name HN and segid B) 4.0 2.2 1.0
assign (resid 18 and name HA and segid B)(resid 20 and name HN and segid B) 3.0 1.2 0.5
assign (resid 18 and name HB1 and segid B)(resid 21 and name HN and segid B) 4.0 2.2 2.0
assign (resid 18 and name HB2 and segid B)(resid 21 and name HN and segid B) 4.0 2.2 2.0
assign (resid 18 and name HA and segid B)(resid 21 and name HN and segid B) 4.0 2.2 2.0
assign (resid 18 and name HD2# and segid B)(resid 21 and name HB# and segid B) 3.0 1.2 0.8
assign (resid 19 and name HN and segid B)(resid 21 and name HN and segid B) 4.0 2.2 1.0
assign (resid 19 and name HA and segid B)(resid 22 and name HN and segid B) 3.0 1.2 0.5
assign (resid 19 and name HA and segid B)(resid 23 and name HN and segid B) 4.0 2.2 1.0
assign (resid 19 and name HE3 and segid B)(resid 23 and name HN and segid B) 4.0 2.2 1.0
assign (resid 20 and name HN and segid B)(resid 22 and name HN and segid B) 4.0 2.2 1.0
assign (resid 20 and name HA and segid B)(resid 22 and name HN and segid B) 4.0 2.2 2.0
assign (resid 20 and name HA and segid B)(resid 23 and name HN and segid B) 3.0 1.2 0.5
assign (resid 20 and name HN and segid B)(resid 23 and name HB# and segid B) 4.0 2.2 2.5
assign (resid 21 and name HN and segid B)(resid 23 and name HN and segid B) 4.0 2.2 1.0
assign (resid 21 and name HB# and segid B)(resid 23 and name HN and segid B) 4.0 2.2 1.5
assign (resid 21 and name HA and segid B)(resid 24 and name HN and segid B) 3.0 1.2 0.5
assign (resid 21 and name HB# and segid B)(resid 25 and name HN and segid B) 4.0 2.2 1.5
assign (resid 21 and name HA and segid B)(resid 25 and name HN and segid B) 4.0 2.2 2.0
assign (resid 22 and name HN and segid B)(resid 24 and name HN and segid B) 4.0 2.2 1.0
assign (resid 22 and name HA and segid B)(resid 25 and name HN and segid B) 3.0 1.2 0.5
assign (resid 23 and name HB# and segid B)(resid 25 and name HN and segid B) 4.0 2.2 2.5
assign (resid 23 and name HA and segid B)(resid 26 and name HN and segid B) 4.0 2.2 2.0
assign (resid 23 and name HA and segid B)(resid 27 and name HN and segid B) 4.0 2.2 2.0
assign (resid 23 and name HB# and segid B)(resid 27 and name HN and segid B) 4.0 2.2 1.5
assign (resid 23 and name HN and segid B)(resid 28 and name HN and segid B) 4.0 2.2 2.0
assign (resid 23 and name HA and segid B)(resid 28 and name HN and segid B) 2.5 0.7 0.4
assign (resid 24 and name HA and segid B)(resid 26 and name HN and segid B) 4.0 2.2 2.0
assign (resid 24 and name HA and segid B)(resid 27 and name HN and segid B) 4.0 2.2 1.0
assign (resid 26 and name HN and segid B)(resid 28 and name HN and segid B) 4.0 2.2 1.0
assign (resid 26 and name HN and segid B)(resid 28 and name HD# and segid B) 4.0 2.2 2.5
assign (resid 28 and name HD2# and segid B)(resid 32 and name HN and segid B) 4.0 2.2 2.5
assign (resid 28 and name HN and segid B)(resid 33 and name HB# and segid B) 4.0 2.2 1.5
assign (resid 28 and name HB# and segid B)(resid 33 and name HN and segid B) 4.0 2.2 2.0
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assign (resid 29 and name HB# and segid B)(resid 31 and name HN and segid B) 3.0 1.2 0.5
assign (resid 29 and name HB# and segid B)(resid 32 and name HN and segid B) 4.0 2.2 1.0
assign (resid 30 and name HA and segid B)(resid 33 and name HN and segid B) 3.0 1.2 0.5
assign (resid 30 and name HA and segid B)(resid 34 and name HN and segid B) 4.0 2.2 1.0
assign (resid 31 and name HA and segid B)(resid 33 and name HN and segid B) 4.0 2.2 1.0
assign (resid 31 and name HN and segid B)(resid 33 and name HN and segid B) 4.0 2.2 1.0
assign (resid 31 and name HA and segid B)(resid 34 and name HN and segid B) 4.0 2.2 1.0
assign (resid 31 and name HA and segid B)(resid 35 and name HN and segid B) 4.0 2.2 1.0
assign (resid 32 and name HN and segid B)(resid 34 and name HN and segid B) 4.0 2.2 1.0
assign (resid 32 and name HA and segid B)(resid 35 and name HN and segid B) 3.0 1.2 0.5
assign (resid 32 and name HG# and segid B)(resid 35 and name HN and segid B) 4.0 2.2 2.5
assign (resid 32 and name HA and segid B)(resid 36 and name HN and segid B) 4.0 2.2 1.0
assign (resid 33 and name HA and segid B)(resid 35 and name HN and segid B) 4.0 2.2 2.0
assign (resid 33 and name HN and segid B)(resid 35 and name HN and segid B) 4.0 2.2 1.0
assign (resid 33 and name HA and segid B)(resid 36 and name HN and segid B) 3.0 1.2 0.5
assign (resid 33 and name HA and segid B)(resid 37 and name HN and segid B) 4.0 2.2 1.0
assign (resid 34 and name HN and segid B)(resid 36 and name HN and segid B) 4.0 2.2 1.0
assign (resid 34 and name HA and segid B)(resid 37 and name HN and segid B) 3.0 1.2 0.5
assign (resid 34 and name HA and segid B)(resid 38 and name HN and segid B) 4.0 2.2 2.0
assign (resid 35 and name HA and segid B)(resid 37 and name HN and segid B) 4.0 2.2 1.0
assign (resid 35 and name HN and segid B)(resid 37 and name HN and segid B) 4.0 2.2 1.0
assign (resid 35 and name HA and segid B)(resid 38 and name HN and segid B) 3.0 1.2 0.5
assign (resid 35 and name HA and segid B)(resid 39 and name HN and segid B) 4.0 2.2 1.0
assign (resid 36 and name HA and segid B)(resid 38 and name HN and segid B) 4.0 2.2 1.0
assign (resid 36 and name HN and segid B)(resid 38 and name HN and segid B) 4.0 2.2 1.0
assign (resid 36 and name HG2# and segid B)(resid 38 and name HN and segid B) 4.0 2.2 2.5
assign (resid 36 and name HA and segid B)(resid 39 and name HN and segid B) 3.0 1.2 0.5
assign (resid 37 and name HB and segid B)(resid 39 and name HN and segid B) 4.0 2.2 1.0
assign (resid 37 and name HA and segid B)(resid 39 and name HN and segid B) 4.0 2.2 1.0
assign (resid 37 and name HN and segid B)(resid 39 and name HN and segid B) 4.0 2.2 1.0
assign (resid 37 and name HA and segid B)(resid 40 and name HN and segid B) 3.0 1.2 0.5
assign (resid 38 and name HB# and segid B)(resid 40 and name HN and segid B) 4.0 2.2 1.5!
assign (resid 38 and name HN and segid B)(resid 40 and name HN and segid B) 4.0 2.2 1.0
assign (resid 40 and name HA and segid B)(resid 42 and name HN and segid B) 4.0 2.2 1.0
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assign (resid 5 and name HG2# and segid A)(resid 9 and name HG# and segid A) 3.0 1.2 0.8
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assign (resid 36 and name HA and segid A)(resid 39 and name HB# and segid A) 4.0 2.2 1.0
assign (resid 36 and name HG2# and segid A)(resid 40 and name HB# and segid A) 4.0 2.2 1.5
assign (resid 37 and name HA and segid A)(resid 40 and name HB1 and segid A) 3.0 1.2 0.3
assign (resid 37 and name HA and segid A)(resid 40 and name HB2 and segid A) 3.0 1.2 0.3
assign (resid 40 and name HB# and segid A)(resid 43 and name HB# and segid A) 3.0 1.2 0.3
assign (resid 41 and name HA and segid A)(resid 44 and name HG# and segid A) 4.0 2.2 2.0
assign (resid 42 and name HA and segid A)(resid 45 and name HG and segid A) 4.0 2.2 2.0
assign (resid 2 and name HA and segid B)(resid 5 and name HB and segid B) 4.0 2.2 1.0
assign (resid 3 and name HA and segid B)(resid 5 and name HG2# and segid B) 4.0 2.2 2.5
assign (resid 4 and name HA# and segid B)(resid 7 and name HB# and segid B) 3.0 1.2 0.3
assign (resid 5 and name HA and segid B)(resid 8 and name HB# and segid B) 3.0 1.2 0.8
assign (resid 5 and name HG2# and segid B)(resid 9 and name HG# and segid B) 3.0 1.2 0.8
assign (resid 5 and name HG2# and segid B)(resid 9 and name HG# and segid B) 4.0 2.2 1.5
assign (resid 6 and name HA and segid B)(resid 9 and name HB# and segid B) 3.0 1.2 0.3
assign (resid 7 and name HA and segid B)(resid 10 and name HB# and segid B) 3.0 1.2 0.3
assign (resid 9 and name HA and segid B)(resid 12 and name HB# and segid B) 4.0 2.2 1.0
assign (resid 15 and name HA and segid B)(resid 18 and name HB# and segid B) 4.0 2.2 2.0
assign (resid 18 and name HA and segid B)(resid 21 and name HB# and segid B) 4.0 2.2 1.5
assign (resid 18 and name HB# and segid B)(resid 21 and name HB# and segid B) 3.0 1.2 0.8
assign (resid 19 and name HA and segid B)(resid 22 and name HB# and segid B) 4.0 2.2 1.0
assign (resid 19 and name HA and segid B)(resid 22 and name HG* and segid B) 4.0 2.2 1.0
assign (resid 19 and name HD1 and segid B)(resid 22 and name HE* and segid B) 4.0 2.2 2.5
assign (resid 19 and name HH2 and segid B)(resid 23 and name HB# and segid B) 4.0 2.2 1.5
assign (resid 19 and name HE3 and segid B)(resid 23 and name HB# and segid B) 2.5 0.7 0.7
assign (resid 19 and name HZ3 and segid B)(resid 23 and name HB# and segid B) 3.0 1.2 0.8
assign (resid 20 and name HA and segid B)(resid 23 and name HB# and segid B) 2.5 0.7 0.7
assign (resid 20 and name HB# and segid B)(resid 23 and name HB# and segid B) 4.0 2.2 2.5
assign (resid 21 and name HB# and segid B)(resid 24 and name HB# and segid B) 4.0 2.2 1.5
assign (resid 21 and name HA and segid B)(resid 24 and name HB# and segid B) 3.0 1.2 0.3
assign (resid 22 and name HA and segid B)(resid 25 and name HB# and segid B) 3.0 1.2 0.3
assign (resid 22 and name HA and segid B)(resid 26 and name HD# and segid B) 3.0 1.2 0.3
assign (resid 22 and name HA and segid B)(resid 26 and name HE# and segid B) 4.0 2.2 2.0
assign (resid 22 and name HB# and segid B)(resid 26 and name HD# and segid B) 4.0 2.2 1.0
assign (resid 22 and name HG# and segid B)(resid 26 and name HD# and segid B) 4.0 2.2 1.0
assign (resid 22 and name HE# and segid B)(resid 26 and name HD# and segid B) 4.0 2.2 1.5
assign (resid 23 and name HB# and segid B)(resid 26 and name HB# and segid B) 4.0 2.2 1.5
assign (resid 23 and name HB# and segid B)(resid 27 and name HA and segid B) 4.0 2.2 2.5
assign (resid 23 and name HA and segid B)(resid 27 and name HA and segid B) 4.0 2.2 2.0
assign (resid 23 and name HB# and segid B)(resid 28 and name HA and segid B) 4.0 2.2 2.5
assign (resid 23 and name HB# and segid B)(resid 28 and name HG and segid B) 4.0 2.2 1.5
assign (resid 23 and name HA and segid B)(resid 28 and name HA and segid B) 4.0 2.2 2.0
assign (resid 23 and name HA and segid B)(resid 28 and name HD# and segid B) 3.0 1.2 0.8
assign (resid 23 and name HA and segid B)(resid 28 and name HB# and segid B) 3.0 1.2 0.3
assign (resid 24 and name HB# and segid B)(resid 27 and name HA and segid B) 4.0 2.2 2.0
assign (resid 24 and name HA and segid B)(resid 27 and name HA and segid B) 4.0 2.2 2.0
assign (resid 26 and name HB# and segid B)(resid 28 and name HD1# and segid B) 3.0 1.2 1.0
assign (resid 26 and name HB# and segid B)(resid 28 and name HD2# and segid B) 3.0 1.2 1.0
assign (resid 26 and name HB# and segid B)(resid 28 and name HG and segid B) 3.0 1.2 0.3
assign (resid 26 and name HD# and segid B)(resid 28 and name HD# and segid B) 4.0 2.2 1.5
assign (resid 29 and name HD# and segid B)(resid 32 and name HG* and segid B) 3.0 1.2 1.0
assign (resid 30 and name HA and segid B)(resid 33 and name HB# and segid B) 2.5 0.7 0.7
assign (resid 31 and name HA and segid B)(resid 34 and name HB# and segid B) 3.0 1.2 0.3
assign (resid 31 and name HA and segid B)(resid 34 and name HD# and segid B) 4.0 2.2 2.0
assign (resid 31 and name HA and segid B)(resid 34 and name HB# and segid B) 3.0 1.2 0.3
assign (resid 32 and name HA and segid B)(resid 35 and name HB# and segid B) 3.0 1.2 0.3
assign (resid 33 and name HA and segid B)(resid 36 and name HB and segid B) 3.0 1.2 0.5
assign (resid 33 and name HA and segid B)(resid 36 and name HG1# and segid B) 4.0 2.2 2.0
assign (resid 33 and name HA and segid B)(resid 36 and name HG2# and segid B) 4.0 2.2 1.5
assign (resid 33 and name HA and segid B)(resid 36 and name HD# and segid B) 2.5 0.7 0.7
assign (resid 33 and name HB* and segid B)(resid 36 and name HG2* and segid B) 4.0 2.2 3.0
assign (resid 34 and name HA and segid B)(resid 37 and name HB and segid B) 3.0 1.2 0.3
assign (resid 34 and name HA and segid B)(resid 37 and name HG2# and segid B) 3.0 1.2 0.8
assign (resid 35 and name HA and segid B)(resid 38 and name HB* and segid B) 2.5 0.7 0.7
assign (resid 36 and name HA and segid B)(resid 39 and name HB# and segid B) 4.0 2.2 1.0
assign (resid 36 and name HG2# and segid B)(resid 40 and name HB# and segid B) 4.0 2.2 1.5
assign (resid 37 and name HA and segid B)(resid 40 and name HB1 and segid B) 3.0 1.2 0.3
assign (resid 37 and name HA and segid B)(resid 40 and name HB2 and segid B) 3.0 1.2 0.3
assign (resid 40 and name HB# and segid B)(resid 43 and name HB# and segid B) 3.0 1.2 0.3
assign (resid 41 and name HA and segid B)(resid 44 and name HG# and segid B) 4.0 2.2 2.0
assign (resid 42 and name HA and segid B)(resid 45 and name HG and segid B) 4.0 2.2 2.0



assign (resid 9 and name HN and segid A)(resid 36 and name HG2# and segid A) 4.0 2.2 1.5
assign (resid 9 and name HE2# and segid A)(resid 36 and name HG2# and segid A) 4.0 2.2 1.5
assign (resid 10 and name HN and segid A)(resid 36 and name HG2# and segid A) 4.0 2.2 2.5
assign (resid 15 and name HD# and segid A)(resid 21 and name HN and segid A) 4.0 2.2 2.0
assign (resid 15 and name HD# and segid A)(resid 22 and name HN and segid A) 4.0 2.2 1.0
assign (resid 15 and name HE# and segid A)(resid 22 and name HN and segid A) 4.0 2.2 2.0
assign (resid 17 and name HN and segid A)(resid 37 and name HG# and segid A) 4.0 2.2 2.0
assign (resid 18 and name HN and segid A)(resid 37 and name HG# and segid A) 4.0 2.2 2.0
assign (resid 19 and name HB# and segid A)(resid 33 and name HN and segid A) 4.0 2.2 2.0
assign (resid 19 and name HN and segid A)(resid 37 and name HG# and segid A) 4.0 2.2 1.5
assign (resid 22 and name HN and segid A)(resid 33 and name HB* and segid A) 4.0 2.2 2.5
assign (resid 23 and name HN and segid A)(resid 33 and name HB# and segid A) 3.0 1.2 1.0
assign (resid 23 and name HB# and segid A)(resid 33 and name HN and segid A) 4.0 2.2 1.5
assign (resid 9 and name HN and segid B)(resid 36 and name HG2# and segid B) 4.0 2.2 1.5
assign (resid 9 and name HE2# and segid B)(resid 36 and name HG2# and segid B) 4.0 2.2 1.5
assign (resid 10 and name HN and segid B)(resid 36 and name HG2# and segid B) 4.0 2.2 2.5
assign (resid 15 and name HD# and segid B)(resid 21 and name HN and segid B) 4.0 2.2 2.0
assign (resid 15 and name HD# and segid B)(resid 22 and name HN and segid B) 4.0 2.2 1.0
assign (resid 15 and name HE# and segid B)(resid 22 and name HN and segid B) 4.0 2.2 2.0
assign (resid 17 and name HN and segid B)(resid 37 and name HG# and segid B) 4.0 2.2 2.0
assign (resid 18 and name HN and segid B)(resid 37 and name HG# and segid B) 4.0 2.2 2.0
assign (resid 19 and name HB# and segid B)(resid 33 and name HN and segid B) 4.0 2.2 2.0
assign (resid 19 and name HN and segid B)(resid 37 and name HG# and segid B) 4.0 2.2 1.5
assign (resid 22 and name HN and segid B)(resid 33 and name HB* and segid B) 4.0 2.2 2.5
assign (resid 23 and name HN and segid B)(resid 33 and name HB# and segid B) 3.0 1.2 1.0
assign (resid 23 and name HB# and segid B)(resid 33 and name HN and segid B) 4.0 2.2 1.5
assign (resid 4 and name HA# and segid A)(resid 26 and name HB# and segid A) 4.0 2.2 2.0
assign (resid 4 and name HA# and segid A)(resid 28 and name HD# and segid A) 4.0 2.2 1.5
assign (resid 5 and name HA and segid A)(resid 28 and name HD# and segid A) 4.0 2.2 2.5
assign (resid 5 and name HA and segid A)(resid 36 and name HD# and segid A) 3.0 1.2 0.8
assign (resid 5 and name HA and segid A)(resid 36 and name HG2# and segid A) 4.0 2.2 1.5
assign (resid 5 and name HB and segid A)(resid 36 and name HG2# and segid A) 4.0 2.2 2.5
assign (resid 5 and name HG1# and segid A)(resid 36 and name HG2# and segid A) 4.0 2.2 1.5
assign (resid 5 and name HG2# and segid A)(resid 36 and name HG2# and segid A) 3.0 1.2 0.8
assign (resid 7 and name HB# and segid A)(resid 26 and name HD# and segid A) 4.0 2.2 1.0
assign (resid 7 and name HD# and segid A)(resid 26 and name HZ and segid A) 4.0 2.2 1.0
assign (resid 7 and name HG# and segid A)(resid 26 and name HD# and segid A) 4.0 2.2 2.0
assign (resid 8 and name HA and segid A)(resid 22 and name HG# and segid A) 4.0 2.2 2.0
assign (resid 8 and name HA and segid A)(resid 22 and name HB# and segid A) 4.0 2.2 2.0
assign (resid 8 and name HA and segid A)(resid 36 and name HG2# and segid A) 4.0 2.2 2.5
assign (resid 8 and name HB# and segid A)(resid 22 and name HG# and segid A) 4.0 2.2 2.5
assign (resid 8 and name HB# and segid A)(resid 22 and name HB# and segid A) 4.0 2.2 1.5
assign (resid 8 and name HB# and segid A)(resid 26 and name HB# and segid A) 4.0 2.2 2.5
assign (resid 8 and name HB# and segid A)(resid 26 and name HD# and segid A) 4.0 2.2 1.5
assign (resid 8 and name HB# and segid A)(resid 28 and name HD# and segid A) 4.0 2.2 2.0
assign (resid 8 and name HB# and segid A)(resid 26 and name HB# and segid A) 4.0 2.2 1.5
assign (resid 8 and name HB# and segid A)(resid 36 and name HD* and segid A) 3.0 1.2 1.3
assign (resid 8 and name HB# and segid A)(resid 36 and name HG2* and segid A) 4.0 2.2 2.0
assign (resid 9 and name HA and segid A)(resid 36 and name HG2# and segid A) 3.0 1.2 0.8
assign (resid 9 and name HG# and segid A)(resid 36 and name HG2# and segid A) 3.0 1.2 0.8
assign (resid 9 and name HB# and segid A)(resid 36 and name HG2# and segid A) 4.0 2.2 2.5
assign (resid 12 and name HB# and segid A)(resid 36 and name HG2# and segid A) 4.0 2.2 1.5
assign (resid 12 and name HB# and segid A)(resid 40 and name HB# and segid A) 4.0 2.2 1.0
assign (resid 15 and name HB1 and segid A)(resid 22 and name HB# and segid A) 4.0 2.2 1.0
assign (resid 15 and name HB2 and segid A)(resid 22 and name HB# and segid A) 4.0 2.2 1.0
assign (resid 15 and name HD# and segid A)(resid 21 and name HB# and segid A) 2.5 0.7 0.7
assign (resid 15 and name HE# and segid A)(resid 21 and name HB# and segid A) 2.5 0.7 0.7
assign (resid 15 and name HD# and segid A)(resid 22 and name HA and segid A) 4.0 2.2 1.0
assign (resid 15 and name HD# and segid A)(resid 22 and name HB# and segid A) 4.0 2.2 1.0
assign (resid 16 and name HA and segid A)(resid 37 and name HG# and segid A) 4.0 2.2 2.5
assign (resid 17 and name HB# and segid A)(resid 37 and name HG# and segid A) 4.0 2.2 2.5
assign (resid 19 and name HH2 and segid A)(resid 30 and name HB# and segid A) 4.0 2.2 1.0
assign (resid 19 and name HZ2 and segid A)(resid 30 and name HA and segid A) 4.0 2.2 2.0
assign (resid 19 and name HZ2 and segid A)(resid 30 and name HB# and segid A) 4.0 2.2 2.0
assign (resid 19 and name HZ3 and segid A)(resid 30 and name HA and segid A) 3.0 1.2 0.3
assign (resid 19 and name HZ3 and segid A)(resid 30 and name HB# and segid A) 4.0 2.2 1.0
assign (resid 19 and name HE3 and segid A)(resid 30 and name HA and segid A) 3.0 1.2 0.3
assign (resid 19 and name HE3 and segid A)(resid 30 and name HB# and segid A) 4.0 2.2 1.0
assign (resid 19 and name HD1 and segid A)(resid 33 and name HB# and segid A) 4.0 2.2 2.5
assign (resid 19 and name HA and segid A)(resid 33 and name HB# and segid A) 4.0 2.2 1.5
assign (resid 19 and name HB# and segid A)(resid 33 and name HB# and segid A) 3.0 1.2 0.8
assign (resid 19 and name HE3 and segid A)(resid 33 and name HB# and segid A) 2.5 0.7 0.7
assign (resid 19 and name HZ3 and segid A)(resid 33 and name HB# and segid A) 4.0 2.2 1.5
assign (resid 19 and name HZ2 and segid A)(resid 34 and name HE# and segid A) 3.0 1.2 0.3
assign (resid 19 and name HH2 and segid A)(resid 34 and name HE# and segid A) 4.0 2.2 1.0
assign (resid 19 and name HZ3 and segid A)(resid 34 and name HE# and segid A) 4.0 2.2 2.0
assign (resid 19 and name HB1 and segid A)(resid 34 and name HA and segid A) 4.0 2.2 1.0
assign (resid 19 and name HB2 and segid A)(resid 34 and name HA and segid A) 4.0 2.2 1.0
assign (resid 19 and name HB# and segid A)(resid 34 and name HG# and segid A) 4.0 2.2 2.0
assign (resid 19 and name HB# and segid A)(resid 37 and name HB and segid A) 4.0 2.2 2.0
assign (resid 19 and name HB# and segid A)(resid 37 and name HG# and segid A) 3.0 1.2 0.8
assign (resid 19 and name HA and segid A)(resid 37 and name HG* and segid A) 3.0 1.2 0.8
assign (resid 19 and name HD1 and segid A)(resid 37 and name HG# and segid A) 4.0 2.2 2.5
assign (resid 20 and name HA and segid A)(resid 33 and name HB# and segid A) 4.0 2.2 1.5
assign (resid 20 and name HA and segid A)(resid 30 and name HA and segid A) 4.0 2.2 2.0
assign (resid 20 and name HA and segid A)(resid 33 and name HB# and segid A) 4.0 2.2 2.5
assign (resid 22 and name HB# and segid A)(resid 33 and name HB# and segid A) 4.0 2.2 1.5
assign (resid 22 and name HE# and segid A)(resid 33 and name HA and segid A) 3.0 1.2 0.8
assign (resid 22 and name HE# and segid A)(resid 33 and name HB# and segid A) 2.5 0.7 0.7
assign (resid 22 and name HE# and segid A)(resid 36 and name HG2* and segid A) 3.0 1.2 1.0
assign (resid 23 and name HB# and segid A)(resid 33 and name HA and segid A) 4.0 2.2 1.5
assign (resid 23 and name HA and segid A)(resid 33 and name HB# and segid A) 2.5 0.7 0.7
assign (resid 23 and name HB# and segid A)(resid 33 and name HB# and segid A) 4.0 2.2 2.0
assign (resid 37 and name HG# and segid A)(resid 43 and name HB# and segid A) 4.0 2.2 1.5
assign (resid 37 and name HA and segid A)(resid 43 and name HA and segid A) 4.0 2.2 2.0
assign (resid 4 and name HA# and segid B)(resid 26 and name HB# and segid B) 4.0 2.2 2.0
assign (resid 4 and name HA# and segid B)(resid 28 and name HD# and segid B) 4.0 2.2 1.5
assign (resid 5 and name HA and segid B)(resid 28 and name HD# and segid B) 4.0 2.2 2.5
assign (resid 5 and name HA and segid B)(resid 36 and name HD# and segid B) 3.0 1.2 0.8
assign (resid 5 and name HA and segid B)(resid 36 and name HG2# and segid B) 4.0 2.2 1.5
assign (resid 5 and name HB and segid B)(resid 36 and name HG2# and segid B) 4.0 2.2 2.5
assign (resid 5 and name HG1# and segid B)(resid 36 and name HG2# and segid B) 4.0 2.2 1.5
assign (resid 5 and name HG2# and segid B)(resid 36 and name HG2# and segid B) 3.0 1.2 0.8
assign (resid 7 and name HB# and segid B)(resid 26 and name HD# and segid B) 4.0 2.2 1.0
assign (resid 7 and name HD# and segid B)(resid 26 and name HZ and segid B) 4.0 2.2 1.0
assign (resid 7 and name HG# and segid B)(resid 26 and name HD# and segid B) 4.0 2.2 2.0
assign (resid 8 and name HA and segid B)(resid 22 and name HG# and segid B) 4.0 2.2 2.0
assign (resid 8 and name HA and segid B)(resid 22 and name HB# and segid B) 4.0 2.2 2.0
assign (resid 8 and name HA and segid B)(resid 36 and name HG2# and segid B) 4.0 2.2 2.5
assign (resid 8 and name HB# and segid B)(resid 22 and name HG# and segid B) 4.0 2.2 2.5
assign (resid 8 and name HB# and segid B)(resid 22 and name HB# and segid B) 4.0 2.2 1.5
assign (resid 8 and name HB# and segid B)(resid 26 and name HB# and segid B) 4.0 2.2 2.5
assign (resid 8 and name HB# and segid B)(resid 26 and name HD# and segid B) 4.0 2.2 1.5
assign (resid 8 and name HB# and segid B)(resid 28 and name HD# and segid B) 4.0 2.2 2.0
assign (resid 8 and name HB# and segid B)(resid 26 and name HB# and segid B) 4.0 2.2 1.5
assign (resid 8 and name HB# and segid B)(resid 36 and name HD* and segid B) 3.0 1.2 1.3
assign (resid 8 and name HB# and segid B)(resid 36 and name HG2* and segid B) 4.0 2.2 2.0
assign (resid 9 and name HA and segid B)(resid 36 and name HG2# and segid B) 3.0 1.2 0.8
assign (resid 9 and name HG# and segid B)(resid 36 and name HG2# and segid B) 3.0 1.2 0.8
assign (resid 9 and name HB# and segid B)(resid 36 and name HG2# and segid B) 4.0 2.2 2.5
assign (resid 12 and name HB# and segid B)(resid 36 and name HG2# and segid B) 4.0 2.2 1.5
assign (resid 12 and name HB# and segid B)(resid 40 and name HB# and segid B) 4.0 2.2 1.0
assign (resid 15 and name HB1 and segid B)(resid 22 and name HB# and segid B) 4.0 2.2 1.0
assign (resid 15 and name HB2 and segid B)(resid 22 and name HB# and segid B) 4.0 2.2 1.0
assign (resid 15 and name HD# and segid B)(resid 21 and name HB# and segid B) 2.5 0.7 0.7
assign (resid 15 and name HE# and segid B)(resid 21 and name HB# and segid B) 2.5 0.7 0.7
assign (resid 15 and name HD# and segid B)(resid 22 and name HA and segid B) 4.0 2.2 1.0
assign (resid 15 and name HD# and segid B)(resid 22 and name HB# and segid B) 4.0 2.2 1.0
assign (resid 16 and name HA and segid B)(resid 37 and name HG# and segid B) 4.0 2.2 2.5
assign (resid 17 and name HB# and segid B)(resid 37 and name HG# and segid B) 4.0 2.2 2.5
assign (resid 19 and name HH2 and segid B)(resid 30 and name HB# and segid B) 4.0 2.2 1.0
assign (resid 19 and name HZ2 and segid B)(resid 30 and name HA and segid B) 4.0 2.2 2.0
assign (resid 19 and name HZ2 and segid B)(resid 30 and name HB# and segid B) 4.0 2.2 2.0
assign (resid 19 and name HZ3 and segid B)(resid 30 and name HA and segid B) 3.0 1.2 0.3
assign (resid 19 and name HZ3 and segid B)(resid 30 and name HB# and segid B) 4.0 2.2 1.0
assign (resid 19 and name HE3 and segid B)(resid 30 and name HA and segid B) 3.0 1.2 0.3
assign (resid 19 and name HE3 and segid B)(resid 30 and name HB# and segid B) 4.0 2.2 1.0
assign (resid 19 and name HD1 and segid B)(resid 33 and name HB# and segid B) 4.0 2.2 2.5
assign (resid 19 and name HA and segid B)(resid 33 and name HB# and segid B) 4.0 2.2 1.5
assign (resid 19 and name HB# and segid B)(resid 33 and name HB# and segid B) 3.0 1.2 0.8
assign (resid 19 and name HE3 and segid B)(resid 33 and name HB# and segid B) 2.5 0.7 0.7
assign (resid 19 and name HZ3 and segid B)(resid 33 and name HB# and segid B) 4.0 2.2 1.5
assign (resid 19 and name HZ2 and segid B)(resid 34 and name HE# and segid B) 3.0 1.2 0.3
assign (resid 19 and name HH2 and segid B)(resid 34 and name HE# and segid B) 4.0 2.2 1.0
assign (resid 19 and name HZ3 and segid B)(resid 34 and name HE# and segid B) 4.0 2.2 2.0
assign (resid 19 and name HB1 and segid B)(resid 34 and name HA and segid B) 4.0 2.2 1.0
assign (resid 19 and name HB2 and segid B)(resid 34 and name HA and segid B) 4.0 2.2 1.0
assign (resid 19 and name HB# and segid B)(resid 34 and name HG# and segid B) 4.0 2.2 2.0
assign (resid 19 and name HB# and segid B)(resid 37 and name HB and segid B) 4.0 2.2 2.0
assign (resid 19 and name HB# and segid B)(resid 37 and name HG# and segid B) 3.0 1.2 0.8
assign (resid 19 and name HA and segid B)(resid 37 and name HG* and segid B) 3.0 1.2 0.8
assign (resid 19 and name HD1 and segid B)(resid 37 and name HG# and segid B) 4.0 2.2 2.5
assign (resid 20 and name HA and segid B)(resid 33 and name HB# and segid B) 4.0 2.2 1.5
assign (resid 20 and name HA and segid B)(resid 30 and name HA and segid B) 4.0 2.2 2.0
assign (resid 20 and name HA and segid B)(resid 33 and name HB# and segid B) 4.0 2.2 2.5
assign (resid 22 and name HB# and segid B)(resid 33 and name HB# and segid B) 4.0 2.2 1.5
assign (resid 22 and name HE# and segid B)(resid 33 and name HA and segid B) 3.0 1.2 0.8
assign (resid 22 and name HE# and segid B)(resid 33 and name HB# and segid B) 2.5 0.7 0.7
assign (resid 22 and name HE# and segid B)(resid 36 and name HG2* and segid B) 3.0 1.2 1.0
assign (resid 23 and name HB# and segid B)(resid 33 and name HA and segid B) 4.0 2.2 1.5
assign (resid 23 and name HA and segid B)(resid 33 and name HB# and segid B) 2.5 0.7 0.7
assign (resid 23 and name HB# and segid B)(resid 33 and name HB# and segid B) 4.0 2.2 2.0
assign (resid 37 and name HG# and segid B)(resid 43 and name HB# and segid B) 4.0 2.2 1.5
assign (resid 37 and name HA and segid B)(resid 43 and name HA and segid B) 4.0 2.2 2.0


assign (resid 15 and name HD# and segid A)(resid 15 and name HN and segid A) 3.0 1.2 0.5
assign (resid 18 and name HN and segid A)(resid 18 and name HD2* and segid A) 4.0 2.2 1.0
assign (resid 19 and name HD1 and segid A)(resid 19 and name HN and segid A) 2.5 0.7 0.4
assign (resid 26 and name HD# and segid A)(resid 26 and name HN and segid A) 2.5 0.7 0.4
assign (resid 31 and name HB and segid A)(resid 31 and name HN and segid A) 2.5 0.7 0.4
assign (resid 15 and name HD# and segid B)(resid 15 and name HN and segid B) 3.0 1.2 0.5
assign (resid 18 and name HN and segid B)(resid 18 and name HD2* and segid B) 4.0 2.2 1.0
assign (resid 19 and name HD1 and segid B)(resid 19 and name HN and segid B) 2.5 0.7 0.4
assign (resid 26 and name HD# and segid B)(resid 26 and name HN and segid B) 2.5 0.7 0.4
assign (resid 31 and name HB and segid B)(resid 31 and name HN and segid B) 2.5 0.7 0.4



!Intermolecular NOEs
assign	(resid 1 and name HE# and (segid A  )) 
     (resid  1 and name  HD* and (segid B  )) 3.0  1.2  0.3 !
assign	(resid 1 and name HE# and (segid B  )) 
     (resid  1 and name  HD* and (segid A  )) 3.0  1.2  0.3
assign	(resid 1 and name HE# and (segid A  )) 
     (resid 28 and name HD2* and (segid B  )) 3.0  1.2  0.8 !
assign	(resid 1 and name HE# and (segid B  )) 
     (resid 28 and name HD2* and (segid A  )) 3.0  1.2  0.8  !
assign	(resid 1 and name  HZ and (segid A  )) 
     (resid 32 and name HG2* and (segid B  )) 3.0  1.2  0.8 
assign	(resid 1 and name  HZ and (segid B  )) 
     (resid 32 and name HG2* and (segid A  )) 3.0  1.2  0.8
assign	(resid 1 and name HE# and (segid A  )) 
     (resid 32 and name HG2* and (segid B  )) 2.5  0.7  0.7 
assign	(resid 1 and name HE# and (segid B  )) 
     (resid 32 and name HG2* and (segid A  )) 2.5  0.7  0.7


assign	(resid  2 and name HD# and segid A) (resid 31 and name HG#  and segid B) 4.0  2.2  2.0
assign	(resid  2 and name HD# and segid B) (resid 31 and name HG#  and segid A) 4.0  2.2  2.0


assign	(resid 31 and name HG# and segid A) (resid 31 and name HG* and segid B) 2.5  0.7  0.2
assign	(resid 31 and name HG# and segid B) (resid 31 and name HG* and segid A) 2.5  0.7  0.2
assign	(resid 31 and name HB and segid A) (resid 32 and name HG* and segid B) 4.0  2.2  1.0
assign	(resid 31 and name HA and segid A) (resid 32 and name HG* and segid B) 4.0  2.2  1.0
assign	(resid 31 and name HB and segid B) (resid 32 and name HG* and segid A) 4.0  2.2  1.0
assign	(resid 31 and name HA and segid B) (resid 32 and name HG* and segid A) 4.0  2.2  1.0
assign  (resid 31 and name HG# and segid A) (resid 35 and name HG*  and segid B) 4.0  2.2  2.0
assign  (resid 31 and name HG# and segid B) (resid 35 and name HG*  and segid A) 4.0  2.2  2.0


assign	(resid 35 and name HA and segid A) (resid 35 and name HB*   and segid B) 4.0  2.2  1.0
assign	(resid 35 and name HA and segid B) (resid 35 and name HB*   and segid A) 4.0  2.2  1.0
assign	(resid 35 and name HA and segid A) (resid 35 and name HG*   and segid B) 4.0  2.2  1.0
assign	(resid 35 and name HA and segid B) (resid 35 and name HG*   and segid A) 4.0  2.2  1.0
assign	(resid 35 and name HG# and segid A) (resid 35 and name HB*   and segid B) 4.0  2.2  1.0
assign	(resid 35 and name HG# and segid B) (resid 35 and name HB*   and segid A) 4.0  2.2  1.0

assign	(resid 35 and name HA and segid A) (resid 38 and name HB*   and segid B) 4.0  2.2  1.0

assign (resid 38 and name HA and segid A) (resid 38 and name HB#   and segid B) 3.0  1.2  0.3 
assign (resid 38 and name HA and segid B) (resid 38 and name HB#   and segid A) 3.0  1.2  0.3
assign (resid 38 and name HB* and segid A) (resid 38 and name HB#   and segid B) 2.5 0.7 0.2
assign (resid 38 and name HB* and segid B) (resid 38 and name HB#   and segid A) 2.5 0.7 0.2


assign	(resid 45 and name HG and segid A) (resid 45 and name HD* and segid B) 4.0  2.2  1.0
assign	(resid 45 and name HG and segid B) (resid 45 and name HD* and segid A) 4.0  2.2  1.0
assign	(resid 45 and name HA and segid A) (resid 45 and name HD* and segid B) 3.0  1.2  0.3
assign	(resid 45 and name HA and segid B) (resid 45 and name HD* and segid A) 3.0  1.2  0.3

assign	(resid 49 and name HA and segid A) (resid 49 and name HB#   and segid B) 4.0  2.2  1.0 
assign	(resid 49 and name HA and segid B) (resid 49 and name HB#   and segid A) 4.0  2.2  1.0  
assign	(resid 49 and name HB* and segid A) (resid 49 and name HB#   and segid B) 3.0  1.2  0.8
assign	(resid 49 and name HB* and segid B) (resid 49 and name HB#   and segid A) 3.0  1.2  0.8

assign	(resid 50 and name HA and segid A) (resid 50 and name HB#   and segid B) 4.0  2.2  1.5 
assign	(resid 50 and name HA and segid B) (resid 50 and name HB#   and segid A) 4.0  2.2  1.5 




!Ambiguous Intra/inter-subunit NOEs
assign (resid   5 and name  HD*  ) (resid   1 and name  HD# )  3.0  1.2  0.8
assign (resid   5 and name  HD*  ) (resid   1 and name  HE# )  4.0  2.2  1.5
assign	(resid  5 and name HA    ) (resid 28 and name HD#   )  4.0  2.2  1.0
assign	(resid  5 and name HG1#    ) (resid 28 and name HD#   )  4.0  2.2  2.0
assign (resid   5 and name  HD*  ) (resid  28 and name  HD# )  4.0  2.2  2.0
assign	(resid  5 and name HB    ) (resid 31 and name HG#   )  4.0  2.2  1.5
assign	(resid  5 and name HG1#    ) (resid 31 and name HG#   )  3.0  1.2  1.5


!H-bond restraints

ASSIGN (RESID  20 AND NAME O  and segid A)  (RESID 24 AND NAME N  and segid A) 3.3 1.0 0.2          
ASSIGN (RESID  20 AND NAME O  and segid A)  (RESID 24 AND NAME HN  and segid A) 2.3 1.0 0.2          
ASSIGN (RESID  21 AND NAME O  and segid A)  (RESID 25 AND NAME N  and segid A) 3.3 1.0 0.2          
ASSIGN (RESID  21 AND NAME O  and segid A)  (RESID 25 AND NAME HN  and segid A) 2.3 1.0 0.2
ASSIGN (RESID  22 AND NAME O  and segid A)  (RESID 26 AND NAME N  and segid A) 3.3 1.0 0.2          
ASSIGN (RESID  22 AND NAME O  and segid A)  (RESID 26 AND NAME HN  and segid A) 2.3 1.0 0.2
ASSIGN (RESID  31 AND NAME O  and segid A)  (RESID 35 AND NAME N  and segid A) 3.3 1.0 0.2          
ASSIGN (RESID  31 AND NAME O  and segid A)  (RESID 35 AND NAME HN  and segid A) 2.3 1.0 0.2
ASSIGN (RESID  32 AND NAME O  and segid A)  (RESID 36 AND NAME N  and segid A) 3.3 1.0 0.2          
ASSIGN (RESID  32 AND NAME O  and segid A)  (RESID 36 AND NAME HN  and segid A) 2.3 1.0 0.2
ASSIGN (RESID  33 AND NAME O  and segid A)  (RESID 37 AND NAME N  and segid A) 3.3 1.0 0.2          
ASSIGN (RESID  33 AND NAME O  and segid A)  (RESID 37 AND NAME HN  and segid A) 2.3 1.0 0.2 
ASSIGN (RESID  34 AND NAME O  and segid A)  (RESID 38 AND NAME N  and segid A) 3.3 1.0 0.2          
ASSIGN (RESID  34 AND NAME O  and segid A)  (RESID 38 AND NAME HN  and segid A) 2.3 1.0 0.2  

assign (resid 27 and name nd2 and segid A) (resid 24 and name o and segid A) 3.3 1.0 0.2
assign (resid 27 and name hd2# and segid A) (resid 24 and name o and segid A) 2.3 1.0 0.2


ASSIGN (RESID  20 AND NAME O  and segid B)  (RESID 24 AND NAME N  and segid B) 3.3 1.0 0.2          
ASSIGN (RESID  20 AND NAME O  and segid B)  (RESID 24 AND NAME HN  and segid B) 2.3 1.0 0.2          
ASSIGN (RESID  21 AND NAME O  and segid B)  (RESID 25 AND NAME N  and segid B) 3.3 1.0 0.2          
ASSIGN (RESID  21 AND NAME O  and segid B)  (RESID 25 AND NAME HN  and segid B) 2.3 1.0 0.2
ASSIGN (RESID  22 AND NAME O  and segid B)  (RESID 26 AND NAME N  and segid B) 3.3 1.0 0.2          
ASSIGN (RESID  22 AND NAME O  and segid B)  (RESID 26 AND NAME HN  and segid B) 2.3 1.0 0.2

ASSIGN (RESID  31 AND NAME O  and segid B)  (RESID 35 AND NAME N  and segid B) 3.3 1.0 0.2          
ASSIGN (RESID  31 AND NAME O  and segid B)  (RESID 35 AND NAME HN  and segid B) 2.3 1.0 0.2
ASSIGN (RESID  32 AND NAME O  and segid B)  (RESID 36 AND NAME N  and segid B) 3.3 1.0 0.2          
ASSIGN (RESID  32 AND NAME O  and segid B)  (RESID 36 AND NAME HN  and segid B) 2.3 1.0 0.2
ASSIGN (RESID  33 AND NAME O  and segid B)  (RESID 37 AND NAME N  and segid B) 3.3 1.0 0.2          
ASSIGN (RESID  33 AND NAME O  and segid B)  (RESID 37 AND NAME HN  and segid B) 2.3 1.0 0.2 
ASSIGN (RESID  34 AND NAME O  and segid B)  (RESID 38 AND NAME N  and segid B) 3.3 1.0 0.2          
ASSIGN (RESID  34 AND NAME O  and segid B)  (RESID 38 AND NAME HN  and segid B) 2.3 1.0 0.2  


assign (resid 27 and name nd2 and segid b) (resid 24 and name o and segid b) 3.3 1.0 0.2
assign (resid 27 and name hd2# and segid b) (resid 24 and name o and segid b) 2.3 1.0 0.2


assign (resid 44 and name oe1 and segid a) (resid 44 and name ne2 and segid b) 3.0 0.7 0.5
assign (resid 44 and name oe1 and segid a) (resid 44 and name he2# and segid b) 2.0 0.7 0.5





!B. DIHEDRAL ANGLE RESTRAINTS



!Backbone torsional angle constraints
  !! F1 
 assign (resid  1  and name n  and segid A) (resid  1  and name ca and segid A) 
        (resid  1  and name c  and segid A)(resid  2  and name n  and segid A)    1.0 100 40 2

  !!    L2
 assign (resid  1  and name c  and segid A) (resid  2  and name n  and segid A)
        (resid  2  and name ca and segid A) (resid  2  and name c  and segid A)   1.0 -100.0 30.0 2

 assign (resid  2  and name n  and segid A) (resid  2  and name ca and segid A) 
        (resid  2  and name c  and segid A)(resid  3  and name n  and segid A)    1.0 130.0 25.0 2
  !!    D3
 assign (resid  2  and name c  and segid A) (resid  3  and name n  and segid A) 
        (resid  3  and name ca and segid A) (resid  3  and name c  and segid A)   1.0 -60.0 20.0 2

 assign (resid  3  and name n  and segid A) (resid  3  and name ca and segid A) 
        (resid  3  and name c  and segid A) (resid  4  and name n  and segid A)  1.0 -40.0 30.0 2
  !!    g4
 assign (resid  3  and name c  and segid A) (resid  4  and name n  and segid A) 
        (resid  4  and name ca and segid A) (resid  4  and name c  and segid A)   1.0 -60.0 20.0 2

 assign (resid  4  and name n  and segid A) (resid  4  and name ca and segid A) 
        (resid  4  and name c  and segid A) (resid  5  and name n  and segid A)   1.0 -40.0 30.0 2

  
  !!    I5
 assign (resid  4  and name c  and segid A) (resid  5  and name n  and segid A)
        (resid  5  and name ca and segid A) (resid  5  and name c  and segid A)   1.0 -60.0 20.0 2

 assign (resid  5  and name n  and segid A) (resid  5  and name ca and segid A) 
        (resid  5  and name c  and segid A)(resid  6  and name n  and segid A)    1.0 -40.0 30.0 2
  !!    D6
 assign (resid  5  and name c  and segid A) (resid  6  and name n  and segid A) 
        (resid  6  and name ca and segid A) (resid  6  and name c  and segid A)   1.0 -60.0 20.0 2

  !!    K7
 assign (resid  6  and name c  and segid A) (resid  7  and name n  and segid A) 
        (resid  7  and name ca and segid A) (resid  7  and name c  and segid A)   1.0 -60.0 20.0 2

 assign (resid  7  and name n  and segid A) (resid  7  and name ca and segid A) 
        (resid  7  and name c  and segid A) (resid  8  and name n  and segid A)   1.0 -40.0 30.0 2
  !!    A8
 assign (resid  7  and name c  and segid A) (resid  8  and name n  and segid A)  
        (resid  8  and name ca and segid A) (resid  8  and name c  and segid A)   1.0 -60.0 20.0 2

 assign (resid  8  and name n  and segid A) (resid  8  and name ca and segid A) 
        (resid  8  and name c  and segid A) (resid  9  and name n  and segid A)   1.0 -40.0 30.0 2 
  !!    Q9
 assign (resid  8  and name c  and segid A) (resid  9  and name n  and segid A) 
        (resid  9  and name ca and segid A) (resid  9  and name c  and segid A)   1.0 -60.0 20.0 2

 assign (resid  9  and name n  and segid A) (resid  9  and name ca and segid A) 
        (resid  9  and name c  and segid A) (resid  10  and name n and segid A)   1.0 -40.0 30.0 2
  !!    E10
 assign (resid  9  and name c  and segid A) (resid  10  and name n  and segid A)
        (resid 10  and name ca and segid A) (resid  10  and name c  and segid A)  1.0 -60.0 20.0 2

 assign (resid  10  and name n  and segid A) (resid 10  and name ca and segid A)
        (resid  10  and name c  and segid A) (resid 11 and name n  and segid A)   1.0 -30.0 40.0 2  


  !!    E11
 assign (resid 10 and name c  and segid A) (resid 11 and name n  and segid A)   
        (resid 11 and name ca and segid A) (resid 11 and name c  and segid A)   1.0 -80.0 35.0 2

 assign	(resid 11 and name n  and segid A) (resid 11 and name ca and segid A)
        (resid 11 and name c  and segid A)(resid 12 and name n  and segid A)    1.0 15.0 65.0 2
  !!    H12
assign (resid 11 and name c  and segid A) (resid 12 and name n  and segid A) 
        (resid 12 and name ca and segid A) (resid 12 and name c  and segid A)    1.0 -50.0 20.0 2  
  
 assign	(resid 12 and name n  and segid A) (resid 12 and name ca and segid A)
        (resid 12 and name c  and segid A)(resid 13 and name n  and segid A)    1.0 -40.0 30.0 2
  !!    E13
 assign (resid 12 and name c  and segid A) (resid 13 and name n  and segid A) 
        (resid 13 and name ca and segid A) (resid 13 and name c  and segid A)    1.0 -60.0 20.0 2

 assign	(resid 13 and name n  and segid A) (resid 13 and name ca and segid A)
        (resid 13 and name c  and segid A)(resid 14 and name n  and segid A)      1.0 -40.0 30.0 2   		
	
  !!    K14
 assign (resid 13 and name c  and segid A) (resid 14 and name n  and segid A) 
        (resid 14 and name ca and segid A) (resid 14 and name c  and segid A)    1.0 -60.0 20.0 2

 assign	(resid 14 and name n  and segid A) (resid 14 and name ca and segid A)
        (resid 14 and name c  and segid A)(resid 15 and name n  and segid A)     1.0 -40.0 30.0 2   
   
!!    Y15
 assign (resid 14 and name c  and segid A) (resid 15 and name n  and segid A)
        (resid 15 and name ca and segid A) (resid 15 and name c  and segid A)    1.0 -80.0 30.0 2

 assign (resid 15 and name n  and segid A) (resid 15 and name ca and segid A)
        (resid 15 and name c  and segid A)(resid 16 and name n  and segid A)     1.0 -40.0 30.0 2

 !!   H16

 assign (resid 15 and name c  and segid A) (resid 16 and name n  and segid A)
        (resid 16 and name ca and segid A) (resid 16 and name c  and segid A)    1.0 90.0 30.0 2

assign (resid 16 and name n  and segid A) (resid 16 and name ca and segid A)
       (resid 16 and name c  and segid A)(resid 17 and name n  and segid A)     1.0 -130.0 40.0 2

 !!   S17

 assign (resid 16 and name c  and segid A) (resid 17 and name n  and segid A)
        (resid 17 and name ca and segid A) (resid 17 and name c  and segid A)    1.0 -70.0 30.0 2

 assign (resid 17 and name n  and segid A) (resid 17 and name ca and segid A)
        (resid 17 and name c  and segid A)(resid 18 and name n  and segid A)     1.0 -30.0 50.0 2



  !!    N18
 assign (resid 17 and name c  and segid A) (resid 18 and name n  and segid A) 
        (resid 18 and name ca and segid A) (resid 18 and name c  and segid A)   1.0 -75.0 40.0 2


 !!    W19
 assign (resid 18 and name c  and segid A) (resid 19 and name n  and segid A) 
        (resid 19 and name ca and segid A) (resid 19 and name c  and segid A)   1.0 -60.0 30.0 2
	
  
  !!    R20
 assign (resid 19 and name c  and segid A) (resid 20 and name n  and segid A) 
        (resid 20 and name ca and segid A) (resid 20 and name c  and segid A)   1.0 -60.0 20.0 2  

 assign	(resid 20 and name n  and segid A) (resid 20 and name ca and segid A)
        (resid 20 and name c  and segid A)(resid 21 and name n  and segid A)    1.0 -40.0 30.0 2 

  !!    A21
 assign (resid 20 and name c  and segid A) (resid 21 and name n  and segid A) 
        (resid 21 and name ca and segid A) (resid 21 and name c  and segid A)   1.0 -60.0 20.0 2
 assign	(resid 21 and name n  and segid A) (resid 21 and name ca and segid A)
        (resid 21 and name c  and segid A)(resid 22 and name n  and segid A)    1.0 -40.0 30.0 2 	
 
 !!    M22
 assign (resid 21 and name c  and segid A) (resid 22 and name n  and segid A) 
        (resid 22 and name ca and segid A) (resid 22 and name c  and segid A)   1.0 -60.0 20.0 2
 
 assign	(resid 22 and name n  and segid A) (resid 22 and name ca and segid A)
        (resid 22 and name c  and segid A)(resid 23 and name n  and segid A)    1.0 -40.0 30.0 2	

  !!    A23
 assign (resid 22 and name c  and segid A) (resid 23 and name n  and segid A)
        (resid 23 and name ca and segid A) (resid 23 and name c  and segid A)   1.0 -60.0 20.0 2

 assign	(resid 23 and name n  and segid A) (resid 23 and name ca and segid A)
        (resid 23 and name c  and segid A)(resid 24 and name n  and segid A)    1.0 -40.0 30.0 2

  !!    S24
 assign (resid 23 and name c  and segid A) (resid 24 and name n  and segid A)
        (resid 24 and name ca and segid A) (resid 24 and name c  and segid A)   1.0 -60.0 20.0 2
 assign	(resid 24 and name n  and segid A) (resid 24 and name ca and segid A)
        (resid 24 and name c  and segid A)(resid 25 and name n  and segid A)    1.0 -40.0 30.0 2

  !!    D25
 assign (resid 24 and name c  and segid A) (resid 25 and name n  and segid A)
        (resid 25 and name ca and segid A) (resid 25 and name c  and segid A)   1.0 -60.0 20.0 2
assign	(resid 25 and name n  and segid A) (resid 25 and name ca and segid A)
       (resid 25 and name c  and segid A)(resid 26 and name n  and segid A)    1.0 -40.0 30.0 2

  !!F26
assign (resid 25 and name c  and segid A) (resid 26 and name n  and segid A)
        (resid 26 and name ca and segid A) (resid 26 and name c  and segid A)   1.0 -95.0 30.0 2

  !!N27
assign (resid 26 and name c  and segid A) (resid 27 and name n  and segid A)
        (resid 27 and name ca and segid A) (resid 27 and name c  and segid A)   1.0  50.0 30.0 2

assign (resid 27 and name n  and segid A) (resid 27 and name ca and segid A)
        (resid 27 and name c  and segid A)(resid 28 and name n  and segid A)     1.0 40.0 40.0 2 

  !!L28
assign (resid 27 and name c  and segid A) (resid 28 and name n  and segid A)
        (resid 28 and name ca and segid A) (resid 28 and name c  and segid A)   1.0  -110.0 25.0 2

  !!P29
assign (resid 28 and name c  and segid A) (resid 29 and name n  and segid A)
        (resid 29 and name ca and segid A) (resid 29 and name c  and segid A)   1.0  -60.0 40.0 2

  !!P30
assign (resid 29 and name c  and segid A) (resid 30 and name n  and segid A)
        (resid 30 and name ca and segid A) (resid 30 and name c  and segid A)   1.0  -50.0 40.0 2


  !!    V31
assign (resid 30 and name c  and segid A) (resid 31 and name n  and segid A)
       (resid 31 and name ca and segid A) (resid 31 and name c  and segid A)   1.0 -60.0 20.0 2

assign (resid 31 and name n  and segid A) (resid 31 and name ca and segid A)
      (resid 31 and name c  and segid A)(resid 32 and name n  and segid A)    1.0 -50.0 30.0 2

  !!    V32
assign (resid 31 and name c  and segid A) (resid 32 and name n  and segid A) 
       (resid 32 and name ca and segid A) (resid 32 and name c  and segid A)    1.0 -60.0 20.0 2

assign (resid 32 and name n  and segid A) (resid 32 and name ca and segid A)
       (resid 32 and name c  and segid A)(resid 33 and name n  and segid A)    1.0 -40.0 30.0 2
  !!    A33
 assign (resid 32 and name c  and segid A) (resid 33 and name n  and segid A)
        (resid 33 and name ca and segid A) (resid 33 and name c  and segid A)    1.0 -60.0 20.0 2

 assign (resid 33 and name n  and segid A) (resid 33 and name ca and segid A)
       (resid 33 and name c  and segid A)(resid 34 and name n  and segid A)    1.0 -40.0 30.0 2

  !!    N34
 assign (resid 33 and name c  and segid A) (resid 34 and name n  and segid A)
        (resid 34 and name ca and segid A) (resid 34 and name c  and segid A)    1.0 -60.0 20.0 2

 assign (resid 34 and name n  and segid A) (resid 34 and name ca and segid A)
       (resid 34 and name c  and segid A)(resid 35 and name n  and segid A)    1.0 -40.0 30.0 2

  !!    E35
 assign (resid 34 and name c  and segid A) (resid 35 and name n  and segid A)
        (resid 35 and name ca and segid A) (resid 35 and name c  and segid A)    1.0 -60.0 20.0 2
 assign (resid 35 and name n  and segid A) (resid 35 and name ca and segid A)
       (resid 35 and name c  and segid A)(resid 36 and name n  and segid A)    1.0 -40.0 30.0 2

  !!    I36
 assign (resid 35 and name c  and segid A) (resid 36 and name n  and segid A)
        (resid 36 and name ca and segid A) (resid 36 and name c  and segid A)    1.0 -60.0 20.0 2

 assign (resid 36 and name n  and segid A) (resid 36 and name ca and segid A)
       (resid 36 and name c  and segid A)(resid 37 and name n  and segid A)    1.0 -40.0 30.0 2

  !!    V37
 assign (resid 36 and name c  and segid A) (resid 37 and name n  and segid A) 
       (resid 37 and name ca and segid A) (resid 37 and name c  and segid A)      1.0 -60.0 20.0 2 

 assign (resid 37 and name n  and segid A) (resid 37 and name ca and segid A)
        (resid 37 and name c  and segid A)(resid 38 and name n  and segid A)    1.0 -40.0 30.0 2

 !!    V38
 assign (resid 37 and name c  and segid A) (resid 38 and name n  and segid A) 
       (resid 38 and name ca and segid A) (resid 38 and name c  and segid A)      1.0 -60.0 20.0 2 

assign (resid 38 and name n  and segid A) (resid 38 and name ca and segid A)
        (resid 38 and name c  and segid A)(resid 39 and name n  and segid A)     1.0 -40.0 60.0 2 

!!    S39
 assign (resid 38 and name c  and segid A) (resid 39 and name n  and segid A) 
       (resid 39 and name ca and segid A) (resid 39 and name c  and segid A)      1.0 -90.0 30.0 2 

!!    C40
 assign (resid 39 and name c  and segid A) (resid 40 and name n  and segid A) 
       (resid 40 and name ca and segid A) (resid 40 and name c  and segid A)      1.0 -50.0 30.0 2 
 
  !!    D41
 assign (resid 40 and name c  and segid A) (resid 41 and name n  and segid A) 
        (resid 41 and name ca and segid A) (resid 41 and name c  and segid A)    1.0 -70.0 30.0 2 

assign (resid 41 and name n  and segid A) (resid 41 and name ca and segid A)
        (resid 41 and name c  and segid A)(resid 42 and name n  and segid A)     1.0 -40.0 50.0 2 

 !!    K42
 assign (resid 41 and name c  and segid A) (resid 42 and name n  and segid A) 
        (resid 42 and name ca and segid A) (resid 42 and name c  and segid A)    1.0 -70.0 30.0 2

 !!    C43
 assign (resid 42 and name c  and segid A) (resid 43 and name n  and segid A) 
        (resid 43 and name ca and segid A) (resid 43 and name c  and segid A)    1.0 -70.0 30.0 2

 assign (resid 43 and name n  and segid A) (resid 43 and name ca and segid A)
       (resid 43 and name c  and segid A)(resid 44 and name n  and segid A)    1.0 0.0 30.0 2

  !!    Q44
 assign (resid 43 and name c  and segid A) (resid 44 and name n  and segid A)
        (resid 44 and name ca and segid A) (resid 44 and name c  and segid A)    1.0 -70.0 30.0 2

 assign (resid 44 and name n  and segid A) (resid 44 and name ca and segid A)
       (resid 44 and name c  and segid A)(resid 45 and name n  and segid A)    1.0 -80.0 40.0 2

  !!    L45
 assign (resid 44 and name c  and segid A) (resid 45 and name n  and segid A)
        (resid 45 and name ca and segid A) (resid 45 and name c  and segid A)    1.0 -80.0 30.0 2
 assign (resid 45 and name n  and segid A) (resid 45 and name ca and segid A)
       (resid 45 and name c  and segid A)(resid 46 and name n  and segid A)    1.0 145.0 30.0 2
  !!    K46
 assign (resid 45 and name c  and segid A) (resid 46 and name n  and segid A)
        (resid 46 and name ca and segid A) (resid 46 and name c  and segid A)    1.0 -90.0 30.0 2
  

  !! F1 
 assign (resid  1  and name n  and segid B) (resid  1  and name ca and segid B) 
        (resid  1  and name c  and segid B)(resid  2  and name n  and segid B)    1.0 100 40 2

  !!    L2
 assign (resid  1  and name c  and segid B) (resid  2  and name n  and segid B)
        (resid  2  and name ca and segid B) (resid  2  and name c  and segid B)   1.0 -100.0 30.0 2

 assign (resid  2  and name n  and segid B) (resid  2  and name ca and segid B) 
        (resid  2  and name c  and segid B)(resid  3  and name n  and segid B)    1.0 130.0 25.0 2
  !!    D3
 assign (resid  2  and name c  and segid B) (resid  3  and name n  and segid B) 
        (resid  3  and name ca and segid B) (resid  3  and name c  and segid B)   1.0 -60.0 20.0 2

 assign (resid  3  and name n  and segid B) (resid  3  and name ca and segid B) 
        (resid  3  and name c  and segid B) (resid  4  and name n  and segid B)  1.0 -40.0 30.0 2
  !!    g4
 assign (resid  3  and name c  and segid B) (resid  4  and name n  and segid B) 
        (resid  4  and name ca and segid B) (resid  4  and name c  and segid B)   1.0 -60.0 20.0 2

 assign (resid  4  and name n  and segid B) (resid  4  and name ca and segid B) 
        (resid  4  and name c  and segid B) (resid  5  and name n  and segid B)   1.0 -40.0 30.0 2

  !!    I5
 assign (resid  4  and name c  and segid B) (resid  5  and name n  and segid B)
        (resid  5  and name ca and segid B) (resid  5  and name c  and segid B)   1.0 -60.0 20.0 2

 assign (resid  5  and name n  and segid B) (resid  5  and name ca and segid B) 
        (resid  5  and name c  and segid B)(resid  6  and name n  and segid B)    1.0 -40.0 30.0 2
  !!    D6
 assign (resid  5  and name c  and segid B) (resid  6  and name n  and segid B) 
        (resid  6  and name ca and segid B) (resid  6  and name c  and segid B)   1.0 -60.0 20.0 2

  !!    K7
 assign (resid  6  and name c  and segid B) (resid  7  and name n  and segid B) 
        (resid  7  and name ca and segid B) (resid  7  and name c  and segid B)   1.0 -60.0 20.0 2

 assign (resid  7  and name n  and segid B) (resid  7  and name ca and segid B) 
        (resid  7  and name c  and segid B) (resid  8  and name n  and segid B)   1.0 -40.0 30.0 2
  !!    A8
 assign (resid  7  and name c  and segid B) (resid  8  and name n  and segid B)  
        (resid  8  and name ca and segid B) (resid  8  and name c  and segid B)   1.0 -60.0 20.0 2

 assign (resid  8  and name n  and segid B) (resid  8  and name ca and segid B) 
        (resid  8  and name c  and segid B) (resid  9  and name n  and segid B)   1.0 -40.0 30.0 2 
  !!    Q9
 assign (resid  8  and name c  and segid B) (resid  9  and name n  and segid B) 
        (resid  9  and name ca and segid B) (resid  9  and name c  and segid B)   1.0 -60.0 20.0 2

 assign (resid  9  and name n  and segid B) (resid  9  and name ca and segid B) 
        (resid  9  and name c  and segid B) (resid  10  and name n and segid B)   1.0 -40.0 30.0 2
  !!    E10
 assign (resid  9  and name c  and segid B) (resid  10  and name n  and segid B)
        (resid 10  and name ca and segid B) (resid  10  and name c  and segid B)  1.0 -60.0 20.0 2

 assign (resid  10  and name n  and segid B) (resid 10  and name ca and segid B)
        (resid  10  and name c  and segid B) (resid 11 and name n  and segid B)   1.0 -30.0 40.0 2  


  !!    E11
 assign (resid 10 and name c  and segid B) (resid 11 and name n  and segid B)   
        (resid 11 and name ca and segid B) (resid 11 and name c  and segid B)   1.0 -80.0 35.0 2

 assign	(resid 11 and name n  and segid B) (resid 11 and name ca and segid B)
        (resid 11 and name c  and segid B)(resid 12 and name n  and segid B)    1.0 15.0 65.0 2
  !!    H12
assign (resid 11 and name c  and segid B) (resid 12 and name n  and segid B) 
        (resid 12 and name ca and segid B) (resid 12 and name c  and segid B)    1.0 -50.0 20.0 2  
  
 assign	(resid 12 and name n  and segid B) (resid 12 and name ca and segid B)
        (resid 12 and name c  and segid B)(resid 13 and name n  and segid B)    1.0 -40.0 30.0 2
  !!    E13
 assign (resid 12 and name c  and segid B) (resid 13 and name n  and segid B) 
        (resid 13 and name ca and segid B) (resid 13 and name c  and segid B)    1.0 -60.0 20.0 2

 assign	(resid 13 and name n  and segid B) (resid 13 and name ca and segid B)
        (resid 13 and name c  and segid B)(resid 14 and name n  and segid B)      1.0 -40.0 30.0 2   		
	
  !!    K14
 assign (resid 13 and name c  and segid B) (resid 14 and name n  and segid B) 
        (resid 14 and name ca and segid B) (resid 14 and name c  and segid B)    1.0 -60.0 20.0 2

 assign	(resid 14 and name n  and segid B) (resid 14 and name ca and segid B)
        (resid 14 and name c  and segid B)(resid 15 and name n  and segid B)     1.0 -40.0 30.0 2   
   
!!    Y15
 assign (resid 14 and name c  and segid B) (resid 15 and name n  and segid B)
        (resid 15 and name ca and segid B) (resid 15 and name c  and segid B)    1.0 -80.0 30.0 2

 assign (resid 15 and name n  and segid B) (resid 15 and name ca and segid B)
        (resid 15 and name c  and segid B)(resid 16 and name n  and segid B)     1.0 -40.0 30.0 2

 !!   H16

 assign (resid 15 and name c  and segid B) (resid 16 and name n  and segid B)
        (resid 16 and name ca and segid B) (resid 16 and name c  and segid B)    1.0 90.0 30.0 2

assign (resid 16 and name n  and segid B) (resid 16 and name ca and segid B)
       (resid 16 and name c  and segid B)(resid 17 and name n  and segid B)     1.0 -130.0 40.0 2

 !!   S17

 assign (resid 16 and name c  and segid B) (resid 17 and name n  and segid B)
        (resid 17 and name ca and segid B) (resid 17 and name c  and segid B)    1.0 -70.0 30.0 2

 assign (resid 17 and name n  and segid B) (resid 17 and name ca and segid B)
        (resid 17 and name c  and segid B)(resid 18 and name n  and segid B)     1.0 -30.0 50.0 2



  !!    N18
 assign (resid 17 and name c  and segid B) (resid 18 and name n  and segid B) 
        (resid 18 and name ca and segid B) (resid 18 and name c  and segid B)   1.0 -75.0 40.0 2


 !!    W19
 assign (resid 18 and name c  and segid B) (resid 19 and name n  and segid B) 
        (resid 19 and name ca and segid B) (resid 19 and name c  and segid B)   1.0 -60.0 30.0 2
	
  
  !!    R20
 assign (resid 19 and name c  and segid B) (resid 20 and name n  and segid B) 
        (resid 20 and name ca and segid B) (resid 20 and name c  and segid B)   1.0 -60.0 20.0 2  

 assign	(resid 20 and name n  and segid B) (resid 20 and name ca and segid B)
        (resid 20 and name c  and segid B)(resid 21 and name n  and segid B)    1.0 -40.0 30.0 2 

  !!    A21
 assign (resid 20 and name c  and segid B) (resid 21 and name n  and segid B) 
        (resid 21 and name ca and segid B) (resid 21 and name c  and segid B)   1.0 -60.0 20.0 2
 assign	(resid 21 and name n  and segid B) (resid 21 and name ca and segid B)
        (resid 21 and name c  and segid B)(resid 22 and name n  and segid B)    1.0 -40.0 30.0 2 	
 
 !!    M22
 assign (resid 21 and name c  and segid B) (resid 22 and name n  and segid B) 
        (resid 22 and name ca and segid B) (resid 22 and name c  and segid B)   1.0 -60.0 20.0 2
 
 assign	(resid 22 and name n  and segid B) (resid 22 and name ca and segid B)
        (resid 22 and name c  and segid B)(resid 23 and name n  and segid B)    1.0 -40.0 30.0 2	

  !!    A23
 assign (resid 22 and name c  and segid B) (resid 23 and name n  and segid B)
        (resid 23 and name ca and segid B) (resid 23 and name c  and segid B)   1.0 -60.0 20.0 2

 assign	(resid 23 and name n  and segid B) (resid 23 and name ca and segid B)
        (resid 23 and name c  and segid B)(resid 24 and name n  and segid B)    1.0 -40.0 30.0 2

  !!    S24
 assign (resid 23 and name c  and segid B) (resid 24 and name n  and segid B)
        (resid 24 and name ca and segid B) (resid 24 and name c  and segid B)   1.0 -60.0 20.0 2
 assign	(resid 24 and name n  and segid B) (resid 24 and name ca and segid B)
        (resid 24 and name c  and segid B)(resid 25 and name n  and segid B)    1.0 -40.0 30.0 2

  !!    D25
 assign (resid 24 and name c  and segid B) (resid 25 and name n  and segid B)
        (resid 25 and name ca and segid B) (resid 25 and name c  and segid B)   1.0 -60.0 20.0 2
assign	(resid 25 and name n  and segid B) (resid 25 and name ca and segid B)
       (resid 25 and name c  and segid B)(resid 26 and name n  and segid B)    1.0 -40.0 30.0 2

  !!F26
assign (resid 25 and name c  and segid B) (resid 26 and name n  and segid B)
        (resid 26 and name ca and segid B) (resid 26 and name c  and segid B)   1.0 -95.0 30.0 2

  !!N27
assign (resid 26 and name c  and segid B) (resid 27 and name n  and segid B)
        (resid 27 and name ca and segid B) (resid 27 and name c  and segid B)   1.0  50.0 30.0 2

assign (resid 27 and name n  and segid B) (resid 27 and name ca and segid B)
        (resid 27 and name c  and segid B)(resid 28 and name n  and segid B)     1.0 40.0 40.0 2 

  !!L28
assign (resid 27 and name c  and segid B) (resid 28 and name n  and segid B)
        (resid 28 and name ca and segid B) (resid 28 and name c  and segid B)   1.0  -110.0 25.0 2

  !!P29
assign (resid 28 and name c  and segid B) (resid 29 and name n  and segid B)
        (resid 29 and name ca and segid B) (resid 29 and name c  and segid B)   1.0  -60.0 40.0 2

  !!P30
assign (resid 29 and name c  and segid B) (resid 30 and name n  and segid B)
        (resid 30 and name ca and segid B) (resid 30 and name c  and segid B)   1.0  -50.0 40.0 2


  !!    V31
assign (resid 30 and name c  and segid B) (resid 31 and name n  and segid B)
       (resid 31 and name ca and segid B) (resid 31 and name c  and segid B)   1.0 -60.0 20.0 2

assign (resid 31 and name n  and segid B) (resid 31 and name ca and segid B)
      (resid 31 and name c  and segid B)(resid 32 and name n  and segid B)    1.0 -50.0 30.0 2

  !!    V32
assign (resid 31 and name c  and segid B) (resid 32 and name n  and segid B) 
       (resid 32 and name ca and segid B) (resid 32 and name c  and segid B)    1.0 -60.0 20.0 2

assign (resid 32 and name n  and segid B) (resid 32 and name ca and segid B)
       (resid 32 and name c  and segid B)(resid 33 and name n  and segid B)    1.0 -40.0 30.0 2
  !!    A33
 assign (resid 32 and name c  and segid B) (resid 33 and name n  and segid B)
        (resid 33 and name ca and segid B) (resid 33 and name c  and segid B)    1.0 -60.0 20.0 2

 assign (resid 33 and name n  and segid B) (resid 33 and name ca and segid B)
       (resid 33 and name c  and segid B)(resid 34 and name n  and segid B)    1.0 -40.0 30.0 2

  !!    N34
 assign (resid 33 and name c  and segid B) (resid 34 and name n  and segid B)
        (resid 34 and name ca and segid B) (resid 34 and name c  and segid B)    1.0 -60.0 20.0 2

 assign (resid 34 and name n  and segid B) (resid 34 and name ca and segid B)
       (resid 34 and name c  and segid B)(resid 35 and name n  and segid B)    1.0 -40.0 30.0 2

  !!    E35
 assign (resid 34 and name c  and segid B) (resid 35 and name n  and segid B)
        (resid 35 and name ca and segid B) (resid 35 and name c  and segid B)    1.0 -60.0 20.0 2
 assign (resid 35 and name n  and segid B) (resid 35 and name ca and segid B)
       (resid 35 and name c  and segid B)(resid 36 and name n  and segid B)    1.0 -40.0 30.0 2

  !!    I36
 assign (resid 35 and name c  and segid B) (resid 36 and name n  and segid B)
        (resid 36 and name ca and segid B) (resid 36 and name c  and segid B)    1.0 -60.0 20.0 2

 assign (resid 36 and name n  and segid B) (resid 36 and name ca and segid B)
       (resid 36 and name c  and segid B)(resid 37 and name n  and segid B)    1.0 -40.0 30.0 2

  !!    V37
 assign (resid 36 and name c  and segid B) (resid 37 and name n  and segid B) 
       (resid 37 and name ca and segid B) (resid 37 and name c  and segid B)      1.0 -60.0 20.0 2 

 assign (resid 37 and name n  and segid B) (resid 37 and name ca and segid B)
        (resid 37 and name c  and segid B)(resid 38 and name n  and segid B)    1.0 -40.0 30.0 2

 !!    V38
 assign (resid 37 and name c  and segid B) (resid 38 and name n  and segid B) 
       (resid 38 and name ca and segid B) (resid 38 and name c  and segid B)      1.0 -60.0 20.0 2 

assign (resid 38 and name n  and segid B) (resid 38 and name ca and segid B)
        (resid 38 and name c  and segid B)(resid 39 and name n  and segid B)     1.0 -40.0 60.0 2 

!!    S39
 assign (resid 38 and name c  and segid B) (resid 39 and name n  and segid B) 
       (resid 39 and name ca and segid B) (resid 39 and name c  and segid B)      1.0 -90.0 30.0 2 

!!    C40
 assign (resid 39 and name c  and segid B) (resid 40 and name n  and segid B) 
       (resid 40 and name ca and segid B) (resid 40 and name c  and segid B)      1.0 -50.0 30.0 2 
 
  !!    D41
 assign (resid 40 and name c  and segid B) (resid 41 and name n  and segid B) 
        (resid 41 and name ca and segid B) (resid 41 and name c  and segid B)    1.0 -70.0 30.0 2 

assign (resid 41 and name n  and segid B) (resid 41 and name ca and segid B)
        (resid 41 and name c  and segid B)(resid 42 and name n  and segid B)     1.0 -40.0 50.0 2 

 !!    K42
 assign (resid 41 and name c  and segid B) (resid 42 and name n  and segid B) 
        (resid 42 and name ca and segid B) (resid 42 and name c  and segid B)    1.0 -70.0 30.0 2

 !!    C43
 assign (resid 42 and name c  and segid B) (resid 43 and name n  and segid B) 
        (resid 43 and name ca and segid B) (resid 43 and name c  and segid B)    1.0 -70.0 30.0 2

 assign (resid 43 and name n  and segid B) (resid 43 and name ca and segid B)
       (resid 43 and name c  and segid B)(resid 44 and name n  and segid B)    1.0 0.0 30.0 2

  !!    Q44
 assign (resid 43 and name c  and segid B) (resid 44 and name n  and segid B)
        (resid 44 and name ca and segid B) (resid 44 and name c  and segid B)    1.0 -70.0 30.0 2

 assign (resid 44 and name n  and segid B) (resid 44 and name ca and segid B)
       (resid 44 and name c  and segid B)(resid 45 and name n  and segid B)    1.0 -80.0 40.0 2

  !!    L45
 assign (resid 44 and name c  and segid B) (resid 45 and name n  and segid B)
        (resid 45 and name ca and segid B) (resid 45 and name c  and segid B)    1.0 -80.0 30.0 2
 assign (resid 45 and name n  and segid B) (resid 45 and name ca and segid B)
       (resid 45 and name c  and segid B)(resid 46 and name n  and segid B)    1.0 145.0 30.0 2
  !!    K46
 assign (resid 45 and name c  and segid B) (resid 46 and name n  and segid B)
        (resid 46 and name ca and segid B) (resid 46 and name c  and segid B)    1.0 -90.0 30.0 2
  



!! L2
ASSIGN (RESID 2  AND NAME N   and segid A) (RESID 2  AND NAME CA  and segid A)
      (RESID 2 AND NAME CB  and segid A) (RESID 2   AND NAME CG and segid A) 1.0 -60.0 20.0 2
ASSIGN (RESID 2  AND NAME CA   and segid A) (RESID 2 AND NAME CB  and segid A)
      (RESID 2 AND NAME CG  and segid A) (RESID 2 AND NAME CD1 and segid A) 1.0 180.0 20.0 2


!! L28   
ASSIGN (RESID 28  AND NAME N   and segid A) (RESID 28 AND NAME CA  and segid A)
      (RESID 28 AND NAME CB  and segid A) (RESID 28 AND NAME CG and segid A) 1.0 -60.0 20.0 2
ASSIGN (RESID 28  AND NAME CA   and segid A) (RESID 28 AND NAME CB  and segid A)
      (RESID 28 AND NAME CG  and segid A) (RESID 28 AND NAME CD1 and segid A) 1.0 180.0 20.0 2

!! L45   
ASSIGN (RESID 45  AND NAME N   and segid A) (RESID 45 AND NAME CA  and segid A)
      (RESID 45 AND NAME CB  and segid A) (RESID 45 AND NAME CG and segid A) 1.0 -60.0 20.0 2
ASSIGN (RESID 45  AND NAME CA   and segid A) (RESID 45 AND NAME CB  and segid A)
      (RESID 45 AND NAME CG  and segid A) (RESID 45 AND NAME CD1 and segid A) 1.0 180.0 20.0 2

!! V31  
ASSIGN (RESID 31  AND NAME N   and segid A) (RESID 31 AND NAME CA  and segid A)
      (RESID 31 AND NAME CB  and segid A) (RESID 31 AND NAME CG1 and segid A) 1.0 180.0 20.0 2
!! V32  
ASSIGN (RESID 32  AND NAME N   and segid A) (RESID 32 AND NAME CA  and segid A)
      (RESID 32 AND NAME CB  and segid A) (RESID 32 AND NAME CG1 and segid A) 1.0 180.0 20.0 2
!! V37  
ASSIGN (RESID 37  AND NAME N   and segid A) (RESID 37 AND NAME CA  and segid A)
      (RESID 37 AND NAME CB  and segid A) (RESID 37 AND NAME CG1 and segid A) 1.0 180.0 20.0 2


!! I5   
ASSIGN (RESID 5  AND NAME N   and segid A) (RESID 5 AND NAME CA  and segid A)
      (RESID 5 AND NAME CB  and segid A) (RESID 5 AND NAME CG1 and segid A) 1.0 -60.0 20.0 2
ASSIGN (RESID 5  AND NAME CA   and segid A) (RESID 5 AND NAME CB  and segid A)
      (RESID 5 AND NAME CG1  and segid A) (RESID 5 AND NAME CD1 and segid A) 1.0 180.0 20.0 2
!! I36  
ASSIGN (RESID 36 AND NAME N   and segid A) (RESID 36 AND NAME CA  and segid A)
      (RESID 36 AND NAME CB  and segid A) (RESID 36 AND NAME CG1 and segid A) 1.0 -60.0 20.0 2
ASSIGN (RESID 36  AND NAME CA   and segid A) (RESID 36 AND NAME CB  and segid A)
      (RESID 36 AND NAME CG1  and segid A) (RESID 36 AND NAME CD1 and segid A) 1.0 180.0 20.0 2
!!C12
ASSIGN (RESID 12  AND NAME N   and segid A) (RESID 12 AND NAME CA  and segid A)
      (RESID 12 AND NAME CB  and segid A) (RESID 12 AND NAME SG and segid A) 1.0 180.0 30.0 2

!!H16
ASSIGN (RESID 16  AND NAME N   and segid A) (RESID 16 AND NAME CA  and segid A)
      (RESID 16 AND NAME CB  and segid A) (RESID 16 AND NAME CG and segid A) 1.0  -60.0 30.0 2

!!C40
ASSIGN (RESID 40  AND NAME N   and segid A) (RESID 40 AND NAME CA  and segid A)
      (RESID 40 AND NAME CB  and segid A) (RESID 40 AND NAME SG and segid A) 1.0 180.0 30.0 2
!!C43
ASSIGN (RESID 43  AND NAME N   and segid A) (RESID 43 AND NAME CA  and segid A)
      (RESID 43 AND NAME CB  and segid A) (RESID 43 AND NAME SG and segid A) 1.0  -60.0 30.0 2

!!F1
ASSIGN (RESID 1  AND NAME N   and segid A) (RESID 1 AND NAME CA  and segid A)
      (RESID 1 AND NAME CB  and segid A) (RESID 1 AND NAME CG and segid A) 1.0 -60.0 20.0 2
ASSIGN (RESID 1  AND NAME CA   and segid A) (RESID 1 AND NAME CB  and segid A)
      (RESID 1 AND NAME CG  and segid A) (RESID 1 AND NAME CD1 and segid A) 1.0 90 20.0 2
!!F26
ASSIGN (RESID 26  AND NAME N   and segid A) (RESID 26 AND NAME CA  and segid A)
      (RESID 26 AND NAME CB  and segid A) (RESID 26 AND NAME CG and segid A) 1.0 -60.0 20.0 2
ASSIGN (RESID 26  AND NAME CA   and segid A) (RESID 26 AND NAME CB  and segid A)
      (RESID 26 AND NAME CG  and segid A) (RESID 26 AND NAME CD1 and segid A) 1.0 90 20.0 2

!!Y15
ASSIGN (RESID 15  AND NAME N   and segid A) (RESID 15 AND NAME CA  and segid A)
      (RESID 15 AND NAME CB  and segid A) (RESID 15 AND NAME CG and segid A) 1.0 -60.0 20.0 2
ASSIGN (RESID 15  AND NAME CA   and segid A) (RESID 15 AND NAME CB  and segid A)
      (RESID 15 AND NAME CG  and segid A) (RESID 15 AND NAME CD1 and segid A) 1.0 90 20.0 2
!!W19
ASSIGN (RESID 19  AND NAME N   and segid A) (RESID 19 AND NAME CA  and segid A)
      (RESID 19 AND NAME CB  and segid A) (RESID 19 AND NAME CG and segid A) 1.0  60.0 20.0 2

!!R20
ASSIGN (RESID 20  AND NAME N   and segid A) (RESID 20 AND NAME CA  and segid A)
      (RESID 20 AND NAME CB  and segid A) (RESID 20 AND NAME CG and segid A) 1.0  -60.0 20.0 2

!! N18   
ASSIGN (RESID 18  AND NAME N   and segid A) (RESID 18 AND NAME CA  and segid A)
      (RESID 18 AND NAME CB  and segid A) (RESID 18 AND NAME CG and segid A) 1.0 -60.0 20.0 2

!! N27   
ASSIGN (RESID 27  AND NAME N   and segid A) (RESID 27 AND NAME CA  and segid A)
      (RESID 27 AND NAME CB  and segid A) (RESID 27 AND NAME Cg and segid A) 1.0 -60.0 20.0 2
!! M22   
ASSIGN (RESID 22  AND NAME N   and segid A) (RESID 22 AND NAME CA  and segid A)
      (RESID 22 AND NAME CB  and segid A) (RESID 22 AND NAME CG and segid A) 1.0 180.0 20.0 2

!! K34   
ASSIGN (RESID 34  AND NAME N   and segid A) (RESID 34 AND NAME CA  and segid A)
      (RESID 34 AND NAME CB  and segid A) (RESID 34 AND NAME CG and segid A) 1.0 -60.0 20.0 2
!! E35   
ASSIGN (RESID 35  AND NAME N   and segid A) (RESID 35 AND NAME CA  and segid A)
      (RESID 35 AND NAME CB  and segid A) (RESID 35 AND NAME CG and segid A) 1.0 180.0 20.0 2
assign (RESID 35 AND NAME CA  and segid A) (RESID 35 AND NAME CB  and segid A)
      (RESID 35 AND NAME CG and segid A)  (RESID 35 AND NAME CD  and segid A) 1.0  -60 20.0 2

!!39
ASSIGN (RESID 39  AND NAME N   and segid A) (RESID 39 AND NAME CA  and segid A)
      (RESID 39 AND NAME CB  and segid A) (RESID 39 AND NAME OG and segid A) 1.0  -60.0 20.0 2
   
!!D41
ASSIGN (RESID 41  AND NAME N   and segid A) (RESID 41 AND NAME CA  and segid A)
      (RESID 41 AND NAME CB  and segid A) (RESID 41 AND NAME CG and segid A) 1.0  -60.0 20.0 2
!!K42
ASSIGN (RESID 42  AND NAME N   and segid A) (RESID 42 AND NAME CA  and segid A)
      (RESID 42 AND NAME CB  and segid A) (RESID 42 AND NAME CG and segid A) 1.0  -60.0 20.0 2
!!Q44
assign (resid 44 and name n and segid A) (resid 44 and name ca and segid A)
       (resid 44 and name cb and segid A) (resid 44 and name cg and segid A) 1.0 180.0 20.0 2




!! L2
ASSIGN (RESID 2  AND NAME N   and segid B) (RESID 2  AND NAME CA  and segid B)
      (RESID 2 AND NAME CB  and segid B) (RESID 2   AND NAME CG and segid B) 1.0 -60.0 20.0 2
ASSIGN (RESID 2  AND NAME CA   and segid B) (RESID 2 AND NAME CB  and segid B)
      (RESID 2 AND NAME CG  and segid B) (RESID 2 AND NAME CD1 and segid B) 1.0 180.0 20.0 2


!! L28   
ASSIGN (RESID 28  AND NAME N   and segid B) (RESID 28 AND NAME CA  and segid B)
      (RESID 28 AND NAME CB  and segid B) (RESID 28 AND NAME CG and segid B) 1.0 -60.0 20.0 2
ASSIGN (RESID 28  AND NAME CA   and segid B) (RESID 28 AND NAME CB  and segid B)
      (RESID 28 AND NAME CG  and segid B) (RESID 28 AND NAME CD1 and segid B) 1.0 180.0 20.0 2

!! L45   
ASSIGN (RESID 45  AND NAME N   and segid B) (RESID 45 AND NAME CA  and segid B)
      (RESID 45 AND NAME CB  and segid B) (RESID 45 AND NAME CG and segid B) 1.0 -60.0 20.0 2
ASSIGN (RESID 45  AND NAME CA   and segid B) (RESID 45 AND NAME CB  and segid B)
      (RESID 45 AND NAME CG  and segid B) (RESID 45 AND NAME CD1 and segid B) 1.0 180.0 20.0 2

!! V31  
ASSIGN (RESID 31  AND NAME N   and segid B) (RESID 31 AND NAME CA  and segid B)
      (RESID 31 AND NAME CB  and segid B) (RESID 31 AND NAME CG1 and segid B) 1.0 180.0 20.0 2
!! V32  
ASSIGN (RESID 32  AND NAME N   and segid B) (RESID 32 AND NAME CA  and segid B)
      (RESID 32 AND NAME CB  and segid B) (RESID 32 AND NAME CG1 and segid B) 1.0 180.0 20.0 2
!! V37  
ASSIGN (RESID 37  AND NAME N   and segid B) (RESID 37 AND NAME CA  and segid B)
      (RESID 37 AND NAME CB  and segid B) (RESID 37 AND NAME CG1 and segid B) 1.0 180.0 20.0 2


!! I5   
ASSIGN (RESID 5  AND NAME N   and segid B) (RESID 5 AND NAME CA  and segid B)
      (RESID 5 AND NAME CB  and segid B) (RESID 5 AND NAME CG1 and segid B) 1.0 -60.0 20.0 2
ASSIGN (RESID 5  AND NAME CA   and segid B) (RESID 5 AND NAME CB  and segid B)
      (RESID 5 AND NAME CG1  and segid B) (RESID 5 AND NAME CD1 and segid B) 1.0 180.0 20.0 2
!! I36  
ASSIGN (RESID 36 AND NAME N   and segid B) (RESID 36 AND NAME CA  and segid B)
      (RESID 36 AND NAME CB  and segid B) (RESID 36 AND NAME CG1 and segid B) 1.0 -60.0 20.0 2
ASSIGN (RESID 36  AND NAME CA   and segid B) (RESID 36 AND NAME CB  and segid B)
      (RESID 36 AND NAME CG1  and segid B) (RESID 36 AND NAME CD1 and segid B) 1.0 180.0 20.0 2
!!C12
ASSIGN (RESID 12  AND NAME N   and segid B) (RESID 12 AND NAME CA  and segid B)
      (RESID 12 AND NAME CB  and segid B) (RESID 12 AND NAME SG and segid B) 1.0 180.0 30.0 2

!!H16
ASSIGN (RESID 16  AND NAME N   and segid B) (RESID 16 AND NAME CA  and segid B)
      (RESID 16 AND NAME CB  and segid B) (RESID 16 AND NAME CG and segid B) 1.0  -60.0 30.0 2

!!C40
ASSIGN (RESID 40  AND NAME N   and segid B) (RESID 40 AND NAME CA  and segid B)
      (RESID 40 AND NAME CB  and segid B) (RESID 40 AND NAME SG and segid B) 1.0 180.0 30.0 2
!!C43
ASSIGN (RESID 43  AND NAME N   and segid B) (RESID 43 AND NAME CA  and segid B)
      (RESID 43 AND NAME CB  and segid B) (RESID 43 AND NAME SG and segid B) 1.0  -60.0 30.0 2

!!F1
ASSIGN (RESID 1  AND NAME N   and segid B) (RESID 1 AND NAME CA  and segid B)
      (RESID 1 AND NAME CB  and segid B) (RESID 1 AND NAME CG and segid B) 1.0 -60.0 20.0 2
ASSIGN (RESID 1  AND NAME CA   and segid B) (RESID 1 AND NAME CB  and segid B)
      (RESID 1 AND NAME CG  and segid B) (RESID 1 AND NAME CD1 and segid B) 1.0 90 20.0 2
!!F26
ASSIGN (RESID 26  AND NAME N   and segid B) (RESID 26 AND NAME CA  and segid B)
      (RESID 26 AND NAME CB  and segid B) (RESID 26 AND NAME CG and segid B) 1.0 -60.0 20.0 2
ASSIGN (RESID 26  AND NAME CA   and segid B) (RESID 26 AND NAME CB  and segid B)
      (RESID 26 AND NAME CG  and segid B) (RESID 26 AND NAME CD1 and segid B) 1.0 90 20.0 2

!!Y15
ASSIGN (RESID 15  AND NAME N   and segid B) (RESID 15 AND NAME CA  and segid B)
      (RESID 15 AND NAME CB  and segid B) (RESID 15 AND NAME CG and segid B) 1.0 -60.0 20.0 2
ASSIGN (RESID 15  AND NAME CA   and segid B) (RESID 15 AND NAME CB  and segid B)
      (RESID 15 AND NAME CG  and segid B) (RESID 15 AND NAME CD1 and segid B) 1.0 90 20.0 2
!!W19
ASSIGN (RESID 19  AND NAME N   and segid B) (RESID 19 AND NAME CA  and segid B)
      (RESID 19 AND NAME CB  and segid B) (RESID 19 AND NAME CG and segid B) 1.0  60.0 20.0 2

!!R20
ASSIGN (RESID 20  AND NAME N   and segid B) (RESID 20 AND NAME CA  and segid B)
      (RESID 20 AND NAME CB  and segid B) (RESID 20 AND NAME CG and segid B) 1.0  -60.0 20.0 2

!! N18   
ASSIGN (RESID 18  AND NAME N   and segid B) (RESID 18 AND NAME CA  and segid B)
      (RESID 18 AND NAME CB  and segid B) (RESID 18 AND NAME CG and segid B) 1.0 -60.0 20.0 2

!! N27   
ASSIGN (RESID 27  AND NAME N   and segid B) (RESID 27 AND NAME CA  and segid B)
      (RESID 27 AND NAME CB  and segid B) (RESID 27 AND NAME Cg and segid B) 1.0 -60.0 20.0 2
!! M22   
ASSIGN (RESID 22  AND NAME N   and segid B) (RESID 22 AND NAME CA  and segid B)
      (RESID 22 AND NAME CB  and segid B) (RESID 22 AND NAME CG and segid B) 1.0 180.0 20.0 2

!! K34   
ASSIGN (RESID 34  AND NAME N   and segid B) (RESID 34 AND NAME CA  and segid B)
      (RESID 34 AND NAME CB  and segid B) (RESID 34 AND NAME CG and segid B) 1.0 -60.0 20.0 2
!! E35   
ASSIGN (RESID 35  AND NAME N   and segid B) (RESID 35 AND NAME CA  and segid B)
      (RESID 35 AND NAME CB  and segid B) (RESID 35 AND NAME CG and segid B) 1.0 180.0 20.0 2
assign (RESID 35 AND NAME CA  and segid B) (RESID 35 AND NAME CB  and segid B)
      (RESID 35 AND NAME CG and segid B)  (RESID 35 AND NAME CD  and segid B) 1.0  -60 20.0 2

!!39
ASSIGN (RESID 39  AND NAME N   and segid B) (RESID 39 AND NAME CA  and segid B)
      (RESID 39 AND NAME CB  and segid B) (RESID 39 AND NAME OG and segid B) 1.0  -60.0 20.0 2
   
!!D41
ASSIGN (RESID 41  AND NAME N   and segid B) (RESID 41 AND NAME CA  and segid B)
      (RESID 41 AND NAME CB  and segid B) (RESID 41 AND NAME CG and segid B) 1.0  -60.0 20.0 2
!!K42
ASSIGN (RESID 42  AND NAME N   and segid B) (RESID 42 AND NAME CA  and segid B)
      (RESID 42 AND NAME CB  and segid B) (RESID 42 AND NAME CG and segid B) 1.0  -60.0 20.0 2
!!Q44
assign (resid 44 and name n and segid B) (resid 44 and name ca and segid B)
       (resid 44 and name cb and segid B) (resid 44 and name cg and segid B) 1.0 180.0 20.0 2




assign (resid 44 and name cb and segid a) (resid 44 and name cg and segid a)
       (resid 44 and name cd and segid a) (resid 44 and name oe1 and segid a) 4.0 200.0 30.0 2

assign (resid 44 and name cb and segid b) (resid 44 and name cg and segid b)
       (resid 44 and name cd and segid b) (resid 44 and name oe1 and segid b) 4.0 20.0 30.0 2




C. THREE-BOND HNHA COUPLINGS

!D3  
assign 	(resid 2 and name c and segid A) (resid 3 and name n and segid A)
 	(resid 3 and name ca and segid A) (resid 3 and name c and segid A)  4.77 0.7
!I5  
assign 	(resid 4 and name c and segid A) (resid 5 and name n and segid A)
 	(resid 5 and name ca and segid A) (resid 5 and name c and segid A)  4.66 0.7
!D6  
assign 	(resid 5 and name c and segid A) (resid 6 and name n and segid A)
 	(resid 6 and name ca and segid A) (resid 6 and name c and segid A)  4.47 0.7
!K7  
assign 	(resid 6 and name c and segid A) (resid 7 and name n and segid A)
 	(resid 7 and name ca and segid A) (resid 7 and name c and segid A)  5.56 0.7
!A8  
assign 	(resid 7 and name c and segid A) (resid 8 and name n and segid A)
 	(resid 8 and name ca and segid A) (resid 8 and name c and segid A)  4.02 0.7
!Q9  
assign 	(resid 8 and name c and segid A) (resid 9 and name n and segid A)
 	(resid 9 and name ca and segid A) (resid 9 and name c and segid A)  4.44 0.7
!E10  
assign 	(resid 9 and name c and segid A) (resid 10 and name n and segid A)
 	(resid 10 and name ca and segid A) (resid 10 and name c and segid A)  3.93 0.7
!E11  
assign 	(resid 10 and name c and segid A) (resid 11 and name n and segid A)
 	(resid 11 and name ca and segid A) (resid 11 and name c and segid A)  8.98 0.7
!H12  
assign 	(resid 11 and name c and segid A) (resid 12 and name n and segid A)
 	(resid 12 and name ca and segid A) (resid 12 and name c and segid A)  2.00 0.7
!E13  
assign 	(resid 12 and name c and segid A) (resid 13 and name n and segid A)
 	(resid 13 and name ca and segid A) (resid 13 and name c and segid A)  4.22 0.7

!K14 
assign 	(resid 13 and name c and segid A) (resid 14 and name n and segid A)
 	(resid 14 and name ca and segid A) (resid 14 and name c and segid A)  5.34 0.7
!Y15 
assign 	(resid 14 and name c and segid A) (resid 15 and name n and segid A)
 	(resid 15 and name ca and segid A) (resid 15 and name c and segid A)  8.89 0.7
!H16 
assign 	(resid 15 and name c and segid A) (resid 16 and name n and segid A)
 	(resid 16 and name ca and segid A) (resid 16 and name c and segid A)  5.86 0.7

!S17 
assign 	(resid 16 and name c and segid A) (resid 17 and name n and segid A)
 	(resid 17 and name ca and segid A) (resid 17 and name c and segid A)  7.68 0.7


!N18  
assign 	(resid 17 and name c and segid A) (resid 18 and name n and segid A)
 	(resid 18 and name ca and segid A) (resid 18 and name c and segid A) 7.19 0.7
!W19  
assign 	(resid 18 and name c and segid A) (resid 19 and name n and segid A)
 	(resid 19 and name ca and segid A) (resid 19 and name c and segid A)  5.43 0.7
!R20  
assign 	(resid 19 and name c and segid A) (resid 20 and name n and segid A)
 	(resid 20 and name ca and segid A) (resid 20 and name c and segid A)  4.14 0.7
!A21  
assign 	(resid 20 and name c and segid A) (resid 21 and name n and segid A)
 	(resid 21 and name ca and segid A) (resid 21 and name c and segid A)  5.27 0.7
!M22  
assign 	(resid 21 and name c and segid A) (resid 22 and name n and segid A)
 	(resid 22 and name ca and segid A) (resid 22 and name c and segid A)  4.47 0.7
!A23  
assign 	(resid 22 and name c and segid A) (resid 23 and name n and segid A)
 	(resid 23 and name ca and segid A) (resid 23 and name c and segid A)  3.13 0.7
!S24  
assign 	(resid 23 and name c and segid A) (resid 24 and name n and segid A)
 	(resid 24 and name ca and segid A) (resid 24 and name c and segid A)  5.35 0.7
!D25  
assign 	(resid 24 and name c and segid A) (resid 25 and name n and segid A)
 	(resid 25 and name ca and segid A) (resid 25 and name c and segid A)  6.44 0.7
!F26 
assign 	(resid 25 and name c and segid A) (resid 26 and name n and segid A)
 	(resid 26 and name ca and segid A) (resid 26 and name c and segid A)  8.94 0.7
!N27  
assign 	(resid 26 and name c and segid A) (resid 27 and name n and segid A)
 	(resid 27 and name ca and segid A) (resid 27 and name c and segid A)  7.49 0.7
!L28  
assign 	(resid 27 and name c and segid A) (resid 28 and name n and segid A)
 	(resid 28 and name ca and segid A) (resid 28 and name c and segid A)  9.13 0.7
!V31  
assign 	(resid 30 and name c and segid A) (resid 31 and name n and segid A)
 	(resid 31 and name ca and segid A) (resid 31 and name c and segid A)  3.18 0.7
 
!A33 
assign 	(resid 32 and name c and segid A) (resid 33 and name n and segid A)
 	(resid 33 and name ca and segid A) (resid 33 and name c and segid A)  4.69 0.7
!K34  
assign 	(resid 33 and name c and segid A) (resid 34 and name n and segid A)
 	(resid 34 and name ca and segid A) (resid 34 and name c and segid A)  3.53 0.7
!E35  
assign 	(resid 34 and name c and segid A) (resid 35 and name n and segid A)
 	(resid 35 and name ca and segid A) (resid 35 and name c and segid A)  5.08 0.7
!I36  
assign 	(resid 35 and name c and segid A) (resid 36 and name n and segid A)
 	(resid 36 and name ca and segid A) (resid 36 and name c and segid A)  4.80 0.7
!V37  
assign 	(resid 36 and name c and segid A) (resid 37 and name n and segid A)
 	(resid 37 and name ca and segid A) (resid 37 and name c and segid A)  5.12 0.7

!A38  
assign 	(resid 37 and name c and segid A) (resid 38 and name n and segid A)
 	(resid 38 and name ca and segid A) (resid 38 and name c and segid A) 3.93  0.7
!S39  
assign 	(resid 38 and name c and segid A) (resid 39 and name n and segid A)
 	(resid 39 and name ca and segid A) (resid 39 and name c and segid A) 9.59  0.7
!C40  
assign 	(resid 39 and name c and segid A) (resid 40 and name n and segid A)
 	(resid 40 and name ca and segid A) (resid 40 and name c and segid A)  3.29 0.7
!D41  
assign 	(resid 40 and name c and segid A) (resid 41 and name n and segid A)
 	(resid 41 and name ca and segid A) (resid 41 and name c and segid A)  6.96 0.7
!K42  
assign 	(resid 41 and name c and segid A) (resid 42 and name n and segid A)
 	(resid 42 and name ca and segid A) (resid 42 and name c and segid A)  6.79 0.7
!C43  
assign 	(resid 42 and name c and segid A) (resid 43 and name n and segid A)
 	(resid 43 and name ca and segid A) (resid 43 and name c and segid A)  6.78 0.7
!Q44  
assign 	(resid 43 and name c and segid A) (resid 44 and name n and segid A)
 	(resid 44 and name ca and segid A) (resid 44 and name c and segid A)  5.91 0.7
!L45  
assign 	(resid 44 and name c and segid A) (resid 45 and name n and segid A)
 	(resid 45 and name ca and segid A) (resid 45 and name c and segid A)  7.42 0.7
!K46  
assign 	(resid 45 and name c and segid A) (resid 46 and name n and segid A)
 	(resid 46 and name ca and segid A) (resid 46 and name c and segid A)  6.63 0.7

!E48 
assign 	(resid 47 and name c and segid A) (resid 48 and name n and segid A)
 	(resid 48 and name ca and segid A) (resid 48 and name c and segid A)  7.44 0.7
!A49 
assign 	(resid 48 and name c and segid A) (resid 49 and name n and segid A)
 	(resid 49 and name ca and segid A) (resid 49 and name c and segid A)  5.92 0.7
!M50 
assign 	(resid 49 and name c and segid A) (resid 50 and name n and segid A)
 	(resid 50 and name ca and segid A) (resid 50 and name c and segid A)  6.55 0.7

!H51 
assign 	(resid 50 and name c and segid A) (resid 51 and name n and segid A)
 	(resid 51 and name ca and segid A) (resid 51 and name c and segid A)  7.79 0.7
!Q53 
assign 	(resid 52 and name c and segid A) (resid 53 and name n and segid A)
 	(resid 53 and name ca and segid A) (resid 53 and name c and segid A)  6.90 0.7  
!V54  
assign 	(resid 53 and name c and segid A) (resid 54 and name n and segid A)
 	(resid 54 and name ca and segid A) (resid 54 and name c and segid A)  8.82 0.7
!D55
assign  (resid 54 and name c and segid A) (resid 55 and name n and segid A)
        (resid 55 and name ca and segid A) (resid 55 and name c and segid A)  8.22 0.7



!D3  
assign 	(resid 2 and name c and segid B) (resid 3 and name n and segid B)
 	(resid 3 and name ca and segid B) (resid 3 and name c and segid B)  4.77 0.7
!I5  
assign 	(resid 4 and name c and segid B) (resid 5 and name n and segid B)
 	(resid 5 and name ca and segid B) (resid 5 and name c and segid B)  4.66 0.7
!D6  
assign 	(resid 5 and name c and segid B) (resid 6 and name n and segid B)
 	(resid 6 and name ca and segid B) (resid 6 and name c and segid B)  4.47 0.7
!K7  
assign 	(resid 6 and name c and segid B) (resid 7 and name n and segid B)
 	(resid 7 and name ca and segid B) (resid 7 and name c and segid B)  5.56 0.7
!A8  
assign 	(resid 7 and name c and segid B) (resid 8 and name n and segid B)
 	(resid 8 and name ca and segid B) (resid 8 and name c and segid B)  4.02 0.7
!Q9  
assign 	(resid 8 and name c and segid B) (resid 9 and name n and segid B)
 	(resid 9 and name ca and segid B) (resid 9 and name c and segid B)  4.44 0.7
!E10  
assign 	(resid 9 and name c and segid B) (resid 10 and name n and segid B)
 	(resid 10 and name ca and segid B) (resid 10 and name c and segid B)  3.93 0.7
!E11  
assign 	(resid 10 and name c and segid B) (resid 11 and name n and segid B)
 	(resid 11 and name ca and segid B) (resid 11 and name c and segid B)  8.98 0.7
!H12  
assign 	(resid 11 and name c and segid B) (resid 12 and name n and segid B)
 	(resid 12 and name ca and segid B) (resid 12 and name c and segid B)  2.00 0.7
!E13  
assign 	(resid 12 and name c and segid B) (resid 13 and name n and segid B)
 	(resid 13 and name ca and segid B) (resid 13 and name c and segid B)  4.22 0.7

!K14 
assign 	(resid 13 and name c and segid B) (resid 14 and name n and segid B)
 	(resid 14 and name ca and segid B) (resid 14 and name c and segid B)  5.34 0.7
!Y15 
assign	(resid 14 and name c and segid B) (resid 15 and name n and segid B)
 	(resid 15 and name ca and segid B) (resid 15 and name c and segid B)  8.89 0.7
!H16 
assign 	(resid 15 and name c and segid B) (resid 16 and name n and segid B)
 	(resid 16 and name ca and segid B) (resid 16 and name c and segid B)  5.86 0.7

!S17 
assign 	(resid 16 and name c and segid B) (resid 17 and name n and segid B)
 	(resid 17 and name ca and segid B) (resid 17 and name c and segid B)  7.68 0.7


!N18  
assign 	(resid 17 and name c and segid B) (resid 18 and name n and segid B)
 	(resid 18 and name ca and segid B) (resid 18 and name c and segid B) 7.19 0.7
!W19  
assign 	(resid 18 and name c and segid B) (resid 19 and name n and segid B)
 	(resid 19 and name ca and segid B) (resid 19 and name c and segid B)  5.43 0.7
!R20  
assign 	(resid 19 and name c and segid B) (resid 20 and name n and segid B)
 	(resid 20 and name ca and segid B) (resid 20 and name c and segid B)  4.14 0.7
!A21  
assign 	(resid 20 and name c and segid B) (resid 21 and name n and segid B)
 	(resid 21 and name ca and segid B) (resid 21 and name c and segid B)  5.27 0.7
!M22  
assign 	(resid 21 and name c and segid B) (resid 22 and name n and segid B)
 	(resid 22 and name ca and segid B) (resid 22 and name c and segid B)  4.47 0.7
!A23  
assign 	(resid 22 and name c and segid B) (resid 23 and name n and segid B)
 	(resid 23 and name ca and segid B) (resid 23 and name c and segid B)  3.13 0.7
!S24  
assign 	(resid 23 and name c and segid B) (resid 24 and name n and segid B)
 	(resid 24 and name ca and segid B) (resid 24 and name c and segid B)  5.35 0.7
!D25  
assign 	(resid 24 and name c and segid B) (resid 25 and name n and segid B)
 	(resid 25 and name ca and segid B) (resid 25 and name c and segid B)  6.44 0.7
!F26 
assign 	(resid 25 and name c and segid B) (resid 26 and name n and segid B)
 	(resid 26 and name ca and segid B) (resid 26 and name c and segid B)  8.94 0.7
!N27  
assign 	(resid 26 and name c and segid B) (resid 27 and name n and segid B)
 	(resid 27 and name ca and segid B) (resid 27 and name c and segid B)  7.49 0.7
!L28  
assign 	(resid 27 and name c and segid B) (resid 28 and name n and segid B)
 	(resid 28 and name ca and segid B) (resid 28 and name c and segid B)  9.13 0.7
!V31  
assign 	(resid 30 and name c and segid B) (resid 31 and name n and segid B)
 	(resid 31 and name ca and segid B) (resid 31 and name c and segid B)  3.18 0.7
 
!A33 
assign 	(resid 32 and name c and segid B) (resid 33 and name n and segid B)
 	(resid 33 and name ca and segid B) (resid 33 and name c and segid B)  4.69 0.7
!K34  
assign 	(resid 33 and name c and segid B) (resid 34 and name n and segid B)
 	(resid 34 and name ca and segid B) (resid 34 and name c and segid B)  3.53 0.7
!E35  
assign 	(resid 34 and name c and segid B) (resid 35 and name n and segid B)
 	(resid 35 and name ca and segid B) (resid 35 and name c and segid B)  5.08 0.7
!I36  
assign 	(resid 35 and name c and segid B) (resid 36 and name n and segid B)
 	(resid 36 and name ca and segid B) (resid 36 and name c and segid B)  4.80 0.7
!V37  
assign 	(resid 36 and name c and segid B) (resid 37 and name n and segid B)
 	(resid 37 and name ca and segid B) (resid 37 and name c and segid B)  5.12 0.7

!A38  
assign 	(resid 37 and name c and segid B) (resid 38 and name n and segid B)
 	(resid 38 and name ca and segid B) (resid 38 and name c and segid B) 3.93  0.7
!S39  
assign 	(resid 38 and name c and segid B) (resid 39 and name n and segid B)
 	(resid 39 and name ca and segid B) (resid 39 and name c and segid B) 9.59  0.7
!C40  
assign 	(resid 39 and name c and segid B) (resid 40 and name n and segid B)
 	(resid 40 and name ca and segid B) (resid 40 and name c and segid B)  3.29 0.7
!D41  
assign 	(resid 40 and name c and segid B) (resid 41 and name n and segid B)
 	(resid 41 and name ca and segid B) (resid 41 and name c and segid B)  6.96 0.7
!K42  
assign 	(resid 41 and name c and segid B) (resid 42 and name n and segid B)
 	(resid 42 and name ca and segid B) (resid 42 and name c and segid B)  6.79 0.7
!C43  
assign 	(resid 42 and name c and segid B) (resid 43 and name n and segid B)
 	(resid 43 and name ca and segid B) (resid 43 and name c and segid B)  6.78 0.7
!Q44  
assign 	(resid 43 and name c and segid B) (resid 44 and name n and segid B)
 	(resid 44 and name ca and segid B) (resid 44 and name c and segid B)  5.91 0.7
!L45  
assign 	(resid 44 and name c and segid B) (resid 45 and name n and segid B)
 	(resid 45 and name ca and segid B) (resid 45 and name c and segid B)  7.42 0.7
!K46  
assign 	(resid 45 and name c and segid B) (resid 46 and name n and segid B)
 	(resid 46 and name ca and segid B) (resid 46 and name c and segid B)  6.63 0.7

!E48 
assign 	(resid 47 and name c and segid B) (resid 48 and name n and segid B)
 	(resid 48 and name ca and segid B) (resid 48 and name c and segid B)  7.44 0.7
!A49 
assign 	(resid 48 and name c and segid B) (resid 49 and name n and segid B)
 	(resid 49 and name ca and segid B) (resid 49 and name c and segid B)  5.92 0.7
!M50 
assign 	(resid 49 and name c and segid B) (resid 50 and name n and segid B)
 	(resid 50 and name ca and segid B) (resid 50 and name c and segid B)  6.55 0.7

!H51 
assign 	(resid 50 and name c and segid B) (resid 51 and name n and segid B)
 	(resid 51 and name ca and segid B) (resid 51 and name c and segid B)  7.79 0.7
!Q53 
assign 	(resid 52 and name c and segid B) (resid 53 and name n and segid B)
 	(resid 53 and name ca and segid B) (resid 53 and name c and segid B)  6.90 0.7  
!V54  
assign 	(resid 53 and name c and segid B) (resid 54 and name n and segid B)
 	(resid 54 and name ca and segid B) (resid 54 and name c and segid B)  8.82 0.7
!D55
assign  (resid 54 and name c and segid B) (resid 55 and name n and segid B)
        (resid 55 and name ca and segid B) (resid 55 and name c and segid B)  8.22 0.7




!D. 13CALPHA and 13CBETA SHIFTS


  !!    L2
 assign (resid  1  and name c  and segid A) (resid  2  and name n  and segid A) 
        (resid  2  and name ca and segid A) (resid  2  and name c  and segid A)
	(resid  3  and name n  and segid A)  			  55.77 42.19 
  !!    D3
 assign (resid  2  and name c  and segid A) (resid  3  and name n  and segid A) 
        (resid  3  and name ca and segid A) (resid  3  and name c  and segid A)  
	(resid  4  and name n  and segid A) 			  55.88 40.69
  !!    G4
 assign (resid  3  and name c  and segid A) (resid  4  and name n  and segid A) 
        (resid  4  and name ca and segid A) (resid  4  and name c  and segid A) 
	(resid  5  and name n  and segid A) 			  46.88 0.000
  !!    I5
 assign (resid  4  and name c  and segid A) (resid  5  and name n  and segid A)
        (resid  5  and name ca and segid A) (resid  5  and name c  and segid A)
	(resid  6  and name n  and segid A)			   65.12 38.06
  !!    D6
 assign (resid  5  and name c  and segid A) (resid  6  and name n  and segid A) 
        (resid  6  and name ca and segid A) (resid  6  and name c  and segid A)
	(resid  7  and name n  and segid A)          		  56.86 39.43
  !!    K7
 assign (resid  6  and name c  and segid A) (resid  7  and name n  and segid A) 
        (resid  7  and name ca and segid A) (resid  7  and name c  and segid A)
	(resid  8  and name n  and segid A)   			  58.62 32.36
  !!    A8
 assign (resid  7  and name c  and segid A) (resid  8  and name n  and segid A)
        (resid  8  and name ca and segid A) (resid  8  and name c  and segid A)
        (resid  9  and name n  and segid A)   			  55.29 18.27
  !!    Q9
 assign (resid  8  and name c  and segid A) (resid  9  and name n  and segid A) 
        (resid  9  and name ca and segid A) (resid  9  and name c  and segid A) 
	(resid  10  and name n  and segid A)  		          59.49 29.04
  !!    E10
 assign (resid  9  and name c  and segid A) (resid  10  and name n  and segid A)
        (resid 10  and name ca and segid A) (resid  10  and name c  and segid A)
	(resid 11 and name n  and segid A)   			  59.03 29.01


  !!    E11
 assign (resid 10 and name c  and segid A) (resid 11 and name n  and segid A) 
        (resid 11 and name ca and segid A) (resid 11 and name c  and segid A) 
	(resid 12 and name n  and segid A)    			  55.34 29.20
  !!    C12
 assign (resid 11 and name c  and segid A) (resid 12 and name n  and segid A) 
        (resid 12 and name ca and segid A) (resid 12 and name c  and segid A)   
	(resid 13 and name n  and segid A)  		          60.25 40.61
  !!    E13
 assign (resid 12 and name c  and segid A) (resid 13 and name n  and segid A) 
        (resid 13 and name ca and segid A) (resid 13 and name c  and segid A)
	(resid 14 and name n  and segid A)     			  60.00 28.31
  !!    K14
 assign (resid 13 and name c  and segid A) (resid 14 and name n  and segid A) 
        (resid 14 and name ca and segid A) (resid 14 and name c  and segid A)
	(resid 15 and name n  and segid A)     			  58.02 32.05
  !!    Y15
 assign (resid 14 and name c  and segid A) (resid 15 and name n  and segid A) 
        (resid 15 and name ca and segid A) (resid 15 and name c  and segid A)
	(resid 16 and name n  and segid A)     			  60.08 38.96
  !!    H16
 assign (resid 15 and name c  and segid A) (resid 16 and name n  and segid A) 
        (resid 16 and name ca and segid A) (resid 16 and name c  and segid A) 
	(resid 17 and name n  and segid A)    			  57.67 26.90
  !!    S17
 assign (resid 16 and name c  and segid A) (resid 17 and name n  and segid A) 
        (resid 17 and name ca and segid A) (resid 17 and name c  and segid A) 
	(resid 18 and name n  and segid A)    			  59.49 62.88 
  !!    N18
 assign (resid 17 and name c  and segid A) (resid 18 and name n  and segid A) 
        (resid 18 and name ca and segid A) (resid 18 and name c  and segid A)
	(resid 19 and name n  and segid A)     			  52.01 37.08
  !!    W19
assign  (resid 18 and name c  and segid A) (resid 19 and name n  and segid A)
        (resid 19 and name ca and segid A) (resid 19 and name c  and segid A)
        (resid 20 and name n  and segid A)     			  58.24 28.27
 !!    R20
 assign (resid 19 and name c  and segid A) (resid 20 and name n  and segid A) 
        (resid 20 and name ca and segid A) (resid 20 and name c  and segid A)
	(resid 21 and name n  and segid A)     			  60.20 29.17
  !!    A21
 assign (resid 20 and name c  and segid A) (resid 21 and name n  and segid A) 
        (resid 21 and name ca and segid A) (resid 21 and name c  and segid A)
	(resid 22 and name n  and segid A)     			  54.27 18.35
  !!    M22
 assign (resid 21 and name c  and segid A) (resid 22 and name n  and segid A) 
        (resid 22 and name ca and segid A) (resid 22 and name c  and segid A)
	(resid 23 and name n  and segid A)     		          59.63 33.95
  !!    A23
 assign (resid 22 and name c  and segid A) (resid 23 and name n  and segid A)
        (resid 23 and name ca and segid A) (resid 23 and name c  and segid A)
	(resid 24 and name n  and segid A) 		          55.75 17.45
  !!    S24
 assign (resid 23 and name c  and segid A) (resid 24 and name n  and segid A)
        (resid 24 and name ca and segid A) (resid 24 and name c  and segid A)
	(resid 25 and name n  and segid A)   			  60.99 63.20
  !!    D25
 assign (resid 24 and name c  and segid A) (resid 25 and name n  and segid A)
        (resid 25 and name ca and segid A) (resid 25 and name c  and segid A)
	(resid 26 and name n  and segid A)   			  57.05 39.78
  !!    F26
 assign (resid 25 and name c  and segid A) (resid 26 and name n  and segid A) 
        (resid 26 and name ca and segid A) (resid 26 and name c  and segid A) 
	(resid 27 and name n  and segid A)    			  57.91 39.52
 !!    N27
 assign (resid 26 and name c  and segid A) (resid 27 and name n  and segid A)
        (resid 27 and name ca and segid A) (resid 27 and name c  and segid A)
	(resid 28 and name n  and segid A)     			  54.36 37.18
  !!    L28
 assign (resid 27 and name c  and segid A) (resid 28 and name n  and segid A) 
        (resid 28 and name ca and segid A) (resid 28 and name c  and segid A)
	(resid 29 and name n  and segid A)    			  51.24 44.83
 !!    P30
 assign (resid 29 and name c  and segid A) (resid 30 and name n  and segid A)
        (resid 30 and name ca and segid A) (resid 30 and name c  and segid A)
        (resid 31 and name n  and segid A)    			  66.74 32.42 
  !!    V31
assign (resid 30 and name c  and segid A) (resid 31 and name n  and segid A)
       (resid 31 and name ca and segid A) (resid 31 and name c  and segid A)
       (resid 32 and name n  and segid A)    			  65.60 31.42
  !!    V32
assign (resid 31 and name c  and segid A) (resid 32 and name n  and segid A) 
       (resid 32 and name ca and segid A) (resid 32 and name c  and segid A) 
       (resid 33 and name n  and segid A)    			  65.38 31.89
  !!    A33
 assign (resid 32 and name c  and segid A) (resid 33 and name n  and segid A)
        (resid 33 and name ca and segid A) (resid 33 and name c  and segid A)
        (resid 34 and name n  and segid A)    			  55.44 19.38
  !!    N34
 assign (resid 33 and name c  and segid A) (resid 34 and name n  and segid A)
        (resid 34 and name ca and segid A) (resid 34 and name c  and segid A)
        (resid 35 and name n  and segid A)    			  60.61 32.70
  !!    E35
 assign (resid 34 and name c  and segid A) (resid 35 and name n  and segid A)
        (resid 35 and name ca and segid A) (resid 35 and name c  and segid A)
        (resid 36 and name n  and segid A)    			  58.82 28.25
  !!    I36
 assign (resid 35 and name c  and segid A) (resid 36 and name n  and segid A)
        (resid 36 and name ca and segid A) (resid 36 and name c  and segid A)
        (resid 37 and name n  and segid A)    			  65.38 37.64
  !!    V37
 assign (resid 36 and name c  and segid A) (resid 37 and name n  and segid A) 
       (resid 37 and name ca and segid A) (resid 37 and name c  and segid A)   
 	(resid 38 and name n  and segid A)  			  66.83 31.76
  !!    A38
 assign (resid 37 and name c  and segid A) (resid 38 and name n  and segid A) 
        (resid 38 and name ca and segid A) (resid 38 and name c  and segid A) 
	(resid 39 and name n  and segid A)    			  54.92 18.46
  !!    S39
 assign (resid 38 and name c  and segid A) (resid 39 and name n  and segid A)
        (resid 39 and name ca and segid A) (resid 39 and name c  and segid A)
        (resid 40 and name n  and segid A)    			  58.61 64.21
  !!    D41
 assign (resid 40 and name c  and segid A) (resid 41 and name n  and segid A) 
        (resid 41 and name ca and segid A) (resid 41 and name c  and segid A)  
	(resid 42 and name n  and segid A)   			  55.09 39.69
  !!    K42
 assign (resid 41 and name c  and segid A) (resid 42 and name n  and segid A) 
        (resid 42 and name ca and segid A) (resid 42 and name c  and segid A) 
	(resid 43 and name n  and segid A)    			  56.93 32.97
  !!    Q44
 assign (resid 43 and name c  and segid A) (resid 44 and name n  and segid A) 
        (resid 44 and name ca and segid A) (resid 44 and name c  and segid A) 
	(resid 45 and name n  and segid A)    			  56.07 29.36
  !!    L45
 assign (resid 44 and name c  and segid A) (resid 45 and name n  and segid A) 
        (resid 45 and name ca and segid A) (resid 45 and name c  and segid A)
	(resid 46 and name n  and segid A)     			  55.43 42.28
  !!    K46
 assign (resid 45 and name c  and segid A) (resid 46 and name n  and segid A) 
        (resid 46 and name ca and segid A) (resid 46 and name c  and segid A)
	(resid 47 and name n  and segid A)     			  56.67 33.02
  !!    G47
 assign (resid 46 and name c  and segid A) (resid 47 and name n  and segid A) 
        (resid 47 and name ca and segid A) (resid 47 and name c  and segid A)
	(resid 48 and name n  and segid A)     			  45.63 0.000
  !!    E48
 assign (resid 47 and name c  and segid A) (resid 48 and name n  and segid A) 
        (resid 48 and name ca and segid A) (resid 48 and name c  and segid A)
	(resid 49 and name n  and segid A)     			  56.44 29.82
  !!    A49
 assign (resid 48 and name c  and segid A) (resid 49 and name n  and segid A) 
        (resid 49 and name ca and segid A) (resid 49 and name c  and segid A) 
	(resid 50 and name n  and segid A)    			  52.75 19.25
  !!    M50
 assign (resid 49 and name c  and segid A) (resid 50 and name n  and segid A) 
        (resid 50 and name ca and segid A) (resid 50 and name c  and segid A)
	(resid 51 and name n  and segid A)     			  55.67 32.74
  !!    H51
 assign (resid 50 and name c  and segid A) (resid 51 and name n  and segid A) 
        (resid 51 and name ca and segid A) (resid 51 and name c  and segid A)
	(resid 52 and name n  and segid A)     			  54.46 29.11
  !!    G52
 assign (resid 51 and name c  and segid A) (resid 52 and name n  and segid A) 
        (resid 52 and name ca and segid A) (resid 52 and name c  and segid A) 
	(resid 53 and name n  and segid A)    			  45.39 0.00
  !!    Q53
 assign (resid 52 and name c  and segid A) (resid 53 and name n  and segid A) 
        (resid 53 and name ca and segid A) (resid 53 and name c  and segid A) 
	(resid 54 and name n  and segid A)    			  55.88 29.71
  !!    V54
 assign (resid 53 and name c  and segid A) (resid 54 and name n  and segid A)
        (resid 54 and name ca and segid A) (resid 54 and name c  and segid A)
	(resid 55 and name n  and segid A)     			  62.25 33.05

  !!    L2
 assign (resid  1  and name c  and segid B) (resid  2  and name n  and segid B) 
        (resid  2  and name ca and segid B) (resid  2  and name c  and segid B)
	(resid  3  and name n  and segid B)  			  55.77 42.19 
  !!    D3
 assign (resid  2  and name c  and segid B) (resid  3  and name n  and segid B) 
        (resid  3  and name ca and segid B) (resid  3  and name c  and segid B)  
	(resid  4  and name n  and segid B) 			  55.88 40.69
  !!    G4
 assign (resid  3  and name c  and segid B) (resid  4  and name n  and segid B) 
        (resid  4  and name ca and segid B) (resid  4  and name c  and segid B) 
	(resid  5  and name n  and segid B) 			  46.88 0.000
  !!    I5
 assign (resid  4  and name c  and segid B) (resid  5  and name n  and segid B)
        (resid  5  and name ca and segid B) (resid  5  and name c  and segid B)
	(resid  6  and name n  and segid B)			   65.12 38.06
  !!    D6
 assign (resid  5  and name c  and segid B) (resid  6  and name n  and segid B) 
        (resid  6  and name ca and segid B) (resid  6  and name c  and segid B)
	(resid  7  and name n  and segid B)          		  56.86 39.43
  !!    K7
 assign (resid  6  and name c  and segid B) (resid  7  and name n  and segid B) 
        (resid  7  and name ca and segid B) (resid  7  and name c  and segid B)
	(resid  8  and name n  and segid B)   			  58.62 32.36
  !!    A8
 assign (resid  7  and name c  and segid B) (resid  8  and name n  and segid B)
        (resid  8  and name ca and segid B) (resid  8  and name c  and segid B)
        (resid  9  and name n  and segid B)   			  55.29 18.27
  !!    Q9
 assign (resid  8  and name c  and segid B) (resid  9  and name n  and segid B) 
        (resid  9  and name ca and segid B) (resid  9  and name c  and segid B) 
	(resid  10  and name n  and segid B)  		          59.49 29.04
  !!    E10
 assign (resid  9  and name c  and segid B) (resid  10  and name n  and segid B)
        (resid 10  and name ca and segid B) (resid  10  and name c  and segid B)
	(resid 11 and name n  and segid B)   			  59.03 29.01


  !!    E11
 assign (resid 10 and name c  and segid B) (resid 11 and name n  and segid B) 
        (resid 11 and name ca and segid B) (resid 11 and name c  and segid B) 
	(resid 12 and name n  and segid B)    			  55.34 29.20
  !!    C12
 assign (resid 11 and name c  and segid B) (resid 12 and name n  and segid B) 
        (resid 12 and name ca and segid B) (resid 12 and name c  and segid B)   
	(resid 13 and name n  and segid B)  		          60.25 40.61
  !!    E13
 assign (resid 12 and name c  and segid B) (resid 13 and name n  and segid B) 
        (resid 13 and name ca and segid B) (resid 13 and name c  and segid B)
	(resid 14 and name n  and segid B)     			  60.00 28.31
  !!    K14
 assign (resid 13 and name c  and segid B) (resid 14 and name n  and segid B) 
        (resid 14 and name ca and segid B) (resid 14 and name c  and segid B)
	(resid 15 and name n  and segid B)     			  58.02 32.05
  !!    Y15
 assign (resid 14 and name c  and segid B) (resid 15 and name n  and segid B) 
        (resid 15 and name ca and segid B) (resid 15 and name c  and segid B)
	(resid 16 and name n  and segid B)     			  60.08 38.96
  !!    H16
 assign (resid 15 and name c  and segid B) (resid 16 and name n  and segid B) 
        (resid 16 and name ca and segid B) (resid 16 and name c  and segid B) 
	(resid 17 and name n  and segid B)    			  57.67 26.90
  !!    S17
 assign (resid 16 and name c  and segid B) (resid 17 and name n  and segid B) 
        (resid 17 and name ca and segid B) (resid 17 and name c  and segid B) 
	(resid 18 and name n  and segid B)    			  59.49 62.88 
  !!    N18
 assign (resid 17 and name c  and segid B) (resid 18 and name n  and segid B) 
        (resid 18 and name ca and segid B) (resid 18 and name c  and segid B)
	(resid 19 and name n  and segid B)     			  52.01 37.08
  !!    W19
assign  (resid 18 and name c  and segid B) (resid 19 and name n  and segid B)
        (resid 19 and name ca and segid B) (resid 19 and name c  and segid B)
        (resid 20 and name n  and segid B)     			  58.24 28.27
 !!    R20
 assign (resid 19 and name c  and segid B) (resid 20 and name n  and segid B) 
        (resid 20 and name ca and segid B) (resid 20 and name c  and segid B)
	(resid 21 and name n  and segid B)     			  60.20 29.17
  !!    A21
 assign (resid 20 and name c  and segid B) (resid 21 and name n  and segid B) 
        (resid 21 and name ca and segid B) (resid 21 and name c  and segid B)
	(resid 22 and name n  and segid B)     			  54.27 18.35
  !!    M22
 assign (resid 21 and name c  and segid B) (resid 22 and name n  and segid B) 
        (resid 22 and name ca and segid B) (resid 22 and name c  and segid B)
	(resid 23 and name n  and segid B)     		          59.63 33.95
  !!    A23
 assign (resid 22 and name c  and segid B) (resid 23 and name n  and segid B)
        (resid 23 and name ca and segid B) (resid 23 and name c  and segid B)
	(resid 24 and name n  and segid B) 		          55.75 17.45
  !!    S24
 assign (resid 23 and name c  and segid B) (resid 24 and name n  and segid B)
        (resid 24 and name ca and segid B) (resid 24 and name c  and segid B)
	(resid 25 and name n  and segid B)   			  60.99 63.20
  !!    D25
 assign (resid 24 and name c  and segid B) (resid 25 and name n  and segid B)
        (resid 25 and name ca and segid B) (resid 25 and name c  and segid B)
	(resid 26 and name n  and segid B)   			  57.05 39.78
  !!    F26
 assign (resid 25 and name c  and segid B) (resid 26 and name n  and segid B) 
        (resid 26 and name ca and segid B) (resid 26 and name c  and segid B) 
	(resid 27 and name n  and segid B)    			  57.91 39.52
 !!    N27
 assign (resid 26 and name c  and segid B) (resid 27 and name n  and segid B)
        (resid 27 and name ca and segid B) (resid 27 and name c  and segid B)
	(resid 28 and name n  and segid B)     			  54.36 37.18
  !!    L28
 assign (resid 27 and name c  and segid B) (resid 28 and name n  and segid B) 
        (resid 28 and name ca and segid B) (resid 28 and name c  and segid B)
	(resid 29 and name n  and segid B)    			  51.24 44.83
 !!    P30
 assign (resid 29 and name c  and segid B) (resid 30 and name n  and segid B)
        (resid 30 and name ca and segid B) (resid 30 and name c  and segid B)
        (resid 31 and name n  and segid B)    			  66.74 32.42 
  !!    V31
assign (resid 30 and name c  and segid B) (resid 31 and name n  and segid B)
       (resid 31 and name ca and segid B) (resid 31 and name c  and segid B)
       (resid 32 and name n  and segid B)    			  65.60 31.42
  !!    V32
assign (resid 31 and name c  and segid B) (resid 32 and name n  and segid B) 
       (resid 32 and name ca and segid B) (resid 32 and name c  and segid B) 
       (resid 33 and name n  and segid B)    			  65.38 31.89
  !!    A33
 assign (resid 32 and name c  and segid B) (resid 33 and name n  and segid B)
        (resid 33 and name ca and segid B) (resid 33 and name c  and segid B)
        (resid 34 and name n  and segid B)    			  55.44 19.38
  !!    N34
 assign (resid 33 and name c  and segid B) (resid 34 and name n  and segid B)
        (resid 34 and name ca and segid B) (resid 34 and name c  and segid B)
        (resid 35 and name n  and segid B)    			  60.61 32.70
  !!    E35
 assign (resid 34 and name c  and segid B) (resid 35 and name n  and segid B)
        (resid 35 and name ca and segid B) (resid 35 and name c  and segid B)
        (resid 36 and name n  and segid B)    			  58.82 28.25
  !!    I36
 assign (resid 35 and name c  and segid B) (resid 36 and name n  and segid B)
        (resid 36 and name ca and segid B) (resid 36 and name c  and segid B)
        (resid 37 and name n  and segid B)    			  65.38 37.64
  !!    V37
 assign (resid 36 and name c  and segid B) (resid 37 and name n  and segid B) 
       (resid 37 and name ca and segid B) (resid 37 and name c  and segid B)   
 	(resid 38 and name n  and segid B)  			  66.83 31.76
  !!    A38
 assign (resid 37 and name c  and segid B) (resid 38 and name n  and segid B) 
        (resid 38 and name ca and segid B) (resid 38 and name c  and segid B) 
	(resid 39 and name n  and segid B)    			  54.92 18.46
  !!    S39
 assign (resid 38 and name c  and segid B) (resid 39 and name n  and segid B)
        (resid 39 and name ca and segid B) (resid 39 and name c  and segid B)
        (resid 40 and name n  and segid B)    			  58.61 64.21
  !!    D41
 assign (resid 40 and name c  and segid B) (resid 41 and name n  and segid B) 
        (resid 41 and name ca and segid B) (resid 41 and name c  and segid B)  
	(resid 42 and name n  and segid B)   			  55.09 39.69
  !!    K42
 assign (resid 41 and name c  and segid B) (resid 42 and name n  and segid B) 
        (resid 42 and name ca and segid B) (resid 42 and name c  and segid B) 
	(resid 43 and name n  and segid B)    			  56.93 32.97
  !!    Q44
 assign (resid 43 and name c  and segid B) (resid 44 and name n  and segid B) 
        (resid 44 and name ca and segid B) (resid 44 and name c  and segid B) 
	(resid 45 and name n  and segid B)    			  56.07 29.36
  !!    L45
 assign (resid 44 and name c  and segid B) (resid 45 and name n  and segid B) 
        (resid 45 and name ca and segid B) (resid 45 and name c  and segid B)
	(resid 46 and name n  and segid B)     			  55.43 42.28
  !!    K46
 assign (resid 45 and name c  and segid B) (resid 46 and name n  and segid B) 
        (resid 46 and name ca and segid B) (resid 46 and name c  and segid B)
	(resid 47 and name n  and segid B)     			  56.67 33.02
  !!    G47
 assign (resid 46 and name c  and segid B) (resid 47 and name n  and segid B) 
        (resid 47 and name ca and segid B) (resid 47 and name c  and segid B)
	(resid 48 and name n  and segid B)     			  45.63 0.000
  !!    E48
 assign (resid 47 and name c  and segid B) (resid 48 and name n  and segid B) 
        (resid 48 and name ca and segid B) (resid 48 and name c  and segid B)
	(resid 49 and name n  and segid B)     			  56.44 29.82
  !!    A49
 assign (resid 48 and name c  and segid B) (resid 49 and name n  and segid B) 
        (resid 49 and name ca and segid B) (resid 49 and name c  and segid B) 
	(resid 50 and name n  and segid B)    			  52.75 19.25
  !!    M50
 assign (resid 49 and name c  and segid B) (resid 50 and name n  and segid B) 
        (resid 50 and name ca and segid B) (resid 50 and name c  and segid B)
	(resid 51 and name n  and segid B)     			  55.67 32.74
  !!    H51
 assign (resid 50 and name c  and segid B) (resid 51 and name n  and segid B) 
        (resid 51 and name ca and segid B) (resid 51 and name c  and segid B)
	(resid 52 and name n  and segid B)     			  54.46 29.11
  !!    G52
 assign (resid 51 and name c  and segid B) (resid 52 and name n  and segid B) 
        (resid 52 and name ca and segid B) (resid 52 and name c  and segid B) 
	(resid 53 and name n  and segid B)    			  45.39 0.00
  !!    Q53
 assign (resid 52 and name c  and segid B) (resid 53 and name n  and segid B) 
        (resid 53 and name ca and segid B) (resid 53 and name c  and segid B) 
	(resid 54 and name n  and segid B)    			  55.88 29.71
  !!    V54
 assign (resid 53 and name c  and segid B) (resid 54 and name n  and segid B)
        (resid 54 and name ca and segid B) (resid 54 and name c  and segid B)
	(resid 55 and name n  and segid B)     			  62.25 33.05





!E. 1H, 15N and 13C ASSIGNMENTS





RES_ID		1
RES_TYPE	PHE
PREV_TYPE	MET(100.0)  
SPIN_SYSTEM_ID	100
HETEROGENEITY	100
   HN  8.382
   N  120.930
   HA  4.706
   CA  58.1682
   HB1|HB2  3.154  
   CB  39.3752 
   HD1|HD2  7.266
   CD1|CD2  132.018
END_RES_DEF

RES_ID		2
RES_TYPE	LEU  
PREV_TYPE	PHE  
SPIN_SYSTEM_ID	10
HETEROGENEITY	100
   HN  8.0950 
   N  122.1225  
   HA  4.232
   CA  55.7735
   HB1|HB2  1.561
   HB2|HB1  1.516  
   CB  42.1927  
   HG  1.525
   CG  26.9906 
   HD1#|HD2#  0.856
   CD1|CD2  25.4893
   HD2#|HD1#  0.787  
   CD2|CD1  23.7784
   C  177.29 
END_RES_DEF

RES_ID		3
RES_TYPE	ASP
PREV_TYPE	LEU(100.0)  
SPIN_SYSTEM_ID	18
HETEROGENEITY	100
   HN  8.2943  
   N  120.0100
   HA  4.528  
   CA  55.8864
   HB1|HB2  2.785 
   CB  29.7182 
   C  177.30
END_RES_DEF

RES_ID		4
RES_TYPE	GLY
PREV_TYPE	ASP  
SPIN_SYSTEM_ID	48
HETEROGENEITY	100
   HN  8.4259  
   N  108.0920 
   HA1|HA2  4.014
   HA2|HA1  4.085
   CA  46.8796a
   C  174.60  
END_RES_DEF

RES_ID		5
RES_TYPE	ILE
PREV_TYPE	GLY(100.0)  
SPIN_SYSTEM_ID	27
HETEROGENEITY	100
   HN  7.7682  
   N  119.3300 
   HA  3.482
   CA  65.1175  
   HB  1.770
   CB  38.0633 
   HG11|HG12  1.530 
   CG1  29.5224 
   HG2#  0.785
   CG2  17.1538
   HD1#  0.788 
   CD1  14.1000a
   C  176.67
END_RES_DEF

RES_ID		6
RES_TYPE	ASP
PREV_TYPE	ILE(100.0)  
SPIN_SYSTEM_ID	24
HETEROGENEITY	100
   HN  8.0195  
   N  118.4558 
   HA  4.343 
   CA  56.8587
   HB1|HB2  2.736  
   CB  39.4295  
   C  178.43
END_RES_DEF

RES_ID		7
RES_TYPE	LYS
PREV_TYPE	ASP(25.3)  
SPIN_SYSTEM_ID	26
HETEROGENEITY	100
   HN  7.8136  
   N  120.4589  
   HA  3.960
   CA  58.6271
   HB1|HB2  1.723
   HB2|HB1  1.769 
   CB  32.3647
   HG1|HG2  1.530
   CG  25.4098  
   HD1|HD2  1.702
   CD  28.9479  
   HE1|HE2  3.046  
   CE  42.1481 a
   C  177.42
END_RES_DEF

RES_ID		8
RES_TYPE	ALA
PREV_TYPE	LYS(35.4)    
SPIN_SYSTEM_ID	28
HETEROGENEITY	100
   HN  7.6285  
   N  121.5946  
   HA  2.933
   CA  55.2944  
   HB#  0.776
   CB  18.2751  
   C  179.16
END_RES_DEF

RES_ID		9
RES_TYPE	GLN
PREV_TYPE	ALA(100.0)  
SPIN_SYSTEM_ID	45
HETEROGENEITY	100
   HN  7.8662   
   N  113.1224 
   HA  3.643 
   CA  59.4923
   HB1|HB2  2.153
   HB2|HB1  2.040 
   CB  29.0395  
   HG1|HG2  2.485
   CG  34.7736  
   HE21|HE22  7.119
   HE22|HE21  6.773
   NE2  110.455
   C  179.69
END_RES_DEF

RES_ID		10
RES_TYPE	GLU
PREV_TYPE	GLN(15.4)    
SPIN_SYSTEM_ID	25
HETEROGENEITY	100
   HN  7.8477  
   N  118.9647
   HA  4.072
   CA  59.0300  
   HB1|HB2  2.249
   CB  29.0100 
   HG1|HG2  2.577
   HG2|HG1  2.453 
   CG  34.6765  
   C  178.45
END_RES_DEF

RES_ID		11
RES_TYPE	GLU
PREV_TYPE	GLU(24.4)   
SPIN_SYSTEM_ID	37
HETEROGENEITY	100
   HN  7.8407  
   N  115.8280 
   HA  4.709
   CA  55.3425
   HB1|HB2  1.981
   HB2|HB1  2.323  
   CB  29.2040 
   HG1|HG2  2.691
   HG2|HG1  2.527 
   CG  34.3674 
   C  177.76
END_RES_DEF

RES_ID		12
RES_TYPE	CYS
PREV_TYPE	GLU(15.3) 
SPIN_SYSTEM_ID	34
HETEROGENEITY	100
   HN  7.2382  
   N  116.8600 
   HA  4.216
   CA  60.2554 
   HB1|HB2  2.963
   HB2|HB1  3.467
   CB  40.6140  
   C  176.96
END_RES_DEF

RES_ID		13
RES_TYPE	GLU
PREV_TYPE	CYS(100.0)  
SPIN_SYSTEM_ID	1
HETEROGENEITY	100
   HN  9.1385  
   N  124.4163 
   HA  4.047 
   CA  59.9990  
   HB1|HB2  2.064
   CB  28.3061  
   HG1|HG2  2.483
   CG  34.7521  
   C  178.60
END_RES_DEF

RES_ID		14
RES_TYPE	LYS
PREV_TYPE	GLU(19.7)    
SPIN_SYSTEM_ID	36
HETEROGENEITY	100
   HN  7.7833  
   N  116.5581 
   HA  3.946
   CA  58.0156 
   HB1|HB2  1.727
   CB  32.0564 
   HG1|HG2  1.13
   CG  24.7565
   HD1|HD2  1.61
   CD  29.6931 
   HE1|HE2  2.870
   CE  42.4966  
   C  177.27
END_RES_DEF

RES_ID		15
RES_TYPE	TYR
PREV_TYPE	LYS(25.4)  
SPIN_SYSTEM_ID	38
HETEROGENEITY	100
   HN  7.3687 
   N  114.6992  
   HA  4.181
   CA  60.0824 
   HB1|HB2  3.203
   HB2|HB1  2.656
   CB  38.9638 
   HD1|HD2  7.240 
   CD1|CD2  133.777
   HE1|HE2  6.781
   CE1|CE2  117.631
   C  176.57
END_RES_DEF

RES_ID		16
RES_TYPE	HIH(21.8)    
PREV_TYPE	TYR(31.8)  
SPIN_SYSTEM_ID	35
HETEROGENEITY	100
   HN  7.5760  
   N  116.7558 
   HA  4.379 
   CA  57.6763 
   HB1|HB2  3.460
   CB  26.8978  
   C  174.56
END_RES_DEF

RES_ID		17
RES_TYPE	SER
PREV_TYPE	HIH(22.1)    
SPIN_SYSTEM_ID	43
HETEROGENEITY	100
   HN  8.6909 
   N  112.6252 
   HA  4.445
   CA  59.4884  
   HB1|HB2  4.181
   CB  62.8864  
   C  174.39
END_RES_DEF

RES_ID		18
RES_TYPE	ASN
PREV_TYPE	SER(100.0)  
SPIN_SYSTEM_ID	19
HETEROGENEITY	100
   HN  8.5107  
   N  121.0777 
   HA  4.890 
   CA  52.0130  
   HB1|HB2  3.582
   HB2|HB1  2.836
   CB  37.0868 
   HD21|HD22  7.696
   HD22|HD21  6.896
   ND2  111.625
   C  174.68
END_RES_DEF

RES_ID		19
RES_TYPE	TRP
PREV_TYPE	ASN(64.0)    
SPIN_SYSTEM_ID	8
HETEROGENEITY	100
   HN  7.8616  
   N  122.4726  
   HA  4.197
   CA  58.2355  
   HB1|HB2  3.201
   HB2|HB1  2.983
   CB  28.2748
   HD1  7.549
   CD1  128.149
   HZ2  7.545
   CZ2  115.110
   HE3  7.204
   CE3  120.256
   HH2  7.238
   CH2  124.964
   HZ3  7.017
   CZ3  122.10
   HE1  10.375
   NE1  130.03  
   C  177.62
END_RES_DEF

RES_ID		20
RES_TYPE	ARG
PREV_TYPE	TRP(8.4) 
SPIN_SYSTEM_ID	3
HETEROGENEITY	100
   HN  7.4376  
   N  124.5711 
   HA  3.461
   CA  60.1994  
   HB1|HB2  1.349
   HB2|HB1  1.030
   CB  29.1700  
   HG1|HG2  0.267
   HG2|HG1  0.602
   CG  27.1361 
   HD1|HD2  2.773
   HD2|HD1  2.856 
   CD  43.0187 
   C  179.25
END_RES_DEF

RES_ID		21
RES_TYPE	ALA
PREV_TYPE	ARG(16.1)  
SPIN_SYSTEM_ID	6
HETEROGENEITY	100
   HN  7.2904 
   N  122.0817 
   HA  4.163 
   CA  54.2677  
   HB#  1.556
   CB  18.3558  
   C  178.73
END_RES_DEF

RES_ID		22
RES_TYPE	MET
PREV_TYPE	ALA(100.0)  
SPIN_SYSTEM_ID	33
HETEROGENEITY	100
   HN  6.9537 
   N  117.7649
   HA  3.270
   CA  59.6289 
   HB1|HB2  1.660
   HB2|HB1  1.365 
   CB  33.9535  
   HG1|HG2  1.920
   HG2|HG1  1.783
   CG  31.7755  
   C 177.50
END_RES_DEF

RES_ID		23
RES_TYPE	ALA
PREV_TYPE	MET(6.7)  
SPIN_SYSTEM_ID	20
HETEROGENEITY	100
   HN  8.6552  
   N  120.1098
   HA  3.922  
   CA  55.7539  
   HB#  1.656
   CB  17.4528  
   179.83
END_RES_DEF

RES_ID		24
RES_TYPE	SER
PREV_TYPE	ALA(100.0)  
SPIN_SYSTEM_ID	50
HETEROGENEITY	100
   HN  7.6503  
   N  110.1064 
   HA  4.327 
   CA  60.9892  
   HB1|HB2  3.952
   CB  63.1969  
   C  177.31
END_RES_DEF

RES_ID		25
RES_TYPE	ASP  
PREV_TYPE	SER(100.0)  
SPIN_SYSTEM_ID	65
HETEROGENEITY	100
   HN  8.5728  
   N  120.8020  
   HA  4.222
   CA  57.0591 
   HB1|HB2  2.530
   HB2|HB1  1.962
   CB  39.7872  
   C  177.90
END_RES_DEF

RES_ID		26
RES_TYPE	PHE(37.7)   
PREV_TYPE	ASP(32.4)    
SPIN_SYSTEM_ID	52
HETEROGENEITY	100
   HN  7.6926 
   N  112.6738
   HA  4.646  
   CA  57.9102  
   HB1|HB2  2.438
   HB2|HB1  3.282
   CB  39.5237 
   HD1|HD2  7.302
   CD1|CD2  131.983
   HE1|HE2  6.745
   HZ  6.944 
   C  173.99
END_RES_DEF

RES_ID		27
RES_TYPE	ASN(58.1)  
PREV_TYPE	PHE(38.4)   
SPIN_SYSTEM_ID	30
HETEROGENEITY	100
   HN  7.6220  
   N  118.9671 
   HA  4.471
   CA  54.3618  
   HB1|HB2  3.168
   HB2|HB1  2.709
   CB  37.1756  
   HD21|HD22  7.512
   HD22|HD21  6.776
   ND2  111.805
   C  174.348
END_RES_DEF

RES_ID		28
RES_TYPE	LEU
PREV_TYPE	ASN(57.9)   
SPIN_SYSTEM_ID	40
HETEROGENEITY	100
   HN  8.5005 
   N  116.2220 
   HA  4.921
   CA  51.2390 
   HB1|HB2  1.345
   HB2|HB1  1.213 
   CB  44.8316 
   HG  1.570 
   CG  26.174
   HD1#|HD2#  0.725
   CD1|CD2  23.285
   HD2#|HD1#  0.482
   CD2|CD1  26.00
END_RES_DEF

RES_ID          29
RES_TYPE        PRO
PREV_TYPE       PRO(100.0)
SPIN_SYSTEM_ID  102
HETEROGENEITY   100
   HA  4.855
   CA  61.05
   HB1|HB2  2.615
   HB2|HB1  2.183
   CB  31.90
   HG1|HG2  2.190
   HG2|HG1  2.250
   CG  27.97
   HD1|HD2  3.941
   HD2|HD1  4.044
   CD  50.82
END_RES_DEF

RES_ID		30
RES_TYPE	PRO
PREV_TYPE	PRO(100.0)  
SPIN_SYSTEM_ID	101
HETEROGENEITY	100
   HA  4.012
   CA  66.7449  
   HB1|HB2  2.00
   HB2|HB1  2.32
   CB  32.4221
   HG1|HG2  2.100  
   CD  50.9378
   HD1|HD2  3.993
   HD2|HD1  4.037
   CG  27.7766  
   C  177.23
END_RES_DEF

RES_ID		31
RES_TYPE	VAL
PREV_TYPE	PRO(58.6)  
SPIN_SYSTEM_ID	44
HETEROGENEITY	100
   HN  8.1946  
   N  112.6685  
   HA  3.552
   CA  65.5995  
   HB  2.053
   CB  31.4301  
   HG1#|HG2#  0.907
   CG1|CG2  21.0767  
   HG2#|HG1#  0.907
   CG2|CG1  22.2487  
   C  177.21
END_RES_DEF

RES_ID		32
RES_TYPE	VAL
PREV_TYPE	VAL(47.7)  
SPIN_SYSTEM_ID	32
HETEROGENEITY	100
   HN  6.9603 
   N  120.1255 
   HA  3.700
   CA  65.3800  
   HB  2.071
   CB  31.8900  
   HG1#|HG2#  0.951
   CG1|CG2  21.8895  
   HG2#|HG1#  0.951
   CG2|CG1  22.8354  
   C  177.40
END_RES_DEF

RES_ID		33
RES_TYPE	ALA
PREV_TYPE	VAL(56.0)  PRO(44.0)  
SPIN_SYSTEM_ID	29
HETEROGENEITY	100
   HN  7.5781  
   N  121.0826  
   HA  3.911
   CA  55.4434  
   HB#  1.586
   CB  19.3770  
   C  178.65
END_RES_DEF

RES_ID		34
RES_TYPE	LYS
PREV_TYPE	ALA(100.0)  
SPIN_SYSTEM_ID	41
HETEROGENEITY	100
   HN  8.4728  
   N  115.2281  
   HA  3.547
   CA  60.6124  
   HB1|HB2  1.239 
   HB2|HB1  1.434
   CB  32.6967  
   HG1|HG2  0.491
   HG2|HG1  0.193
   CG  25.5737  
   HD1|HD2  0.776
   HD2|HD1  0.927
   CD  29.5164  
   HE1|HE2  1.576
   HE1|HE2  1.677
   CE  41.1521  
   C  179.20
END_RES_DEF

RES_ID		35
RES_TYPE	GLU
PREV_TYPE	LYS(28.1)  
SPIN_SYSTEM_ID	31
HETEROGENEITY	100
   HN  7.3227  
   N  119.1395  
   HA  4.047
   CA  58.8170  
   HB2|HB1  2.178
   HB1|HB2  2.070
   CB  28.2522
   HG1|HG2  2.485
   HG2|HG1  2.313
   CG  33.9640  
   C  178.92
END_RES_DEF

RES_ID		36
RES_TYPE	ILE
PREV_TYPE	GLU(100.0)  
SPIN_SYSTEM_ID	54
HETEROGENEITY	100
   HN  8.1640  
   N  121.8900 
   HA  3.634
   CA  65.3800 
   HB  1.910
   CB  37.6400
   HG11|HG12  
   HG11|HG12  1.836
   CG1  28.7939 
   HG2#  0.641 
   CG2  18.0097
   HD1#  0.659  
   CD1  14.9600
   C  179.49
END_RES_DEF

RES_ID		37
RES_TYPE	VAL
PREV_TYPE	ILE(100.0)  
SPIN_SYSTEM_ID	39
HETEROGENEITY	100
   HN  8.1976  
   N  117.6068  
   HA  3.842
   CA  66.8365  
   HB  2.300
   CB  31.7588  
   HG1#|HG2#  1.163
   CG1|CG2  22.2811  
   HG2#|HG1#  1.098
   C  177.42
END_RES_DEF

RES_ID		38
RES_TYPE	ALA
PREV_TYPE	VAL(37.5)  
SPIN_SYSTEM_ID	11
HETEROGENEITY	100
   HN  8.0270  
   N  121.5629 
   HA  4.196 
   CA  54.9229  
   HB#  1.493
   CB  18.4675  
   C  179.56
END_RES_DEF

RES_ID		39
RES_TYPE	SER
PREV_TYPE	ALA(100.0)  
SPIN_SYSTEM_ID	69
HETEROGENEITY	100
   HN  7.6531  
   N  110.4255  
   HA  4.515
   CA  58.6136 
   HB1|HB2  3.992
   CB  64.2116  
   C  174.55
END_RES_DEF

RES_ID		40
RES_TYPE	CYS
PREV_TYPE	SER(100.0)  
SPIN_SYSTEM_ID	7
HETEROGENEITY	100
   HN  7.4582  
   N  122.0432  
   HA  4.447
   CA  57.6567  
   HB1|HB2  3.344
   HB2|HB1  3.160
   CB  39.9656 
   C  175.23
END_RES_DEF

RES_ID		41
RES_TYPE	ASP
PREV_TYPEE	CYS  
SPIN_SYSTEM_ID	5
HETEROGENEITY	100
   HN  8.7722  
   N  122.3169  
   HA  4.587
   CA  55.0914  
   HB1|HB2  2.849
   CB  39.6894 
   C  176.20
END_RES_DEF

RES_ID		42
RES_TYPE	LYS
PREV_TYPE	ASP(39.0)    
SPIN_SYSTEM_ID	17
HETEROGENEITY	100
   HN  8.0229 
   N  119.7575  
   HA  4.346
   CA  56.9361  
   HB1|HB2  1.816
   CB  32.9690  
   HG1|HG2  1.47
   CD  29.1496  
   HD1|HD2  1.71
   CG  24.9623  
   HE1|HE2  3.053
   CE  42.5020  
   C  177.25
END_RES_DEF

RES_ID		43
RES_TYPE	CYS(32.7)    
PREV_TYPE	LYS(33.2)    
SPIN_SYSTEM_ID	22
HETEROGENEITY	100
   HN  8.2685 
   N  118.6700  
   HA  4.452
   CA  59.4204  
   HB1|HB2  2.983
   CB  28.0407  
   C  174.86
END_RES_DEF

RES_ID		44
RES_TYPE	GLN(19.6) 
PREV_TYPE	CYS(32.4)  
SPIN_SYSTEM_ID	12
HETEROGENEITY	100
   HN  8.3776  
   N  121.7013  
   HA  4.337
   CA  56.0730  
   HB1|HB2  2.154
   HB2|HB1  2.009
   CB  29.3639  
   HG1|HG2  2.399
   CG  33.9711  
   HE21|HE22  7.487
   HE22|HE21  6.858
   NE2  112.203
   C  176.05
END_RES_DEF

RES_ID		45
RES_TYPE	LEU
PREV_TYPE	GLN(18.4) 
SPIN_SYSTEM_ID	9
HETEROGENEITY	100
   HN  8.1721  
   N  122.6722  
   HA  4.335
   CB  42.2828  
   HB1|HB2  1.596
   HB2|HB1  1.656
   CA  55.4300 
   HG  1.644 
   CG  27.0833  
   HD1#|HD2#  0.881
   CD1|CD2  25.1955 
   HD2#|HD1#  0.851 
   CD2|CD1  23.5793 
   C  177.40 
END_RES_DEF

RES_ID		46
RES_TYPE	LYS(32.8)  
PREV_TYPE	LEU(44.4)   
SPIN_SYSTEM_ID	14
HETEROGENEITY	100
   HN  8.2405 
   N  121.3878  
   HA  4.321
   CA  56.6713  
   HB1|HB2  1.873
   HB2|HB1  1.793
   CB  33.0249 
   HG1|HG1  1.71  
   CG  24.9183  
   HD1|HD1  1.47
   CD  29.2304  
   HE1|HE2  3.009
   CE  42.3052  
   C  177.17
END_RES_DEF

RES_ID		47
RES_TYPE	GLY
PREV_TYPE	LYS(33.0) 
SPIN_SYSTEM_ID	47
HETEROGENEITY	100
   HN  8.3482 
   N  109.3808 
   HA1|HA2  3.955
   CA  45.6324  
   C  174.33
END_RES_DEF

RES_ID		48
RES_TYPE	GLU
PREV_TYPE	GLY(100.0)  
SPIN_SYSTEM_ID	16
HETEROGENEITY	100
   HN  8.1911  
   N  120.0971  
   HA  4.292
   CA  56.4428  
   HB1|HB2  1.977
   HB2|HB1  2.101
   CB  29.8249  
   HG*  2.362
   CG  34.8068 
   C  176.25
END_RES_DEF

RES_ID		49
RES_TYPE	ALA
PREV_TYPE	GLU(19.9) 
SPIN_SYSTEM_ID	4
HETEROGENEITY	100
   HN  8.2703  
   N  124.1188 
   HA  4.286 
   CA  52.7478  
   HB#  1.371
   CB  19.2469  
   C  177.74
END_RES_DEF

RES_ID		50
RES_TYPE	MET
PREV_TYPE	ALA(100.0)  
SPIN_SYSTEM_ID	23
HETEROGENEITY	100
   HN  8.1888  
   N  118.5380 
   HA  4.400
   CA  55.6713  
   HB*  1.994
   CB  32.7423  
   HG1|HG2  2.483
   HG2|HG1  2.535
   CG  32.1992 
   C  176.21
END_RES_DEF

RES_ID		51
RES_TYPE	HIS
PREV_TYPE	MET(23.6)
SPIN_SYSTEM_ID	21
HETEROGENEITY	100
   HN  8.4312  
   N  118.7389
   HA  4.741  
   HB1|HB2  3.329
   HB2|HB1  3.205
   CB  29.1125  
   CA  55.4500  
   C  174.86
END_RES_DEF

RES_ID		52
RES_TYPE	GLY
PREV_TYPE	HIS
SPIN_SYSTEM_ID	46
HETEROGENEITY	100
   HN  8.4309  
   N  109.6085 
   HA*  3.971
   CA  45.3903
   C  173.78
END_RES_DEF

RES_ID		53
RES_TYPE	GLN
PREV_TYPE	GLY(100.0)  
SPIN_SYSTEM_ID	64
HETEROGENEITY	100
   HN  8.2743  
   N  120.0100  
   HA  4.402
   HB1|HB2  2.101
   HB2|HB1  2.001
   CB  29.7182  
   CA  55.8864  
   HG*  2.355
   CG  33.8994  
   HE21|HE22  7.493
   HE22|HE21  6.858
   NE2  112.229
END_RES_DEF

RES_ID		54
RES_TYPE	VAL
PREV_TYPE	GLN(16.4) 
SPIN_SYSTEM_ID	15
HETEROGENEITY	100
   HN  8.2176  
   N  120.8622  
   HA  4.187
   CA  62.2558  
   HB  2.111
   CB  33.0512
   HG1#|HG2  0.932 
   CG1|CG2  21.3150  
   HG2#|HG1#  0.932
   CG2|CG1  20.2826  
   C  175.08
END_RES_DEF

RES_ID		55
RES_TYPE	ASP
PREV_TYPE	VAL(53.1)    
SPIN_SYSTEM_ID	2
HETEROGENEITY	100
   HN  8.0675  
   N  127.2313
   HA  4.474  
   CA  54.7303
   HB#  2.754
   CB  40.9994  
END_RES_DEF




  Entry H atom name         Submitted Coord H atom name
    1   1H    PHE   1           HT1      PHE   1  94.934  -4.041  23.060
    2   2H    PHE   1           HT3      PHE   1  95.696  -5.360  23.806
    3   3H    PHE   1           HT2      PHE   1  94.002  -5.228  23.840
    4    HA   PHE   1           HA       PHE   1  94.077  -4.078  25.704
    5   1HB   PHE   1           HB2      PHE   1  97.080  -3.968  25.575
    6   2HB   PHE   1           HB1      PHE   1  96.038  -4.155  26.986
    7    HD1  PHE   1           HD2      PHE   1  94.423  -6.322  26.885
    8    HD2  PHE   1           HD1      PHE   1  98.136  -5.890  24.726
    9    HE1  PHE   1           HE2      PHE   1  94.582  -8.791  26.654
   10    HE2  PHE   1           HE1      PHE   1  98.284  -8.365  24.501
   11    HZ   PHE   1           HZ       PHE   1  96.513  -9.811  25.474
   12    H    LEU   2           HN       LEU   2  93.168  -2.183  24.948
   13    HA   LEU   2           HA       LEU   2  94.989  -0.024  24.005
   14   1HB   LEU   2           HB2      LEU   2  91.969  -0.152  23.907
   15   2HB   LEU   2           HB1      LEU   2  92.984   1.071  23.150
   16    HG   LEU   2           HG       LEU   2  93.095  -1.887  22.478
   17   1HD1  LEU   2          HD12      LEU   2  91.771   0.419  21.015
   18   2HD1  LEU   2          HD11      LEU   2  91.917  -1.227  20.400
   19   3HD1  LEU   2          HD13      LEU   2  90.933  -0.902  21.827
   20   1HD2  LEU   2          HD23      LEU   2  94.403   0.596  21.338
   21   2HD2  LEU   2          HD22      LEU   2  95.184  -0.885  21.893
   22   3HD2  LEU   2          HD21      LEU   2  94.252  -0.890  20.401
   23    H    ASP   3           HN       ASP   3  95.067   1.967  24.983
   24    HA   ASP   3           HA       ASP   3  94.622   2.091  27.798
   25   1HB   ASP   3           HB2      ASP   3  95.103   4.202  25.688
   26   2HB   ASP   3           HB1      ASP   3  94.822   4.644  27.372
   27    H    GLY   4           HN       GLY   4  92.688   3.138  25.021
   28   1HA   GLY   4           HA2      GLY   4  90.642   4.583  26.240
   29   2HA   GLY   4           HA1      GLY   4  90.357   3.478  24.893
   30    H    ILE   5           HN       ILE   5  91.537   1.335  26.847
   31    HA   ILE   5           HA       ILE   5  89.045   0.227  27.675
   32    HB   ILE   5           HB       ILE   5  91.912  -0.316  28.505
   33   1HG1  ILE   5          HG12      ILE   5  89.982  -1.958  26.844
   34   2HG1  ILE   5          HG11      ILE   5  91.094  -0.784  26.157
   35   1HG2  ILE   5          HG21      ILE   5  90.000  -1.004  30.250
   36   2HG2  ILE   5          HG23      ILE   5  89.687  -2.283  29.088
   37   3HG2  ILE   5          HG22      ILE   5  91.270  -2.137  29.841
   38   1HD1  ILE   5          HD12      ILE   5  91.909  -3.161  27.859
   39   2HD1  ILE   5          HD11      ILE   5  92.040  -3.071  26.105
   40   3HD1  ILE   5          HD13      ILE   5  93.008  -2.004  27.117
   41    H    ASP   6           HN       ASP   6  91.423   2.240  29.381
   42    HA   ASP   6           HA       ASP   6  90.221   2.153  31.971
   43   1HB   ASP   6           HB2      ASP   6  92.227   3.750  30.566
   44   2HB   ASP   6           HB1      ASP   6  91.241   4.796  31.580
   45    H    LYS   7           HN       LYS   7  89.622   4.127  29.134
   46    HA   LYS   7           HA       LYS   7  87.697   5.939  30.199
   47   1HB   LYS   7           HB2      LYS   7  88.979   5.894  27.948
   48   2HB   LYS   7           HB1      LYS   7  87.705   4.821  27.391
   49   1HG   LYS   7           HG2      LYS   7  86.046   6.606  28.095
   50   2HG   LYS   7           HG1      LYS   7  87.434   7.675  28.320
   51   1HD   LYS   7           HD2      LYS   7  87.962   6.627  25.808
   52   2HD   LYS   7           HD1      LYS   7  86.203   6.681  25.797
   53   1HE   LYS   7           HE2      LYS   7  88.177   8.934  25.941
   54   2HE   LYS   7           HE1      LYS   7  86.697   8.803  24.994
   55   1HZ   LYS   7           HZ1      LYS   7  85.739   8.729  27.485
   56   2HZ   LYS   7           HZ3      LYS   7  87.088   9.733  27.705
   57   3HZ   LYS   7           HZ2      LYS   7  85.896  10.152  26.570
   58    H    ALA   8           HN       ALA   8  87.389   2.727  28.723
   59    HA   ALA   8           HA       ALA   8  84.548   2.613  28.601
   60   1HB   ALA   8           HB1      ALA   8  86.711   0.525  28.757
   61   2HB   ALA   8           HB3      ALA   8  85.008   0.062  28.743
   62   3HB   ALA   8           HB2      ALA   8  85.692   0.955  27.385
   63    H    GLN   9           HN       GLN   9  86.796   1.889  31.252
   64    HA   GLN   9           HA       GLN   9  84.952   0.584  32.986
   65   1HB   GLN   9           HB2      GLN   9  87.315   2.385  33.595
   66   2HB   GLN   9           HB1      GLN   9  86.433   1.491  34.831
   67   1HG   GLN   9           HG2      GLN   9  87.009  -0.623  33.786
   68   2HG   GLN   9           HG1      GLN   9  87.764   0.212  32.427
   69   1HE2  GLN   9          HE22      GLN   9  90.494  -0.680  34.803
   70   2HE2  GLN   9          HE21      GLN   9  89.386  -1.543  33.849
   71    H    GLU  10           HN       GLU  10  85.662   4.006  32.455
   72    HA   GLU  10           HA       GLU  10  84.037   5.065  34.533
   73   1HB   GLU  10           HB2      GLU  10  85.620   6.058  32.372
   74   2HB   GLU  10           HB1      GLU  10  84.043   6.819  32.209
   75   1HG   GLU  10           HG2      GLU  10  84.171   7.536  34.589
   76   2HG   GLU  10           HG1      GLU  10  85.782   6.824  34.696
   77    H    GLU  11           HN       GLU  11  83.246   4.186  31.183
   78    HA   GLU  11           HA       GLU  11  80.418   4.979  31.636
   79   1HB   GLU  11           HB2      GLU  11  81.850   3.999  29.151
   80   2HB   GLU  11           HB1      GLU  11  80.160   4.506  29.214
   81   1HG   GLU  11           HG2      GLU  11  80.893   6.736  30.052
   82   2HG   GLU  11           HG1      GLU  11  82.570   6.224  29.875
   83    H    CYS  12           HN       CYS  12  82.132   2.345  32.448
   84    HA   CYS  12           HA       CYS  12  80.846   0.096  31.347
   85   1HB   CYS  12           HB2      CYS  12  82.708  -0.062  32.972
   86   2HB   CYS  12           HB1      CYS  12  81.639   0.517  34.249
   87    H    GLU  13           HN       GLU  13  79.794   2.241  33.968
   88    HA   GLU  13           HA       GLU  13  77.399   0.862  34.672
   89   1HB   GLU  13           HB2      GLU  13  78.540   3.567  35.069
   90   2HB   GLU  13           HB1      GLU  13  76.780   3.557  35.047
   91   1HG   GLU  13           HG2      GLU  13  76.817   1.748  36.774
   92   2HG   GLU  13           HG1      GLU  13  78.573   1.911  36.854
   93    H    LYS  14           HN       LYS  14  78.135   3.177  32.122
   94    HA   LYS  14           HA       LYS  14  75.451   3.679  31.302
   95   1HB   LYS  14           HB2      LYS  14  77.614   4.922  30.677
   96   2HB   LYS  14           HB1      LYS  14  77.836   3.677  29.450
   97   1HG   LYS  14           HG2      LYS  14  75.763   4.251  28.367
   98   2HG   LYS  14           HG1      LYS  14  75.302   5.318  29.693
   99   1HD   LYS  14           HD2      LYS  14  77.498   6.612  29.130
  100   2HD   LYS  14           HD1      LYS  14  77.454   5.726  27.609
  101   1HE   LYS  14           HE2      LYS  14  74.961   7.169  28.478
  102   2HE   LYS  14           HE1      LYS  14  76.298   8.110  27.830
  103   1HZ   LYS  14           HZ2      LYS  14  76.165   6.078  26.091
  104   2HZ   LYS  14           HZ1      LYS  14  74.526   6.274  26.492
  105   3HZ   LYS  14           HZ3      LYS  14  75.408   7.584  25.874
  106    H    TYR  15           HN       TYR  15  77.783   1.183  30.306
  107    HA   TYR  15           HA       TYR  15  75.877   0.082  28.350
  108   1HB   TYR  15           HB2      TYR  15  78.581  -0.892  29.317
  109   2HB   TYR  15           HB1      TYR  15  77.647  -1.648  28.025
  110    HD1  TYR  15           HD2      TYR  15  77.095  -0.337  25.952
  111    HD2  TYR  15           HD1      TYR  15  79.837   1.123  28.932
  112    HE1  TYR  15           HE2      TYR  15  77.989   1.303  24.315
  113    HE2  TYR  15           HE1      TYR  15  80.731   2.775  27.298
  114    HH   TYR  15           HH       TYR  15  79.606   2.814  23.917
  115    H    HIS  16           HN       HIS  16  76.433  -0.202  31.689
  116    HA   HIS  16           HA       HIS  16  75.574  -1.655  33.311
  117   1HB   HIS  16           HB2      HIS  16  73.657  -2.512  31.120
  118   2HB   HIS  16           HB1      HIS  16  73.420  -2.664  32.857
  119    HD1  HIS  16           HD1      HIS  16  74.951   0.498  31.670
  120    HD2  HIS  16           HD2      HIS  16  71.134  -0.899  32.593
  121    HE1  HIS  16           HE1      HIS  16  73.468   2.542  31.858
  122    HE2  HIS  16           HE2      HIS  16  71.141   1.704  32.418
  123    H    SER  17           HN       SER  17  74.199  -4.216  32.154
  124    HA   SER  17           HA       SER  17  76.601  -5.887  32.365
  125   1HB   SER  17           HB2      SER  17  73.692  -6.227  32.621
  126   2HB   SER  17           HB1      SER  17  74.468  -7.586  31.813
  127    HG   SER  17           HG       SER  17  75.505  -8.059  33.600
  128    H    ASN  18           HN       ASN  18  75.101  -4.277  29.844
  129    HA   ASN  18           HA       ASN  18  75.340  -6.383  27.826
  130   1HB   ASN  18           HB2      ASN  18  74.860  -3.399  27.638
  131   2HB   ASN  18           HB1      ASN  18  74.935  -4.459  26.231
  132   1HD2  ASN  18          HD22      ASN  18  71.365  -4.175  27.410
  133   2HD2  ASN  18          HD21      ASN  18  72.537  -3.031  26.963
  134    H    TRP  19           HN       TRP  19  77.650  -6.862  28.392
  135    HA   TRP  19           HA       TRP  19  79.707  -4.912  27.838
  136   1HB   TRP  19           HB2      TRP  19  81.238  -6.856  27.893
  137   2HB   TRP  19           HB1      TRP  19  80.138  -6.863  29.267
  138    HD1  TRP  19           HD1      TRP  19  78.282  -8.721  29.371
  139    HE1  TRP  19           HE1      TRP  19  77.961 -10.942  28.103
  140    HE3  TRP  19           HE3      TRP  19  81.596  -8.031  25.534
  141    HZ2  TRP  19           HZ2      TRP  19  78.974 -12.261  25.765
  142    HZ3  TRP  19           HZ3      TRP  19  81.901  -9.784  23.800
  143    HH2  TRP  19           HH2      TRP  19  80.593 -11.896  23.911
  144    H    ARG  20           HN       ARG  20  77.865  -7.146  25.888
  145    HA   ARG  20           HA       ARG  20  79.585  -7.348  23.635
  146   1HB   ARG  20           HB2      ARG  20  76.568  -7.366  23.848
  147   2HB   ARG  20           HB1      ARG  20  77.435  -7.715  22.352
  148   1HG   ARG  20           HG2      ARG  20  78.655  -9.542  23.511
  149   2HG   ARG  20           HG1      ARG  20  77.719  -9.215  24.970
  150   1HD   ARG  20           HD2      ARG  20  75.634  -9.701  23.748
  151   2HD   ARG  20           HD1      ARG  20  76.564 -10.021  22.286
  152    HE   ARG  20           HE       ARG  20  77.657 -11.728  24.193
  153   1HH1  ARG  20          HH21      ARG  20  74.534 -11.034  22.916
  154   2HH1  ARG  20          HH22      ARG  20  73.941 -12.648  23.129
  155   1HH2  ARG  20          HH11      ARG  20  76.906 -13.839  24.478
  156   2HH2  ARG  20          HH12      ARG  20  75.286 -14.237  24.014
  157    H    ALA  21           HN       ALA  21  77.159  -4.879  24.466
  158    HA   ALA  21           HA       ALA  21  77.406  -3.425  22.001
  159   1HB   ALA  21           HB1      ALA  21  75.569  -3.186  23.763
  160   2HB   ALA  21           HB3      ALA  21  76.719  -2.231  24.693
  161   3HB   ALA  21           HB2      ALA  21  76.197  -1.675  23.105
  162    H    MET  22           HN       MET  22  79.049  -3.155  25.144
  163    HA   MET  22           HA       MET  22  80.623  -0.852  24.505
  164   1HB   MET  22           HB2      MET  22  80.369  -1.717  26.804
  165   2HB   MET  22           HB1      MET  22  81.265  -3.168  26.357
  166   1HG   MET  22           HG2      MET  22  83.276  -1.936  25.996
  167   2HG   MET  22           HG1      MET  22  82.421  -0.394  26.033
  168   1HE   MET  22           HE3      MET  22  83.098  -3.604  27.740
  169   2HE   MET  22           HE2      MET  22  83.288  -3.271  29.459
  170   3HE   MET  22           HE1      MET  22  81.673  -3.380  28.764
  171    H    ALA  23           HN       ALA  23  81.273  -4.339  24.132
  172    HA   ALA  23           HA       ALA  23  83.919  -4.130  23.110
  173   1HB   ALA  23           HB1      ALA  23  81.744  -6.123  22.369
  174   2HB   ALA  23           HB3      ALA  23  83.466  -6.331  22.060
  175   3HB   ALA  23           HB2      ALA  23  82.867  -6.286  23.717
  176    H    SER  24           HN       SER  24  80.762  -3.897  21.505
  177    HA   SER  24           HA       SER  24  81.774  -3.719  18.830
  178   1HB   SER  24           HB2      SER  24  79.212  -3.531  20.167
  179   2HB   SER  24           HB1      SER  24  79.332  -2.281  18.934
  180    HG   SER  24           HG       SER  24  79.609  -3.801  17.410
  181    H    ASP  25           HN       ASP  25  81.110  -1.247  21.299
  182    HA   ASP  25           HA       ASP  25  81.573   0.985  19.524
  183   1HB   ASP  25           HB2      ASP  25  81.443   0.646  22.511
  184   2HB   ASP  25           HB1      ASP  25  82.035   2.166  21.847
  185    H    PHE  26           HN       PHE  26  83.685  -0.781  21.786
  186    HA   PHE  26           HA       PHE  26  85.983   0.882  20.883
  187   1HB   PHE  26           HB2      PHE  26  85.735  -1.243  23.028
  188   2HB   PHE  26           HB1      PHE  26  87.228  -0.406  22.611
  189    HD1  PHE  26           HD1      PHE  26  83.836   0.017  24.054
  190    HD2  PHE  26           HD2      PHE  26  87.617   1.908  23.214
  191    HE1  PHE  26           HE1      PHE  26  83.218   1.913  25.535
  192    HE2  PHE  26           HE2      PHE  26  86.996   3.804  24.692
  193    HZ   PHE  26           HZ       PHE  26  84.797   3.808  25.854
  194    H    ASN  27           HN       ASN  27  84.414  -1.808  19.794
  195    HA   ASN  27           HA       ASN  27  85.023  -3.583  18.392
  196   1HB   ASN  27           HB2      ASN  27  87.339  -1.711  17.823
  197   2HB   ASN  27           HB1      ASN  27  86.865  -3.085  16.824
  198   1HD2  ASN  27          HD22      ASN  27  83.585  -1.332  16.197
  199   2HD2  ASN  27          HD21      ASN  27  84.003  -2.760  17.014
  200    H    LEU  28           HN       LEU  28  85.753  -4.122  21.022
  201    HA   LEU  28           HA       LEU  28  88.480  -5.353  20.761
  202   1HB   LEU  28           HB2      LEU  28  86.893  -4.493  23.184
  203   2HB   LEU  28           HB1      LEU  28  88.300  -5.536  23.311
  204    HG   LEU  28           HG       LEU  28  88.426  -2.841  21.938
  205   1HD1  LEU  28          HD12      LEU  28  88.018  -3.318  24.773
  206   2HD1  LEU  28          HD11      LEU  28  89.665  -2.745  24.556
  207   3HD1  LEU  28          HD13      LEU  28  88.316  -1.791  23.970
  208   1HD2  LEU  28          HD22      LEU  28  90.485  -4.763  23.091
  209   2HD2  LEU  28          HD21      LEU  28  90.316  -4.262  21.411
  210   3HD2  LEU  28          HD23      LEU  28  90.876  -3.112  22.617
  211    HA   PRO  29           HA       PRO  29  86.406  -9.267  20.886
  212   1HB   PRO  29           HB2      PRO  29  88.349 -10.882  21.990
  213   2HB   PRO  29           HB1      PRO  29  88.387 -10.307  20.311
  214   1HG   PRO  29           HG2      PRO  29  89.857  -9.280  22.695
  215   2HG   PRO  29           HG1      PRO  29  90.404  -9.448  21.017
  216   1HD   PRO  29           HD2      PRO  29  89.612  -7.048  22.101
  217   2HD   PRO  29           HD1      PRO  29  89.474  -7.427  20.370
  218    HA   PRO  30           HA       PRO  30  84.313  -9.778  24.769
  219   1HB   PRO  30           HB2      PRO  30  85.021 -12.686  24.680
  220   2HB   PRO  30           HB1      PRO  30  83.439 -11.914  24.884
  221   1HG   PRO  30           HG2      PRO  30  84.281 -13.037  22.549
  222   2HG   PRO  30           HG1      PRO  30  83.094 -11.727  22.641
  223   1HD   PRO  30           HD2      PRO  30  85.863 -11.631  21.639
  224   2HD   PRO  30           HD1      PRO  30  84.551 -10.450  21.435
  225    H    VAL  31           HN       VAL  31  87.585 -11.041  24.450
  226    HA   VAL  31           HA       VAL  31  88.032 -11.800  27.149
  227    HB   VAL  31           HB       VAL  31  89.934 -10.624  25.101
  228   1HG1  VAL  31          HG12      VAL  31  90.490 -10.871  27.870
  229   2HG1  VAL  31          HG11      VAL  31  91.236 -12.283  27.163
  230   3HG1  VAL  31          HG13      VAL  31  91.668 -10.680  26.584
  231   1HG2  VAL  31          HG22      VAL  31  88.774 -13.311  25.538
  232   2HG2  VAL  31          HG21      VAL  31  89.576 -12.655  24.117
  233   3HG2  VAL  31          HG23      VAL  31  90.527 -13.352  25.420
  234    H    VAL  32           HN       VAL  32  88.665  -8.621  25.601
  235    HA   VAL  32           HA       VAL  32  89.403  -7.442  28.147
  236    HB   VAL  32           HB       VAL  32  88.690  -6.177  25.498
  237   1HG1  VAL  32          HG12      VAL  32  89.402  -5.011  28.160
  238   2HG1  VAL  32          HG11      VAL  32  90.173  -4.284  26.757
  239   3HG1  VAL  32          HG13      VAL  32  88.421  -4.341  26.859
  240   1HG2  VAL  32          HG22      VAL  32  90.965  -7.682  26.271
  241   2HG2  VAL  32          HG21      VAL  32  90.831  -6.649  24.854
  242   3HG2  VAL  32          HG23      VAL  32  91.503  -6.014  26.353
  243    H    ALA  33           HN       ALA  33  86.445  -7.387  26.165
  244    HA   ALA  33           HA       ALA  33  85.057  -5.455  27.719
  245   1HB   ALA  33           HB1      ALA  33  84.382  -6.535  25.475
  246   2HB   ALA  33           HB3      ALA  33  83.725  -7.849  26.450
  247   3HB   ALA  33           HB2      ALA  33  83.090  -6.212  26.630
  248    H    LYS  34           HN       LYS  34  85.054  -9.010  27.978
  249    HA   LYS  34           HA       LYS  34  83.422  -9.108  30.318
  250   1HB   LYS  34           HB2      LYS  34  85.506 -11.025  29.244
  251   2HB   LYS  34           HB1      LYS  34  84.497 -11.380  30.648
  252   1HG   LYS  34           HG2      LYS  34  82.475 -10.892  29.191
  253   2HG   LYS  34           HG1      LYS  34  83.576 -10.826  27.817
  254   1HD   LYS  34           HD2      LYS  34  84.303 -13.140  28.291
  255   2HD   LYS  34           HD1      LYS  34  83.185 -13.203  29.656
  256   1HE   LYS  34           HE2      LYS  34  81.341 -12.592  27.979
  257   2HE   LYS  34           HE1      LYS  34  82.515 -12.966  26.721
  258   1HZ   LYS  34           HZ1      LYS  34  82.693 -15.080  28.412
  259   2HZ   LYS  34           HZ3      LYS  34  81.032 -14.735  28.411
  260   3HZ   LYS  34           HZ2      LYS  34  81.833 -15.051  26.946
  261    H    GLU  35           HN       GLU  35  86.926  -8.820  29.889
  262    HA   GLU  35           HA       GLU  35  87.657  -9.116  32.612
  263   1HB   GLU  35           HB2      GLU  35  89.253  -9.014  30.670
  264   2HB   GLU  35           HB1      GLU  35  88.984  -7.273  30.607
  265   1HG   GLU  35           HG2      GLU  35  89.858  -8.641  33.159
  266   2HG   GLU  35           HG1      GLU  35  91.021  -8.111  31.952
  267    H    ILE  36           HN       ILE  36  86.599  -6.243  30.795
  268    HA   ILE  36           HA       ILE  36  87.051  -4.342  32.883
  269    HB   ILE  36           HB       ILE  36  85.029  -4.382  30.624
  270   1HG1  ILE  36          HG12      ILE  36  87.605  -2.809  30.940
  271   2HG1  ILE  36          HG11      ILE  36  87.535  -4.367  30.129
  272   1HG2  ILE  36          HG23      ILE  36  85.802  -2.213  32.588
  273   2HG2  ILE  36          HG22      ILE  36  84.993  -1.874  31.061
  274   3HG2  ILE  36          HG21      ILE  36  84.189  -2.855  32.284
  275   1HD1  ILE  36          HD11      ILE  36  85.579  -3.186  28.745
  276   2HD1  ILE  36          HD13      ILE  36  86.423  -1.725  29.253
  277   3HD1  ILE  36          HD12      ILE  36  87.267  -2.942  28.310
  278    H    VAL  37           HN       VAL  37  84.246  -6.375  32.090
  279    HA   VAL  37           HA       VAL  37  82.526  -5.375  34.173
  280    HB   VAL  37           HB       VAL  37  82.651  -8.019  32.689
  281   1HG1  VAL  37          HG13      VAL  37  80.892  -7.129  34.947
  282   2HG1  VAL  37          HG12      VAL  37  80.134  -8.031  33.637
  283   3HG1  VAL  37          HG11      VAL  37  81.464  -8.743  34.547
  284   1HG2  VAL  37          HG22      VAL  37  82.061  -6.018  31.366
  285   2HG2  VAL  37          HG21      VAL  37  80.679  -7.101  31.527
  286   3HG2  VAL  37          HG23      VAL  37  80.772  -5.641  32.510
  287    H    ALA  38           HN       ALA  38  84.891  -7.970  33.967
  288    HA   ALA  38           HA       ALA  38  84.476  -9.148  36.521
  289   1HB   ALA  38           HB1      ALA  38  86.915  -8.944  34.773
  290   2HB   ALA  38           HB3      ALA  38  86.840  -9.925  36.234
  291   3HB   ALA  38           HB2      ALA  38  85.770 -10.272  34.873
  292    H    SER  39           HN       SER  39  85.878  -6.100  35.679
  293    HA   SER  39           HA       SER  39  87.384  -5.958  38.249
  294   1HB   SER  39           HB2      SER  39  87.191  -4.064  35.891
  295   2HB   SER  39           HB1      SER  39  88.108  -3.724  37.357
  296    HG   SER  39           HG       SER  39  89.189  -4.800  35.452
  297    H    CYS  40           HN       CYS  40  84.620  -4.532  36.562
  298    HA   CYS  40           HA       CYS  40  83.964  -2.557  38.522
  299   1HB   CYS  40           HB2      CYS  40  82.927  -2.852  36.200
  300   2HB   CYS  40           HB1      CYS  40  81.968  -4.152  36.901
  301    H    ASP  41           HN       ASP  41  83.107  -2.832  40.571
  302    HA   ASP  41           HA       ASP  41  82.866  -5.544  41.597
  303   1HB   ASP  41           HB2      ASP  41  82.359  -2.829  42.829
  304   2HB   ASP  41           HB1      ASP  41  82.178  -4.342  43.718
  305    H    LYS  42           HN       LYS  42  80.583  -3.087  40.517
  306    HA   LYS  42           HA       LYS  42  78.294  -4.376  41.758
  307   1HB   LYS  42           HB2      LYS  42  78.421  -2.342  39.518
  308   2HB   LYS  42           HB1      LYS  42  76.964  -2.801  40.404
  309   1HG   LYS  42           HG2      LYS  42  78.014  -2.065  42.513
  310   2HG   LYS  42           HG1      LYS  42  79.463  -1.597  41.625
  311   1HD   LYS  42           HD2      LYS  42  78.084  -0.006  40.283
  312   2HD   LYS  42           HD1      LYS  42  76.690  -0.427  41.275
  313   1HE   LYS  42           HE2      LYS  42  78.661   0.204  43.171
  314   2HE   LYS  42           HE1      LYS  42  78.900   1.399  41.897
  315   1HZ   LYS  42           HZ1      LYS  42  76.137   0.947  42.505
  316   2HZ   LYS  42           HZ3      LYS  42  77.017   1.503  43.844
  317   3HZ   LYS  42           HZ2      LYS  42  77.004   2.405  42.404
  318    H    CYS  43           HN       CYS  43  79.641  -4.386  38.447
  319    HA   CYS  43           HA       CYS  43  77.516  -6.165  37.510
  320   1HB   CYS  43           HB2      CYS  43  80.111  -5.329  36.195
  321   2HB   CYS  43           HB1      CYS  43  78.821  -6.240  35.413
  322    H    GLN  44           HN       GLN  44  80.352  -6.607  39.302
  323    HA   GLN  44           HA       GLN  44  81.136  -9.206  38.253
  324   1HB   GLN  44           HB2      GLN  44  82.692  -7.797  39.566
  325   2HB   GLN  44           HB1      GLN  44  81.632  -7.926  40.961
  326   1HG   GLN  44           HG2      GLN  44  82.863  -9.754  41.574
  327   2HG   GLN  44           HG1      GLN  44  82.076 -10.617  40.261
  328   1HE2  GLN  44          HE22      GLN  44  85.677  -8.953  39.228
  329   2HE2  GLN  44          HE21      GLN  44  84.528  -8.010  40.048
  330    H    LEU  45           HN       LEU  45  79.747  -8.364  41.429
  331    HA   LEU  45           HA       LEU  45  78.622 -11.064  41.684
  332   1HB   LEU  45           HB2      LEU  45  78.267  -8.625  43.458
  333   2HB   LEU  45           HB1      LEU  45  77.844 -10.282  43.878
  334    HG   LEU  45           HG       LEU  45  80.638  -9.269  43.265
  335   1HD1  LEU  45          HD11      LEU  45  79.219  -8.905  45.617
  336   2HD1  LEU  45          HD13      LEU  45  80.042 -10.431  45.941
  337   3HD1  LEU  45          HD12      LEU  45  80.974  -8.996  45.521
  338   1HD2  LEU  45          HD22      LEU  45  79.496 -12.013  43.788
  339   2HD2  LEU  45          HD21      LEU  45  80.700 -11.516  42.599
  340   3HD2  LEU  45          HD23      LEU  45  81.144 -11.649  44.298
  341    H    LYS  46           HN       LYS  46  76.393 -11.545  41.650
  342    HA   LYS  46           HA       LYS  46  74.769  -9.793  39.981
  343   1HB   LYS  46           HB2      LYS  46  74.382 -12.463  41.318
  344   2HB   LYS  46           HB1      LYS  46  72.971 -11.603  40.704
  345   1HG   LYS  46           HG2      LYS  46  74.008 -11.484  38.470
  346   2HG   LYS  46           HG1      LYS  46  75.427 -12.338  39.079
  347   1HD   LYS  46           HD2      LYS  46  74.195 -14.335  39.462
  348   2HD   LYS  46           HD1      LYS  46  72.647 -13.503  39.310
  349   1HE   LYS  46           HE2      LYS  46  73.542 -14.924  37.292
  350   2HE   LYS  46           HE1      LYS  46  72.804 -13.353  36.981
  351   1HZ   LYS  46           HZ1      LYS  46  75.672 -13.409  37.523
  352   2HZ   LYS  46           HZ3      LYS  46  75.156 -14.008  36.022
  353   3HZ   LYS  46           HZ2      LYS  46  74.782 -12.413  36.472
  354   1H    PHE   1           HT1      PHE   1  96.972 -12.049  22.608
  355   2H    PHE   1           HT3      PHE   1  95.748 -10.887  22.447
  356   3H    PHE   1           HT2      PHE   1  96.227 -11.404  23.992
  357    HA   PHE   1           HA       PHE   1  94.751 -13.024  23.965
  358   1HB   PHE   1           HB2      PHE   1  94.047 -12.403  21.107
  359   2HB   PHE   1           HB1      PHE   1  92.987 -12.902  22.426
  360    HD1  PHE   1           HD2      PHE   1  93.016 -11.236  24.556
  361    HD2  PHE   1           HD1      PHE   1  94.076 -10.125  20.522
  362    HE1  PHE   1           HE2      PHE   1  92.591  -8.846  25.097
  363    HE2  PHE   1           HE1      PHE   1  93.648  -7.736  21.076
  364    HZ   PHE   1           HZ       PHE   1  92.899  -7.103  23.358
  365    H    LEU   2           HN       LEU   2  96.164 -14.749  24.090
  366    HA   LEU   2           HA       LEU   2  97.043 -16.038  21.553
  367   1HB   LEU   2           HB2      LEU   2  97.957 -16.577  24.385
  368   2HB   LEU   2           HB1      LEU   2  98.667 -17.243  22.918
  369    HG   LEU   2           HG       LEU   2  98.550 -14.278  23.559
  370   1HD1  LEU   2          HD12      LEU   2 100.837 -16.259  23.802
  371   2HD1  LEU   2          HD11      LEU   2 100.971 -14.516  24.030
  372   3HD1  LEU   2          HD13      LEU   2 100.002 -15.479  25.145
  373   1HD2  LEU   2          HD23      LEU   2  99.834 -15.923  21.363
  374   2HD2  LEU   2          HD22      LEU   2  98.743 -14.548  21.192
  375   3HD2  LEU   2          HD21      LEU   2 100.391 -14.297  21.754
  376    H    ASP   3           HN       ASP   3  96.591 -18.161  21.089
  377    HA   ASP   3           HA       ASP   3  94.132 -19.244  22.049
  378   1HB   ASP   3           HB2      ASP   3  96.462 -20.435  20.535
  379   2HB   ASP   3           HB1      ASP   3  95.083 -21.426  21.012
  380    H    GLY   4           HN       GLY   4  97.509 -19.796  22.964
  381   1HA   GLY   4           HA2      GLY   4  97.303 -21.971  24.692
  382   2HA   GLY   4           HA1      GLY   4  98.370 -20.601  25.008
  383    H    ILE   5           HN       ILE   5  95.707 -18.955  24.952
  384    HA   ILE   5           HA       ILE   5  95.377 -18.753  27.776
  385    HB   ILE   5           HB       ILE   5  93.664 -17.854  25.438
  386   1HG1  ILE   5          HG12      ILE   5  95.359 -16.265  27.383
  387   2HG1  ILE   5          HG11      ILE   5  95.964 -16.885  25.855
  388   1HG2  ILE   5          HG21      ILE   5  92.419 -18.192  27.786
  389   2HG2  ILE   5          HG23      ILE   5  93.281 -16.723  28.219
  390   3HG2  ILE   5          HG22      ILE   5  92.169 -16.730  26.856
  391   1HD1  ILE   5          HD12      ILE   5  93.583 -15.029  26.156
  392   2HD1  ILE   5          HD11      ILE   5  95.196 -14.542  25.645
  393   3HD1  ILE   5          HD13      ILE   5  94.239 -15.619  24.634
  394    H    ASP   6           HN       ASP   6  93.602 -20.597  25.313
  395    HA   ASP   6           HA       ASP   6  91.516 -21.588  26.994
  396   1HB   ASP   6           HB2      ASP   6  92.637 -22.174  24.357
  397   2HB   ASP   6           HB1      ASP   6  92.226 -23.677  25.174
  398    H    LYS   7           HN       LYS   7  94.794 -22.673  26.377
  399    HA   LYS   7           HA       LYS   7  94.785 -25.114  27.849
  400   1HB   LYS   7           HB2      LYS   7  96.502 -24.087  26.203
  401   2HB   LYS   7           HB1      LYS   7  97.122 -23.214  27.595
  402   1HG   LYS   7           HG2      LYS   7  97.365 -25.457  28.754
  403   2HG   LYS   7           HG1      LYS   7  97.021 -26.198  27.188
  404   1HD   LYS   7           HD2      LYS   7  98.952 -24.336  26.490
  405   2HD   LYS   7           HD1      LYS   7  99.474 -24.784  28.110
  406   1HE   LYS   7           HE2      LYS   7  99.321 -26.460  25.628
  407   2HE   LYS   7           HE1      LYS   7 100.588 -26.384  26.851
  408   1HZ   LYS   7           HZ1      LYS   7  98.528 -27.300  28.281
  409   2HZ   LYS   7           HZ3      LYS   7  98.183 -27.989  26.769
  410   3HZ   LYS   7           HZ2      LYS   7  99.675 -28.297  27.521
  411    H    ALA   8           HN       ALA   8  95.473 -21.761  28.790
  412    HA   ALA   8           HA       ALA   8  96.361 -22.266  31.446
  413   1HB   ALA   8           HB1      ALA   8  95.104 -19.892  30.085
  414   2HB   ALA   8           HB3      ALA   8  95.488 -19.848  31.807
  415   3HB   ALA   8           HB2      ALA   8  96.770 -20.099  30.623
  416    H    GLN   9           HN       GLN   9  93.089 -21.902  30.115
  417    HA   GLN   9           HA       GLN   9  91.688 -21.650  32.582
  418   1HB   GLN   9           HB2      GLN   9  90.886 -22.964  29.968
  419   2HB   GLN   9           HB1      GLN   9  89.773 -22.718  31.312
  420   1HG   GLN   9           HG2      GLN   9  90.074 -20.313  31.191
  421   2HG   GLN   9           HG1      GLN   9  91.323 -20.493  29.957
  422   1HE2  GLN   9          HE22      GLN   9  88.130 -19.780  28.171
  423   2HE2  GLN   9          HE21      GLN   9  89.122 -18.941  29.263
  424    H    GLU  10           HN       GLU  10  92.802 -24.485  30.789
  425    HA   GLU  10           HA       GLU  10  91.586 -26.474  32.417
  426   1HB   GLU  10           HB2      GLU  10  93.383 -26.365  30.198
  427   2HB   GLU  10           HB1      GLU  10  94.163 -27.377  31.408
  428   1HG   GLU  10           HG2      GLU  10  92.088 -28.743  31.566
  429   2HG   GLU  10           HG1      GLU  10  91.362 -27.751  30.300
  430    H    GLU  11           HN       GLU  11  94.710 -24.810  32.723
  431    HA   GLU  11           HA       GLU  11  95.279 -26.326  35.216
  432   1HB   GLU  11           HB2      GLU  11  96.947 -24.328  33.660
  433   2HB   GLU  11           HB1      GLU  11  97.488 -25.201  35.097
  434   1HG   GLU  11           HG2      GLU  11  97.037 -27.353  33.922
  435   2HG   GLU  11           HG1      GLU  11  96.605 -26.443  32.474
  436    H    CYS  12           HN       CYS  12  93.408 -23.752  34.572
  437    HA   CYS  12           HA       CYS  12  94.255 -21.628  36.214
  438   1HB   CYS  12           HB2      CYS  12  92.182 -21.559  34.862
  439   2HB   CYS  12           HB1      CYS  12  91.437 -22.730  35.949
  440    H    GLU  13           HN       GLU  13  92.633 -24.656  37.096
  441    HA   GLU  13           HA       GLU  13  92.326 -24.144  39.885
  442   1HB   GLU  13           HB2      GLU  13  92.284 -26.505  38.097
  443   2HB   GLU  13           HB1      GLU  13  92.799 -26.890  39.735
  444   1HG   GLU  13           HG2      GLU  13  90.751 -25.742  40.597
  445   2HG   GLU  13           HG1      GLU  13  90.219 -25.518  38.929
  446    H    LYS  14           HN       LYS  14  95.042 -25.330  37.981
  447    HA   LYS  14           HA       LYS  14  96.683 -26.151  40.163
  448   1HB   LYS  14           HB2      LYS  14  96.950 -26.615  37.647
  449   2HB   LYS  14           HB1      LYS  14  97.727 -25.037  37.558
  450   1HG   LYS  14           HG2      LYS  14  99.457 -25.705  39.094
  451   2HG   LYS  14           HG1      LYS  14  98.611 -27.204  39.479
  452   1HD   LYS  14           HD2      LYS  14  98.824 -27.726  36.931
  453   2HD   LYS  14           HD1      LYS  14 100.036 -26.449  36.922
  454   1HE   LYS  14           HE2      LYS  14 100.281 -28.617  38.994
  455   2HE   LYS  14           HE1      LYS  14 100.730 -28.983  37.333
  456   1HZ   LYS  14           HZ2      LYS  14 101.895 -26.600  37.704
  457   2HZ   LYS  14           HZ1      LYS  14 102.034 -27.278  39.256
  458   3HZ   LYS  14           HZ3      LYS  14 102.672 -28.096  37.915
  459    H    TYR  15           HN       TYR  15  96.349 -23.009  38.529
  460    HA   TYR  15           HA       TYR  15  98.441 -21.823  40.229
  461   1HB   TYR  15           HB2      TYR  15  96.543 -20.606  38.199
  462   2HB   TYR  15           HB1      TYR  15  97.826 -19.721  39.029
  463    HD1  TYR  15           HD2      TYR  15 100.222 -20.420  38.722
  464    HD2  TYR  15           HD1      TYR  15  97.029 -22.063  36.348
  465    HE1  TYR  15           HE2      TYR  15 101.883 -21.227  37.062
  466    HE2  TYR  15           HE1      TYR  15  98.690 -22.882  34.684
  467    HH   TYR  15           HH       TYR  15 102.157 -22.132  35.022
  468    H    HIS  16           HN       HIS  16  95.114 -22.462  40.486
  469    HA   HIS  16           HA       HIS  16  93.502 -21.814  42.055
  470   1HB   HIS  16           HB2      HIS  16  95.873 -20.784  43.644
  471   2HB   HIS  16           HB1      HIS  16  94.291 -21.233  44.269
  472    HD1  HIS  16           HD1      HIS  16  95.719 -23.439  41.654
  473    HD2  HIS  16           HD2      HIS  16  95.606 -23.302  45.818
  474    HE1  HIS  16           HE1      HIS  16  96.454 -25.723  42.465
  475    HE2  HIS  16           HE2      HIS  16  96.391 -25.651  44.999
  476    H    SER  17           HN       SER  17  94.351 -19.405  43.861
  477    HA   SER  17           HA       SER  17  93.075 -17.380  42.165
  478   1HB   SER  17           HB2      SER  17  93.578 -17.806  45.030
  479   2HB   SER  17           HB1      SER  17  93.783 -16.126  44.546
  480    HG   SER  17           HG       SER  17  91.717 -16.003  44.090
  481    H    ASN  18           HN       ASN  18  96.227 -18.432  42.561
  482    HA   ASN  18           HA       ASN  18  97.528 -15.811  42.550
  483   1HB   ASN  18           HB2      ASN  18  98.554 -18.619  42.068
  484   2HB   ASN  18           HB1      ASN  18  99.585 -17.189  42.023
  485   1HD2  ASN  18          HD22      ASN  18  99.569 -18.627  45.509
  486   2HD2  ASN  18          HD21      ASN  18  99.926 -19.279  43.983
  487    H    TRP  19           HN       TRP  19  96.234 -15.017  40.658
  488    HA   TRP  19           HA       TRP  19  96.634 -16.180  38.044
  489   1HB   TRP  19           HB2      TRP  19  95.684 -14.052  37.209
  490   2HB   TRP  19           HB1      TRP  19  94.717 -14.720  38.520
  491    HD1  TRP  19           HD1      TRP  19  94.700 -13.457  40.826
  492    HE1  TRP  19           HE1      TRP  19  95.435 -11.088  41.526
  493    HE3  TRP  19           HE3      TRP  19  97.491 -12.160  36.738
  494    HZ2  TRP  19           HZ2      TRP  19  97.003  -8.920  40.492
  495    HZ3  TRP  19           HZ3      TRP  19  98.595  -9.937  36.619
  496    HH2  TRP  19           HH2      TRP  19  98.355  -8.317  38.491
  497    H    ARG  20           HN       ARG  20  98.431 -13.935  40.024
  498    HA   ARG  20           HA       ARG  20  99.987 -12.663  38.016
  499   1HB   ARG  20           HB2      ARG  20 100.639 -13.399  40.876
  500   2HB   ARG  20           HB1      ARG  20 101.699 -12.418  39.864
  501   1HG   ARG  20           HG2      ARG  20  99.840 -10.810  39.511
  502   2HG   ARG  20           HG1      ARG  20  98.827 -11.774  40.588
  503   1HD   ARG  20           HD2      ARG  20 100.436 -11.423  42.423
  504   2HD   ARG  20           HD1      ARG  20 101.453 -10.465  41.350
  505    HE   ARG  20           HE       ARG  20  98.963  -9.227  41.235
  506   1HH1  ARG  20          HH21      ARG  20 101.200 -10.185  43.674
  507   2HH1  ARG  20          HH22      ARG  20 100.783  -8.895  44.751
  508   1HH2  ARG  20          HH11      ARG  20  98.405  -7.536  42.623
  509   2HH2  ARG  20          HH12      ARG  20  99.199  -7.393  44.155
  510    H    ALA  21           HN       ALA  21 100.494 -15.752  39.711
  511    HA   ALA  21           HA       ALA  21 103.062 -16.280  38.538
  512   1HB   ALA  21           HB1      ALA  21 102.003 -17.461  40.543
  513   2HB   ALA  21           HB3      ALA  21 101.043 -18.368  39.378
  514   3HB   ALA  21           HB2      ALA  21 102.799 -18.511  39.370
  515    H    MET  22           HN       MET  22  99.744 -17.123  37.576
  516    HA   MET  22           HA       MET  22 100.444 -18.695  35.291
  517   1HB   MET  22           HB2      MET  22  98.174 -18.662  36.260
  518   2HB   MET  22           HB1      MET  22  97.987 -16.980  35.766
  519   1HG   MET  22           HG2      MET  22  98.049 -17.550  33.450
  520   2HG   MET  22           HG1      MET  22  98.626 -19.180  33.794
  521   1HE   MET  22           HE3      MET  22  96.079 -16.587  34.474
  522   2HE   MET  22           HE2      MET  22  94.509 -17.380  34.553
  523   3HE   MET  22           HE1      MET  22  95.585 -17.434  35.946
  524    H    ALA  23           HN       ALA  23  99.770 -15.211  35.648
  525    HA   ALA  23           HA       ALA  23 100.021 -14.487  32.908
  526   1HB   ALA  23           HB1      ALA  23 100.846 -12.914  35.377
  527   2HB   ALA  23           HB3      ALA  23 100.596 -12.234  33.770
  528   3HB   ALA  23           HB2      ALA  23  99.238 -12.922  34.658
  529    H    SER  24           HN       SER  24 102.460 -14.927  35.449
  530    HA   SER  24           HA       SER  24 104.701 -14.038  33.900
  531   1HB   SER  24           HB2      SER  24 104.229 -15.206  36.508
  532   2HB   SER  24           HB1      SER  24 105.641 -15.954  35.768
  533    HG   SER  24           HG       SER  24 106.612 -14.017  35.648
  534    H    ASP  25           HN       ASP  25 103.189 -17.233  34.292
  535    HA   ASP  25           HA       ASP  25 105.242 -18.642  32.827
  536   1HB   ASP  25           HB2      ASP  25 102.423 -19.279  33.667
  537   2HB   ASP  25           HB1      ASP  25 103.238 -20.344  32.524
  538    H    PHE  26           HN       PHE  26 102.120 -17.227  31.854
  539    HA   PHE  26           HA       PHE  26 102.707 -17.963  29.029
  540   1HB   PHE  26           HB2      PHE  26 100.276 -16.717  30.338
  541   2HB   PHE  26           HB1      PHE  26 100.442 -17.022  28.611
  542    HD1  PHE  26           HD1      PHE  26 100.163 -18.628  31.944
  543    HD2  PHE  26           HD2      PHE  26 100.327 -19.257  27.682
  544    HE1  PHE  26           HE1      PHE  26  99.417 -20.977  32.260
  545    HE2  PHE  26           HE2      PHE  26  99.585 -21.605  28.002
  546    HZ   PHE  26           HZ       PHE  26  99.129 -22.467  30.289
  547    H    ASN  27           HN       ASN  27 103.518 -15.500  31.069
  548    HA   ASN  27           HA       ASN  27 104.221 -13.290  30.741
  549   1HB   ASN  27           HB2      ASN  27 104.544 -14.316  27.907
  550   2HB   ASN  27           HB1      ASN  27 105.275 -12.847  28.552
  551   1HD2  ASN  27          HD22      ASN  27 107.206 -15.020  30.955
  552   2HD2  ASN  27          HD21      ASN  27 105.987 -13.857  31.161
  553    H    LEU  28           HN       LEU  28 101.443 -13.436  30.765
  554    HA   LEU  28           HA       LEU  28 100.618 -11.597  28.538
  555   1HB   LEU  28           HB2      LEU  28  99.024 -13.499  30.261
  556   2HB   LEU  28           HB1      LEU  28  98.258 -12.254  29.287
  557    HG   LEU  28           HG       LEU  28 100.143 -14.293  28.082
  558   1HD1  LEU  28          HD12      LEU  28  97.512 -14.818  29.191
  559   2HD1  LEU  28          HD11      LEU  28  97.385 -14.906  27.441
  560   3HD1  LEU  28          HD13      LEU  28  98.540 -15.913  28.292
  561   1HD2  LEU  28          HD22      LEU  28  98.030 -12.404  26.976
  562   2HD2  LEU  28          HD21      LEU  28  99.757 -12.389  26.636
  563   3HD2  LEU  28          HD23      LEU  28  98.755 -13.694  26.021
  564    HA   PRO  29           HA       PRO  29 100.150  -8.492  31.665
  565   1HB   PRO  29           HB2      PRO  29  98.188  -6.898  30.564
  566   2HB   PRO  29           HB1      PRO  29  99.874  -6.903  30.010
  567   1HG   PRO  29           HG2      PRO  29  97.491  -8.252  28.827
  568   2HG   PRO  29           HG1      PRO  29  98.854  -7.455  28.020
  569   1HD   PRO  29           HD2      PRO  29  98.648 -10.187  28.266
  570   2HD   PRO  29           HD1      PRO  29 100.203  -9.335  28.150
  571    HA   PRO  30           HA       PRO  30  97.014  -9.692  34.570
  572   1HB   PRO  30           HB2      PRO  30  96.198  -6.817  34.759
  573   2HB   PRO  30           HB1      PRO  30  96.642  -7.953  36.045
  574   1HG   PRO  30           HG2      PRO  30  98.303  -6.004  35.114
  575   2HG   PRO  30           HG1      PRO  30  98.867  -7.514  35.848
  576   1HD   PRO  30           HD2      PRO  30  99.038  -6.663  33.032
  577   2HD   PRO  30           HD1      PRO  30  99.881  -7.990  33.859
  578    H    VAL  31           HN       VAL  31  96.083  -7.683  31.832
  579    HA   VAL  31           HA       VAL  31  93.269  -7.710  32.201
  580    HB   VAL  31           HB       VAL  31  94.913  -7.733  29.653
  581   1HG1  VAL  31          HG12      VAL  31  92.124  -8.232  29.782
  582   2HG1  VAL  31          HG11      VAL  31  92.231  -6.540  29.362
  583   3HG1  VAL  31          HG13      VAL  31  93.031  -7.744  28.361
  584   1HG2  VAL  31          HG22      VAL  31  94.190  -5.650  31.626
  585   2HG2  VAL  31          HG21      VAL  31  95.440  -5.636  30.390
  586   3HG2  VAL  31          HG23      VAL  31  93.794  -5.177  29.981
  587    H    VAL  32           HN       VAL  32  95.287 -10.027  30.342
  588    HA   VAL  32           HA       VAL  32  92.998 -11.733  29.828
  589    HB   VAL  32           HB       VAL  32  95.962 -12.248  29.567
  590   1HG1  VAL  32          HG12      VAL  32  93.568 -13.983  29.106
  591   2HG1  VAL  32          HG11      VAL  32  94.827 -14.047  27.882
  592   3HG1  VAL  32          HG13      VAL  32  95.214 -14.424  29.552
  593   1HG2  VAL  32          HG22      VAL  32  94.237 -10.580  28.059
  594   2HG2  VAL  32          HG21      VAL  32  95.840 -11.124  27.581
  595   3HG2  VAL  32          HG23      VAL  32  94.411 -12.022  27.075
  596    H    ALA  33           HN       ALA  33  95.688 -11.846  32.158
  597    HA   ALA  33           HA       ALA  33  95.101 -14.424  33.197
  598   1HB   ALA  33           HB1      ALA  33  97.116 -12.889  33.684
  599   2HB   ALA  33           HB3      ALA  33  96.082 -12.125  34.890
  600   3HB   ALA  33           HB2      ALA  33  96.487 -13.837  35.030
  601    H    LYS  34           HN       LYS  34  94.008 -11.221  34.314
  602    HA   LYS  34           HA       LYS  34  92.273 -12.222  36.348
  603   1HB   LYS  34           HB2      LYS  34  92.221  -9.646  34.755
  604   2HB   LYS  34           HB1      LYS  34  91.118  -9.981  36.091
  605   1HG   LYS  34           HG2      LYS  34  93.160 -10.443  37.529
  606   2HG   LYS  34           HG1      LYS  34  94.141  -9.830  36.200
  607   1HD   LYS  34           HD2      LYS  34  92.939  -7.673  36.311
  608   2HD   LYS  34           HD1      LYS  34  91.972  -8.290  37.653
  609   1HE   LYS  34           HE2      LYS  34  94.199  -8.756  38.843
  610   2HE   LYS  34           HE1      LYS  34  94.945  -7.757  37.600
  611   1HZ   LYS  34           HZ1      LYS  34  92.817  -6.284  38.415
  612   2HZ   LYS  34           HZ3      LYS  34  93.370  -6.980  39.859
  613   3HZ   LYS  34           HZ2      LYS  34  94.428  -6.055  38.904
  614    H    GLU  35           HN       GLU  35  91.749 -11.559  32.908
  615    HA   GLU  35           HA       GLU  35  88.942 -11.958  32.878
  616   1HB   GLU  35           HB2      GLU  35  90.319 -11.091  30.958
  617   2HB   GLU  35           HB1      GLU  35  90.871 -12.741  30.677
  618   1HG   GLU  35           HG2      GLU  35  87.926 -12.064  30.797
  619   2HG   GLU  35           HG1      GLU  35  88.845 -11.919  29.305
  620    H    ILE  36           HN       ILE  36  91.619 -14.293  32.631
  621    HA   ILE  36           HA       ILE  36  90.008 -16.590  32.074
  622    HB   ILE  36           HB       ILE  36  92.668 -16.317  33.503
  623   1HG1  ILE  36          HG12      ILE  36  92.023 -17.281  30.699
  624   2HG1  ILE  36          HG11      ILE  36  92.423 -15.608  31.061
  625   1HG2  ILE  36          HG23      ILE  36  91.146 -18.750  32.542
  626   2HG2  ILE  36          HG22      ILE  36  92.875 -18.777  32.878
  627   3HG2  ILE  36          HG21      ILE  36  91.731 -18.429  34.173
  628   1HD1  ILE  36          HD11      ILE  36  94.544 -16.718  32.245
  629   2HD1  ILE  36          HD13      ILE  36  94.184 -18.032  31.129
  630   3HD1  ILE  36          HD12      ILE  36  94.530 -16.425  30.510
  631    H    VAL  37           HN       VAL  37  91.050 -15.105  35.131
  632    HA   VAL  37           HA       VAL  37  89.843 -17.062  36.866
  633    HB   VAL  37           HB       VAL  37  90.551 -14.134  37.231
  634   1HG1  VAL  37          HG13      VAL  37  89.165 -16.052  39.072
  635   2HG1  VAL  37          HG12      VAL  37  90.379 -14.988  39.776
  636   3HG1  VAL  37          HG11      VAL  37  88.988 -14.307  38.937
  637   1HG2  VAL  37          HG22      VAL  37  92.426 -15.709  36.910
  638   2HG2  VAL  37          HG21      VAL  37  92.408 -15.072  38.554
  639   3HG2  VAL  37          HG23      VAL  37  91.819 -16.703  38.235
  640    H    ALA  38           HN       ALA  38  88.741 -14.063  35.394
  641    HA   ALA  38           HA       ALA  38  86.206 -13.854  36.663
  642   1HB   ALA  38           HB1      ALA  38  87.186 -12.954  33.966
  643   2HB   ALA  38           HB3      ALA  38  85.616 -12.511  34.631
  644   3HB   ALA  38           HB2      ALA  38  87.100 -12.017  35.448
  645    H    SER  39           HN       SER  39  87.319 -16.086  34.263
  646    HA   SER  39           HA       SER  39  84.541 -16.673  33.358
  647   1HB   SER  39           HB2      SER  39  87.240 -17.740  32.484
  648   2HB   SER  39           HB1      SER  39  85.701 -18.297  31.831
  649    HG   SER  39           HG       SER  39  86.907 -16.471  30.750
  650    H    CYS  40           HN       CYS  40  87.234 -18.099  35.158
  651    HA   CYS  40           HA       CYS  40  86.074 -20.677  35.584
  652   1HB   CYS  40           HB2      CYS  40  88.451 -19.926  36.158
  653   2HB   CYS  40           HB1      CYS  40  87.760 -19.158  37.584
  654    H    ASP  41           HN       ASP  41  84.346 -21.249  36.888
  655    HA   ASP  41           HA       ASP  41  82.812 -19.115  38.134
  656   1HB   ASP  41           HB2      ASP  41  82.462 -22.118  38.051
  657   2HB   ASP  41           HB1      ASP  41  81.325 -21.035  38.855
  658    H    LYS  42           HN       LYS  42  85.049 -21.571  39.305
  659    HA   LYS  42           HA       LYS  42  84.235 -21.283  42.079
  660   1HB   LYS  42           HB2      LYS  42  86.768 -22.444  40.890
  661   2HB   LYS  42           HB1      LYS  42  86.247 -22.624  42.568
  662   1HG   LYS  42           HG2      LYS  42  84.168 -23.714  41.806
  663   2HG   LYS  42           HG1      LYS  42  84.695 -23.544  40.133
  664   1HD   LYS  42           HD2      LYS  42  86.713 -24.914  40.666
  665   2HD   LYS  42           HD1      LYS  42  86.085 -25.148  42.295
  666   1HE   LYS  42           HE2      LYS  42  83.918 -25.866  40.663
  667   2HE   LYS  42           HE1      LYS  42  85.321 -26.523  39.820
  668   1HZ   LYS  42           HZ1      LYS  42  85.430 -26.922  42.655
  669   2HZ   LYS  42           HZ3      LYS  42  84.070 -27.647  41.946
  670   3HZ   LYS  42           HZ2      LYS  42  85.627 -28.040  41.391
  671    H    CYS  43           HN       CYS  43  86.928 -19.948  40.142
  672    HA   CYS  43           HA       CYS  43  87.971 -18.499  42.460
  673   1HB   CYS  43           HB2      CYS  43  88.659 -18.276  39.520
  674   2HB   CYS  43           HB1      CYS  43  89.532 -17.487  40.832
  675    H    GLN  44           HN       GLN  44  85.399 -17.998  40.318
  676    HA   GLN  44           HA       GLN  44  85.527 -15.096  40.144
  677   1HB   GLN  44           HB2      GLN  44  84.203 -16.449  38.546
  678   2HB   GLN  44           HB1      GLN  44  83.176 -16.997  39.863
  679   1HG   GLN  44           HG2      GLN  44  81.825 -15.216  39.369
  680   2HG   GLN  44           HG1      GLN  44  83.054 -14.199  40.106
  681   1HE2  GLN  44          HE22      GLN  44  83.367 -12.515  37.036
  682   2HE2  GLN  44          HE21      GLN  44  83.085 -12.408  38.706
  683    H    LEU  45           HN       LEU  45  83.174 -17.168  41.847
  684    HA   LEU  45           HA       LEU  45  82.607 -15.008  43.753
  685   1HB   LEU  45           HB2      LEU  45  81.645 -17.888  43.723
  686   2HB   LEU  45           HB1      LEU  45  80.977 -16.582  44.699
  687    HG   LEU  45           HG       LEU  45  80.998 -16.694  41.666
  688   1HD1  LEU  45          HD11      LEU  45  79.303 -18.077  43.366
  689   2HD1  LEU  45          HD13      LEU  45  78.404 -16.581  43.122
  690   3HD1  LEU  45          HD12      LEU  45  78.874 -17.564  41.738
  691   1HD2  LEU  45          HD22      LEU  45  80.178 -14.580  43.658
  692   2HD2  LEU  45          HD21      LEU  45  81.061 -14.399  42.142
  693   3HD2  LEU  45          HD23      LEU  45  79.326 -14.699  42.119
  694    H    LYS  46           HN       LYS  46  83.154 -15.060  45.966
  695    HA   LYS  46           HA       LYS  46  85.583 -16.534  46.613
  696   1HB   LYS  46           HB2      LYS  46  83.811 -14.567  48.046
  697   2HB   LYS  46           HB1      LYS  46  84.986 -15.493  48.978
  698   1HG   LYS  46           HG2      LYS  46  86.797 -14.679  47.514
  699   2HG   LYS  46           HG1      LYS  46  85.625 -13.755  46.572
  700   1HD   LYS  46           HD2      LYS  46  85.138 -12.309  48.395
  701   2HD   LYS  46           HD1      LYS  46  85.916 -13.383  49.558
  702   1HE   LYS  46           HE2      LYS  46  87.197 -11.245  48.731
  703   2HE   LYS  46           HE1      LYS  46  88.071 -12.769  48.886
  704   1HZ   LYS  46           HZ1      LYS  46  86.743 -12.231  46.342
  705   2HZ   LYS  46           HZ3      LYS  46  88.139 -11.333  46.691
  706   3HZ   LYS  46           HZ2      LYS  46  88.209 -13.030  46.656
   
  No H/Q in entry =         706