*HEADER   ELECTRON TRANSPORT                      16-JUL-96   1GKS    
*TITLE    ECTOTHIORHODOSPIRA HALOPHILA CYTOCHROME C551 (REDUCED),     
*TITLE   2 NMR, 37 STRUCTURES                                         
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: CYTOCHROME C551;                                 
*COMPND  3 CHAIN: NULL                                                
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: ECTOTHIORHODOSPIRA HALOPHILA;         
*SOURCE  3 STRAIN: BN9626;                                            
*SOURCE  4 CELLULAR_LOCATION: PERIPLASM                               
*KEYWDS   BACTERIAL CYTOCHROME C, HALOPHILIC PURPLE PHOTOTROPHIC      
*KEYWDS  2 BACTERIUM, ELECTRON TRANSPORT                              
*EXPDTA   NMR, 37 STRUCTURES                                          
*AUTHOR   B.BERSCH,M.J.BLACKLEDGE,T.E.MEYER,D.MARION                  
*REVDAT  1   27-JAN-97 1GKS    0                                      

!BIOSYM restraint 1
!
!#remote_prochiral_center
!
#chiral
1:ASXN_1:CA     S
1:GLX_3:CA     S
1:SER_4:CA     S
1:ILE_5:CA     S
1:ILE_5:CB     S
1:TYR_6:CA     S
1:ILE_7:CA     S
1:ILE_7:CB     S
1:ASN_8:CA     S
1:THR_10:CA     S
1:THR_10:CB     R
1:ALA_11:CA     S
1:PRO_12:CA     S
1:THR_13:CA     S
1:THR_13:CB     R
1:CYS_14:CA     R
1:SER_15:CA     S
1:SER_16:CA     S
1:CYS_17:CA     R
1:HIZ_18:CA     S
1:ASX_19:CA     S
1:ARX_20:CA     S
1:VAL_22:CA     S
1:ALA_23:CA     S
1:ALA_25:CA     S
1:PRO_26:CA     S
1:GLX_27:CA     S
1:LEU_28:CA     S
1:ASN_29:CA     S
1:ALA_30:CA     S
1:PRO_31:CA     S
1:GLX_32:CA     S
1:ASX_33:CA     S
1:TRP_34:CA     S
1:ALA_35:CA     S
1:ASX_36:CA     S
1:ARX_37:CA     S
1:PRO_38:CA     S
1:SER_39:CA     S
1:SER_40:CA     S
1:VAL_41:CA     S
1:ASX_42:CA     S
1:GLX_43:CA     S
1:LEU_44:CA     S
1:VAL_45:CA     S
1:GLX_46:CA     S
1:SER_47:CA     S
1:THR_48:CA     S
1:THR_48:CB     R
1:LEU_49:CA     S
1:ALA_50:CA     S
1:LYX_52:CA     S
1:ALA_54:CA     S
1:METX_55:CA     S
1:METX_55:SD     S 
1:PRO_56:CA     S
1:ALA_57:CA     S
1:TYR_58:CA     S
1:ASX_59:CA     S
1:ARX_61:CA     S
1:ALA_62:CA     S
1:ASX_63:CA     S
1:ARX_64:CA     S
1:GLX_65:CA     S
1:ASX_66:CA     S
1:LEU_67:CA     S
1:VAL_68:CA     S
1:LYX_69:CA     S
1:ALA_70:CA     S
1:ILE_71:CA     S
1:ILE_71:CB     S
1:GLX_72:CA     S
1:TYR_73:CA     S
1:MET_74:CA     S
1:LEU_75:CA     S
1:SER_76:CA     S
1:THR_77:CA     S
1:THR_77:CB     R
1:LEUC_78:CA     S
!
! NOE DISTANCES c551 red 
!The following lines contain the NOE distance information
!Column 1 and 2 identify the two protons between which the NOE has been observed
!Column 3 gives the lower bound, -1.000 corresponds to the sum of the two van der Waals radii
!Column 4 gives the effective upper bound after correction for pseudoatoms and the addition of an error
!of 20% to each upper distance bound extracted from the NOESY spectrum.                
!Column 5 is the original upper bound as extracted from the NOESY spectrum.
!Columns 6 and 7 are the force constants in kcal/mol A2 for the lower and the upper bound, respectively.
!A value of 25 kcal/mol A2 has been used for the rMD refinement (see the original publication for more
!details on the force constants used).
!Column 8 corresponds to the maximum force.
#NOE_distance
!HN residues 1-10
1:GLY_2:HN     1:ASXN_1:HA          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:GLY_2:HN     1:GLY_2:HA1          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:GLY_2:HN     1:GLY_2:HA2          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:GLY_2:HN     1:ASXN_1:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:GLY_2:HN     1:ASXN_1:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:GLY_2:HN     1:GLX_3:HB2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:GLX_3:HN     1:SER_4:HA          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:GLX_3:HN     1:GLY_2:HA1          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:GLX_3:HN     1:GLY_2:HA2          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:GLX_3:HN     1:ASXN_1:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:GLX_3:HN     1:ASXN_1:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:GLX_3:HN     1:GLX_3:HA          -1.000     3.220     2.800     50.00     50.00     1000.00     0.00
1:GLX_3:HN     1:GLX_3:HG1          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:GLX_3:HN     1:GLX_3:HG2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:GLX_3:HN     1:GLX_3:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:GLX_3:HN     1:GLX_3:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:SER_4:HN     1:ASXN_1:HA          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:SER_4:HN     1:SER_4:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:SER_4:HN     1:SER_4:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:SER_4:HN     1:SER_4:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:SER_4:HN      1:GLY_2:HA1          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:SER_4:HN     1:GLX_3:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:SER_4:HN     1:GLX_3:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:SER_4:HN     1:GLX_3:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:SER_4:HN     1:GLX_3:HG1          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:SER_4:HN     1:ILE_5:HD*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:SER_4:HN     1:ILE_7:HD*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:ILE_7:HN     1:ASN_8:HA          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:ILE_7:HN     1:SER_4:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:ILE_7:HN     1:TYR_6:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:ILE_7:HN     1:ILE_5:HA          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:ILE_7:HN     1:ILE_7:HA          -1.000     3.220     2.800     50.00     50.00     1000.00     0.00
1:ILE_7:HN     1:TYR_6:HB1          -1.000     4.370     3.800    50.00     50.00    1000.00     0.00
1:ILE_7:HN     1:TYR_6:HB2          -1.000     4.370     3.800    50.00     50.00    1000.00     0.00
1:ILE_7:HN     1:GLX_3:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:ILE_7:HN     1:ILE_7:HG11          -1.000     3.680     3.200     50.00     50.00    1000.00     0.00     
1:ILE_7:HN     1:ILE_7:HG12          -1.000     3.680     3.200     50.00     50.00    1000.00     0.00     
1:ILE_7:HN     1:ILE_7:HB          -1.000     3.000     2.600     50.00     50.00    1000.00     0.00     
1:ILE_7:HN     1:ILE_5:HG2*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:ILE_7:HN     1:ILE_7:HG2*          -1.000     4.680     3.200     50.00     50.00    1000.00     0.00     
1:ILE_7:HN     1:ILE_7:HD*          -1.000     4.680     3.200     50.00     50.00    1000.00     0.00     
1:TYR_6:HN     1:ALA_70:HA          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:TYR_6:HN     1:SER_4:HA          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:TYR_6:HN     1:TYR_6:HA          -1.000     3.680     3.200     50.00     50.00     1000.00     0.00
1:TYR_6:HN     1:ILE_5:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:TYR_6:HN     1:GLY_2:HA1          -1.000     6.900     6.000     50.00     50.00     1000.00     0.00
1:TYR_6:HN     1:ILE_7:HA          -1.000     6.900     6.000     50.00     50.00     1000.00     0.00
1:TYR_6:HN     1:TYR_6:HB1          -1.000     3.000     2.600     50.00     50.00    1000.00     0.00     
1:TYR_6:HN     1:TYR_6:HB2          -1.000     3.000     2.600     50.00     50.00    1000.00     0.00     
1:TYR_6:HN     1:GLX_3:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:TYR_6:HN     1:ILE_5:HB          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:TYR_6:HN     1:GLX_3:HG2          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:TYR_6:HN     1:ILE_5:HG2*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:TYR_6:HN     1:ILE_5:HD*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:ILE_5:HN     1:SER_4:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:ILE_5:HN     1:SER_4:HB1     -1.000     4.370     3.800     50.00     50.00    1000.00     0.00          
1:ILE_5:HN     1:SER_4:HB2     -1.000     4.370     3.800     50.00     50.00    1000.00     0.00          
1:ILE_5:HN     1:TYR_6:HB1          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00      
1:ILE_5:HN     1:TYR_6:HB2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00      
1:ILE_5:HN     1:GLY_2:HA1              -1.000     6.900     6.000    50.00     50.00    1000.00     0.00
1:ILE_5:HN     1:ILE_5:HB          -1.000     3.000     2.600     50.00     50.00    1000.00     0.00     
1:ILE_5:HN     1:ILE_5:HG11          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:ILE_5:HN     1:ILE_5:HG12          -1.000     3.000     2.600     50.00     50.00    1000.00     0.00     
1:ILE_5:HN     1:ILE_7:HB               -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:ILE_5:HN     1:ILE_5:HG2*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:ILE_5:HN     1:ILE_5:HD*          -1.000     4.000     2.600     50.00     50.00    1000.00     0.00     
1:ILE_5:HN     1:ILE_7:HD*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:ASN_8:HN     1:ASN_8:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:ASN_8:HN     1:GLY_9:HA2          -1.000     6.900     6.000     50.00     50.00     1000.00     0.00
1:ASN_8:HN     1:GLY_9:HA1          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:ASN_8:HN     1:SER_4:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:ASN_8:HN     1:SER_4:HB2          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:ASN_8:HN     1:ILE_5:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:ASN_8:HN     1:ILE_7:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:ASN_8:HN     1:ASN_8:HB2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:ASN_8:HN     1:ASN_8:HB1          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:ASN_8:HN     1:ILE_7:HG11          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:ASN_8:HN     1:ILE_7:HG12          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:ASN_8:HN     1:ILE_7:HB          -1.000     3.000     2.600     50.00     50.00    1000.00     0.00     
1:ASN_8:HN     1:THR_13:HG2*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:ASN_8:HN     1:ILE_5:HG2*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:ASN_8:HN     1:ILE_7:HG2*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:GLY_9:HN     1:GLY_9:HA1          -1.000     2.900     2.700     50.00     50.00     1000.00     0.00
1:GLY_9:HN     1:GLY_9:HA2           2.700     4.370     3.800     50.00     50.00     1000.00     0.00  
1:GLY_9:HN     1:ILE_5:HA          -1.000     3.680     3.200     50.00     50.00     1000.00     0.00
1:GLY_9:HN     1:ASN_8:HB2     -1.000     6.900     6.000     50.00     50.00    1000.00     0.00          
1:GLY_9:HN     1:ASN_8:HB1     -1.000     6.900     6.000     50.00     50.00    1000.00     0.00          
1:GLY_9:HN     1:ILE_7:HB          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:GLY_9:HN     1:THR_13:HG2*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:GLY_9:HN     1:THR_10:HG2*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:GLY_9:HN     1:ILE_5:HG2*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:GLY_9:HN     1:ILE_7:HG2*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:GLY_9:HN     1:ASN_8:HA           2.900     4.370     3.800     50.00     50.00     1000.00     0.00
1:THR_10:HN     1:ASN_8:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:THR_10:HN     1:THR_10:HA           2.500     3.680     3.200     50.00     50.00     1000.00     0.00     
1:THR_10:HN     1:THR_10:HB          -1.000     3.680     3.200     50.00     50.00     1000.00     0.00
1:THR_10:HN     1:GLY_9:HA2           2.800     5.750     5.000     50.00     50.00     1000.00     0.00
1:THR_10:HN     1:GLY_9:HA1           2.800     5.750     5.000     50.00     50.00     1000.00     0.00
1:THR_10:HN     1:ILE_5:HA           3.500     5.750     5.000     50.00     50.00    1000.00     0.00
1:THR_10:HN     1:TYR_6:HA           4.000     8.750     5.000     50.00     50.00    1000.00     0.00
1:THR_10:HN     1:THR_13:HG2*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:THR_10:HN     1:THR_10:HG2*          -1.000     4.000     2.600     50.00     50.00    1000.00     0.00     
1:THR_10:HN     1:ALA_11:HB*         -1.000     6.750     5.000     50.00     50.00    1000.00     0.00
1:THR_10:HN     1:ILE_5:HG2*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
!HN residues 11-20
1:ALA_11:HA     1:PRO_12:HA          -1.000     3.000     2.600     50.00     50.00     1000.00     0.00  
1:ALA_11:HN     1:PRO_12:HA          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:ALA_11:HN     1:ALA_11:HA          -1.000     3.220     2.800     50.00     50.00     1000.00     0.00
1:ALA_11:HN     1:THR_10:HA          -1.000     2.880     2.500     50.00     50.00     1000.00     0.00
1:ALA_11:HN     1:THR_10:HB          -1.000     3.220     2.800     50.00     50.00    1000.00     0.00     
1:ALA_11:HN     1:ALA_11:HB*          -1.000     4.000     2.600     50.00     50.00    1000.00     0.00     
1:ALA_11:HN     1:THR_10:HG2*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:THR_13:HN     1:PRO_12:HA          -1.000     3.000     2.600     50.00     50.00     1000.00     0.00
1:THR_13:HN     1:ALA_11:HA          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:THR_13:HN     1:THR_13:HA          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00 
1:THR_13:HN     1:THR_13:HB          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00 
1:THR_13:HN     1:HEM_0C:HMB*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:THR_13:HN     1:PRO_12:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:THR_13:HN     1:PRO_12:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:THR_13:HN     1:PRO_12:HG1          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:THR_13:HN     1:PRO_12:HG2          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:THR_13:HN     1:THR_13:HG2*          -1.000     4.000     2.600     50.00     50.00    1000.00     0.00     
1:THR_13:HN     1:ALA_11:HB*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:CYS_14:HN     1:HEM_0C:HAA          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:CYS_14:HN     1:CYS_14:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:CYS_14:HN     1:ASN_8:HA          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:CYS_14:HN     1:THR_13:HA          -1.000     3.680     3.200     50.00     50.00     1000.00     0.00
1:CYS_14:HN     1:THR_13:HB          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:CYS_14:HN     1:THR_13:HG2*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:CYS_14:HN     1:HEM_0C:HBA*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00      
1:SER_15:HN     1:TYR_6:HD2          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:SER_15:HN     1:CYS_14:HA          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:SER_15:HN     1:ASN_8:HA          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:SER_15:HN     1:THR_13:HA          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:SER_15:HN     1:THR_13:HB          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:SER_15:HN     1:SER_16:HA          -1.000     6.900     6.000     50.00     50.00     1000.00     0.00
1:SER_15:HN     1:TYR_6:HA          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:SER_15:HN     1:SER_15:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:SER_15:HN     1:SER_15:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:SER_15:HN     1:ILE_7:HA          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:SER_15:HN     1:SER_15:HA          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00 
1:SER_15:HN     1:CYS_14:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:SER_15:HN     1:CYS_14:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00      
1:SER_15:HN     1:ILE_7:HG2*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:SER_16:HN     1:THR_13:HA          -1.000     6.900     6.000     50.00     50.00     1000.00     0.00
1:SER_16:HN     1:THR_13:HB          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00      
1:SER_16:HN     1:SER_16:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:SER_16:HN     1:SER_16:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:SER_16:HN     1:SER_16:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:SER_16:HN     1:HEM_0C:HMB*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:SER_16:HN     1:SER_15:HB1          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:SER_16:HN     1:SER_15:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:CYS_17:HN     1:CYS_14:HA          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:CYS_17:HN     1:SER_16:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:CYS_17:HN     1:HEM_0C:HMB*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:CYS_17:HN     1:SER_15:HA          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:CYS_17:HN     1:HEM_0C:HBB*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:CYS_17:HN     1:HIZ_18:HA          -1.000     6.900     6.000     50.00     50.00     1000.00     0.00
1:CYS_17:HN     1:CYS_17:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:CYS_17:HN     1:CYS_17:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00      
1:CYS_17:HN     1:HIZ_18:HB1          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:CYS_17:HN     1:HIZ_18:HB2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:CYS_17:HN     1:VAL_22:HG1*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:CYS_17:HN     1:VAL_22:HG2*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:CYS_17:HN     1:HIZ_18:HD2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:CYS_17:HN     1:ALA_25:HB*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:HIZ_18:HN     1:TYR_6:HE2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:HIZ_18:HN     1:CYS_14:HA          -1.000     6.900     6.000     50.00     50.00     1000.00     0.00
1:HIZ_18:HN     1:SER_16:HA          -1.000     6.900     6.000     50.00     50.00     1000.00     0.00
1:HIZ_18:HN     1:HEM_0C:HMB*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:HIZ_18:HN     1:SER_15:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:HIZ_18:HN     1:ASX_19:HB2          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:HIZ_18:HN     1:HIZ_18:HA          -1.000     3.680     3.200     50.00     50.00     1000.00     0.00
1:HIZ_18:HN     1:CYS_17:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:HIZ_18:HN     1:CYS_17:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00      
1:HIZ_18:HN     1:HIZ_18:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:HIZ_18:HN     1:HIZ_18:HB2          -1.000     3.220     2.800     50.00     50.00    1000.00     0.00     
1:HIZ_18:HN     1:VAL_22:HG1*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:HIZ_18:HN     1:HIZ_18:HD2          -1.000     3.000     2.600     50.00     50.00    1000.00     0.00     
1:HIZ_18:HN     1:MET_74:HE*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:ASX_19:HN     1:ARX_20:HA          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00 
1:ASX_19:HN     1:ASX_19:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:ASX_19:HN     1:SER_15:HA          -1.000     3.680     3.200     50.00     50.00     1000.00     0.00
1:ASX_19:HN     1:HIZ_18:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:ASX_19:HN     1:HIZ_18:HB1          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:ASX_19:HN     1:HIZ_18:HB2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:ASX_19:HN     1:VAL_22:HG1*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00      
1:ASX_19:HN     1:ASX_19:HB1          -1.000     3.000     2.600     50.00     50.00    1000.00     0.00     
1:ASX_19:HN     1:ASX_19:HB2          -1.000     3.000     2.600     50.00     50.00    1000.00     0.00     
1:ASX_19:HN     1:CYS_17:HB1          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:ASX_19:HN     1:CYS_17:HB2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:ARX_20:HN     1:ASX_19:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:ARX_20:HN     1:ARX_20:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:ARX_20:HN     1:GLY_21:HA1          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:ARX_20:HN     1:GLY_21:HA2          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:ARX_20:HN     1:HIZ_18:HA          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
!HN residues 21-30
1:GLY_21:HN     1:GLX_27:HA          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00      
1:GLY_21:HN     1:GLY_21:HA2          -1.000     3.000     2.600     50.00     50.00     1000.00     0.00
1:GLY_21:HN     1:GLY_21:HA1          -1.000     3.220     2.800     50.00     50.00     1000.00     0.00
1:GLY_21:HN     1:HIZ_18:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:GLY_21:HN     1:ARX_20:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:GLY_21:HN     1:GLX_27:HG2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:GLY_21:HN     1:ARX_20:HB1          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:GLY_21:HN     1:ARX_20:HB2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:GLY_21:HN     1:GLX_27:HG1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:GLY_21:HN     1:VAL_22:HG1*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:GLY_21:HN     1:ALA_25:HB*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:VAL_22:HN     1:CYS_17:HA           -1.000     4.370     3.800     50.00     50.00    1000.00     0.00
1:VAL_22:HN     1:GLY_21:HA1          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:VAL_22:HN     1:GLY_21:HA2          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:VAL_22:HN     1:HIZ_18:HA          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:VAL_22:HN     1:CYS_17:HB2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:VAL_22:HN     1:VAL_22:HB          -1.000     3.000     2.600     50.00     50.00    1000.00     0.00     
1:VAL_22:HN     1:ARX_20:HB2          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:VAL_22:HN     1:ALA_23:HB*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:VAL_22:HN     1:CYS_17:HB1          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00      
1:VAL_22:HN     1:VAL_22:HG1*          -1.000     4.000     2.600     50.00     50.00    1000.00     0.00     
1:VAL_22:HN     1:VAL_22:HG2*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00      
1:VAL_22:HN     1:ALA_25:HB*          -1.000     4.000     2.600     50.00     50.00    1000.00     0.00     
1:ALA_23:HN     1:ALA_23:HA          -1.000     2.500     2.200     50.00     50.00     1000.00     0.00
1:ALA_23:HN     1:VAL_22:HA          -1.000     2.700     2.300     50.00     50.00     1000.00     0.00
1:ALA_23:HN     1:ALA_23:HB*          -1.000     5.025     3.500     50.00     50.00    1000.00     0.00     
1:ALA_23:HN     1:VAL_22:HG2*          -1.000     4.680     3.200     50.00     50.00    1000.00     0.00     
1:ALA_23:HN     1:VAL_22:HG1*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:GLY_24:HN     1:GLY_24:HA1          -1.000     2.880     2.500     50.00     50.00     1000.00     0.00
1:GLY_24:HN     1:GLY_24:HA2          -1.000     3.220     2.800     50.00     50.00     1000.00     0.00
1:GLY_24:HN     1:ALA_23:HA           2.000     3.220     2.800     50.00     50.00     1000.00     0.00
1:GLY_24:HN     1:HEM_0C:HMC*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:GLY_24:HN     1:ALA_23:HB*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:GLY_24:HN     1:VAL_22:HG1*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:GLY_24:HN     1:ALA_25:HB*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:ALA_25:HN     1:GLY_24:HA1          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00  
1:ALA_25:HN     1:GLY_24:HA2          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:ALA_25:HN     1:GLY_21:HA1          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00  
1:ALA_25:HN     1:GLY_21:HA2          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:ALA_25:HN     1:HEM_0C:HMC*          -1.000     4.000     2.600     50.00     50.00    1000.00     0.00     
1:ALA_25:HN     1:ALA_25:HA          -1.000     3.220     2.800     50.00     50.00     1000.00     0.00
1:ALA_25:HN     1:ALA_25:HB*          -1.000     4.000     2.600     50.00     50.00    1000.00     0.00     
1:ALA_25:HN     1:ALA_23:HB*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00
1:GLX_27:HN     1:GLX_27:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:GLX_27:HN     1:PRO_26:HA          -1.000     2.880     2.500     50.00     50.00     1000.00     0.00
1:GLX_27:HN     1:ASX_33:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:GLX_27:HN     1:ASX_33:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:GLX_27:HN     1:GLX_27:HG1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:GLX_27:HN     1:GLX_27:HG2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:GLX_27:HN     1:GLX_27:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:GLX_27:HN     1:GLX_27:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00      
1:GLX_27:HN     1:ALA_30:HB*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:GLX_27:HN     1:PRO_26:HB2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:GLX_27:HN     1:PRO_26:HG2          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:GLX_27:HN     1:PRO_26:HG1          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:GLX_27:HN     1:PRO_26:HB1          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:GLX_27:HN     1:ALA_25:HB*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:LEU_28:HN     1:GLX_27:HA          -1.000     3.000     2.600     50.00     50.00     1000.00     0.00
1:LEU_28:HN     1:LEU_28:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:LEU_28:HN     1:GLX_27:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:LEU_28:HN     1:GLX_27:HB2          -1.000     3.000     2.600     50.00     50.00    1000.00     0.00     
1:LEU_28:HN     1:GLX_27:HG1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:LEU_28:HN     1:GLX_27:HG2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:LEU_28:HN     1:LEU_28:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00      
1:LEU_28:HN     1:LEU_28:HB2          -1.000     3.000     2.600     50.00     50.00    1000.00     0.00     
1:LEU_28:HN     1:LEU_28:HG          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00      
1:LEU_28:HN     1:ALA_30:HB*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:LEU_28:HN     1:THR_77:HG2*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:ASN_29:HN     1:ASN_29:HA          -1.000     2.880     2.500     50.00     50.00     1000.00     0.00
1:ASN_29:HN     1:THR_77:HB          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:ASN_29:HN     1:THR_77:HA          -1.000     5.180     4.500     50.00     50.00    1000.00     0.00     
1:ASN_29:HN     1:LEUC_78:HA          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:ASN_29:HN     1:LEU_28:HA          -1.000     3.000     2.600     50.00     50.00     1000.00     0.00
1:ASN_29:HN     1:ASN_29:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:ASN_29:HN     1:ASN_29:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:ASN_29:HN     1:LEU_28:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:ASN_29:HN     1:LEU_28:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00      
1:ASN_29:HN     1:LEU_28:HG          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00      
1:ASN_29:HN     1:ALA_30:HB*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:ASN_29:HN     1:THR_77:HG2*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:ASN_29:HN     1:LEU_28:HD1*          -1.000     6.180     4.500     50.00     50.00    1000.00     0.00     
1:ASN_29:HN     1:LEU_28:HD2*          -1.000     6.180     4.500     50.00     50.00    1000.00     0.00      
1:ASN_29:HN     1:LEUC_78:HD1*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:ASN_29:HN     1:LEUC_78:HD2*          -1.000     4.000     2.600     50.00     50.00    1000.00     0.00
1:ALA_30:HN     1:ALA_30:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:ALA_30:HN     1:ASN_29:HA          -1.000     3.220     2.800     50.00     50.00     1000.00     0.00
1:ALA_30:HN     1:PRO_31:HA          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:ALA_30:HN     1:PRO_31:HD2          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:ALA_30:HN     1:PRO_31:HD1          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:ALA_30:HN     1:LEU_28:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:ALA_30:HN     1:ASN_29:HB1          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:ALA_30:HN     1:ASN_29:HB2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:ALA_30:HN     1:ALA_30:HB*          -1.000     4.000     2.600     50.00     50.00    1000.00     0.00     
1:ALA_30:HN     1:LEUC_78:HD1*         -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:ALA_30:HN     1:LEUC_78:HD2*         -1.000     4.000     2.600     50.00     50.00    1000.00     0.00     
! HN residues 31-40
1:GLX_32:HN     1:ALA_30:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:GLX_32:HN     1:GLX_32:HA          -1.000     3.000     2.600     50.00     50.00     1000.00     0.00
1:GLX_32:HN     1:PRO_31:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:GLX_32:HN     1:PRO_31:HD1          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:GLX_32:HN     1:PRO_31:HD2          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00 
1:GLX_32:HN     1:PRO_31:HB2          -1.000     3.680     3.200     50.00     50.00    1000.00     0.00     
1:GLX_32:HN     1:GLX_32:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00       
1:GLX_32:HN     1:GLX_32:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00       
1:GLX_32:HN     1:ALA_35:HB*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00      
1:GLX_32:HN     1:ALA_30:HB*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:GLX_32:HN     1:LEUC_78:HD2*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00      
1:GLX_32:HN     1:LEUC_78:HD1*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00      
1:ASX_33:HN     1:ALA_30:HA          -1.000     6.900     6.000     50.00     50.00     1000.00     0.00
1:ASX_33:HN     1:ASX_33:HA          -1.000     3.000     2.600     50.00     50.00     1000.00     0.00
1:ASX_33:HN     1:PRO_31:HA          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:ASX_33:HN     1:PRO_26:HA          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00 
1:ASX_33:HN     1:ASX_33:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00      
1:ASX_33:HN     1:ASX_33:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:ASX_33:HN     1:GLX_32:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:ASX_33:HN     1:GLX_32:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:ASX_33:HN     1:ALA_30:HB*          -1.000     4.000     2.600     50.00     50.00    1000.00     0.00     
1:ASX_33:HN     1:TRP_34:HD1         -1.000     4.400     3.800     50.00     50.00     1000.00     0.00
1:ASX_33:HN     1:LEUC_78:HD1*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00      
1:ASX_33:HN     1:LEUC_78:HD2*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00      
1:TRP_34:HN     1:ASX_33:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:TRP_34:HN     1:TRP_34:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:TRP_34:HN     1:GLX_32:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:TRP_34:HN     1:ALA_35:HA          -1.000     6.900     6.000    50.00     50.00    1000.00     0.00 
1:TRP_34:HN     1:PRO_31:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:TRP_34:HN     1:TRP_34:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:TRP_34:HN     1:TRP_34:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00      
1:TRP_34:HN     1:ASX_33:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:TRP_34:HN     1:ASX_33:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:TRP_34:HN     1:ALA_35:HB*          -1.000     4.670     3.200     50.00     50.00    1000.00     0.00     
1:TRP_34:HN     1:LEUC_78:HD1*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:TRP_34:HN     1:LEUC_78:HD2*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:ALA_35:HN     1:ASX_33:HA          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:ALA_35:HN     1:TRP_34:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:ALA_35:HN     1:ALA_35:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:ALA_35:HN     1:GLX_32:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:ALA_35:HN     1:TRP_34:HB2           2.600     5.750     5.000     50.00     50.00    1000.00     0.00     
1:ALA_35:HN     1:TRP_34:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:ALA_35:HN     1:ALA_35:HB*          -1.000     4.680     3.200     50.00     50.00    1000.00     0.00     
1:ALA_35:HN     1:LEUC_78:HD1*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:ALA_35:HN     1:LEUC_78:HD2*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:ASX_36:HN     1:ASX_36:HA          -1.000     3.680     3.200     50.00     50.00     1000.00     0.00
1:ASX_36:HN     1:TRP_34:HA          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:ASX_36:HN     1:ALA_35:HA          -1.000     3.680     3.200     50.00     50.00     1000.00     0.00
1:ASX_36:HN     1:ASX_36:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:ASX_36:HN     1:ASX_36:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00      
1:ASX_36:HN     1:ARX_37:HB1          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00      
1:ASX_36:HN     1:ARX_37:HG*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00      
1:ASX_36:HN     1:ALA_35:HB*           2.500     4.220     2.800     50.00     50.00    1000.00     0.00
1:ARX_37:HN     1:ARX_37:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:ARX_37:HN     1:ALA_35:HA           4.400     8.000     8.000     50.00     50.00     1000.00     0.00
1:ARX_37:HN     1:PRO_38:HA           5.000     10.000     10.000     50.00     50.00     1000.00     0.00
1:ARX_37:HN     1:PRO_38:HD1          4.000     10.000     10.000     50.00     50.00     1000.00     0.00
1:ARX_37:HN     1:PRO_38:HD2          4.000     10.000     10.000     50.00     50.00     1000.00     0.00
1:ARX_37:HN     1:ASX_36:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:ARX_37:HN     1:TRP_34:HA          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:ARX_37:HN     1:ASX_36:HB1          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:ARX_37:HN     1:ASX_36:HB2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:ARX_37:HN     1:ARX_37:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:ARX_37:HN     1:ARX_37:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:ARX_37:HN     1:ARX_37:HG*          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:ARX_37:HN     1:ALA_35:HB*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:SER_39:HN     1:SER_39:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:SER_39:HN     1:SER_39:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:SER_39:HN     1:SER_39:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:SER_39:HN     1:PRO_38:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:SER_39:HN     1:PRO_38:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:SER_39:HN     1:PRO_38:HA          -1.000     3.000     2.600     50.00     50.00     1000.00     0.00
1:SER_40:HN     1:SER_40:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00 
1:SER_40:HN     1:SER_39:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00 
1:SER_40:HN     1:PRO_38:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:SER_40:HN     1:SER_40:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:SER_40:HN     1:SER_40:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:SER_40:HN     1:VAL_41:HA          -1.000     6.900     6.000     50.00     50.00     1000.00     0.00
1:SER_40:HN     1:PRO_38:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:SER_40:HN     1:PRO_38:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00      
1:SER_40:HN     1:LEU_44:HG           3.500     6.900     6.000     50.00     50.00    1000.00     0.00     
!HN residues 41_50
1:VAL_41:HN     1:SER_40:HA          -1.000     3.000     2.600     50.00     50.00     1000.00     0.00
1:VAL_41:HN     1:SER_40:HB2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:VAL_41:HN     1:VAL_41:HA          -1.000     3.680     3.200     50.00     50.00     1000.00     0.00 
1:VAL_41:HN     1:VAL_41:HB          -1.000     3.000     2.600     50.00     50.00    1000.00     0.00     
1:VAL_41:HN     1:LEU_44:HD2*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:VAL_41:HN     1:LEU_44:HD1*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:VAL_41:HN     1:VAL_41:HG2*          -1.000     4.680     3.200     50.00     50.00    1000.00     0.00     
1:VAL_41:HN     1:VAL_41:HG1*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00      
1:VAL_41:HN     1:LEU_75:HD2*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:ASX_42:HN     1:SER_40:HA          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00 
1:ASX_42:HN     1:ASX_42:HA          -1.000     3.000     2.600     50.00     50.00     1000.00     0.00
1:ASX_42:HN     1:GLX_43:HA          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:ASX_42:HN     1:SER_40:HB1          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:ASX_42:HN     1:SER_40:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:ASX_42:HN     1:VAL_41:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:ASX_42:HN     1:ASX_42:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:ASX_42:HN     1:ASX_42:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:ASX_42:HN     1:VAL_41:HB          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:ASX_42:HN     1:VAL_41:HG1*          -1.000     6.180     4.500     50.00     50.00    1000.00     0.00     
1:ASX_42:HN     1:VAL_41:HG2*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:ASX_42:HN     1:VAL_45:HG1*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:ASX_42:HN     1:LEU_75:HD2*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:GLX_43:HN     1:ASX_42:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:GLX_43:HN     1:GLX_43:HA          -1.000     3.000     2.600     50.00     50.00     1000.00     0.00
1:GLX_43:HN     1:SER_40:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:GLX_43:HN     1:SER_40:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:GLX_43:HN     1:VAL_41:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:GLX_43:HN     1:ASX_42:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:GLX_43:HN     1:ASX_42:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:GLX_43:HN     1:GLX_43:HG1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:GLX_43:HN     1:GLX_43:HG2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:GLX_43:HN     1:GLX_43:HB*          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:GLX_43:HN     1:LEU_44:HG          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:GLX_43:HN     1:LEU_44:HD1*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:GLX_43:HN     1:LEU_44:HD2*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:GLX_43:HN     1:VAL_41:HG1*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:GLX_43:HN     1:VAL_41:HG2*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:GLX_43:HN     1:VAL_45:HG1*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:LEU_44:HN     1:LEU_44:HA          -1.000     3.680     3.200     50.00     50.00     1000.00     0.00
1:LEU_44:HN     1:GLX_43:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:LEU_44:HN     1:SER_40:HB1          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:LEU_44:HN     1:SER_40:HB2          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:LEU_44:HN     1:VAL_45:HA          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:LEU_44:HN     1:VAL_41:HA          -1.000     3.680     3.200     50.00     50.00     1000.00     0.00
1:LEU_44:HN     1:PRO_38:HB2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:LEU_44:HN     1:GLX_46:HB*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:LEU_44:HN     1:LEU_44:HB1          -1.000     3.220     2.800     50.00     50.00    1000.00     0.00
1:LEU_44:HN     1:LEU_44:HB2          -1.000     3.680     3.200     50.00     50.00    1000.00     0.00
1:LEU_44:HN     1:LEU_44:HG          -1.000     3.000     2.600     50.00     50.00    1000.00     0.00
1:LEU_44:HN     1:PRO_38:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:LEU_44:HN     1:LEU_44:HD1*          -1.000     4.680     3.200     50.00     50.00    1000.00     0.00
1:LEU_44:HN     1:LEU_44:HD2*          -1.000     4.680     3.200     50.00     50.00    1000.00     0.00
1:LEU_44:HN     1:ILE_71:HG2*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:LEU_44:HN     1:ILE_71:HD*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:LEU_44:HN     1:VAL_41:HG1*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:LEU_44:HN     1:VAL_41:HG2*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:LEU_44:HN     1:VAL_45:HG1*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:LEU_44:HN     1:LEU_75:HD2*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:VAL_45:HN     1:GLX_43:HA          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:VAL_45:HN     1:VAL_45:HA          -1.000     3.000     2.600     50.00     50.00     1000.00     0.00
1:VAL_45:HN     1:VAL_41:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:VAL_45:HN     1:GLX_46:HG1          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:VAL_45:HN     1:GLX_46:HG2          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:VAL_45:HN     1:LEU_44:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:VAL_45:HN     1:VAL_45:HB          -1.000     3.680     3.200     50.00     50.00    1000.00     0.00     
1:VAL_45:HN     1:LEU_44:HG          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:VAL_45:HN     1:ILE_71:HD*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:VAL_45:HN     1:ILE_71:HG2*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:VAL_45:HN     1:LEU_44:HD1*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:VAL_45:HN     1:VAL_41:HG1*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:VAL_45:HN     1:VAL_41:HG2*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:VAL_45:HN     1:VAL_45:HG1*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:VAL_45:HN     1:VAL_45:HG2*          -1.000     6.180     4.500     50.00     50.00    1000.00     0.00     
1:GLX_46:HN     1:LEU_44:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:GLX_46:HN     1:GLX_43:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00 
1:GLX_46:HN     1:GLX_46:HA          -1.000     3.000     2.600     50.00     50.00     1000.00     0.00
1:GLX_46:HN     1:VAL_45:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:GLX_46:HN     1:SER_47:HA          -1.000     6.900     6.000     50.00     50.00     1000.00     0.00
1:GLX_46:HN     1:GLX_46:HG1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:GLX_46:HN     1:GLX_46:HG2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:GLX_46:HN     1:VAL_45:HB          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:GLX_46:HN     1:GLX_46:HB*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:GLX_46:HN     1:ILE_71:HD*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:GLX_46:HN     1:VAL_45:HG1*          -1.000     4.680     3.200     50.00     50.00    1000.00     0.00     
1:GLX_46:HN     1:VAL_45:HG2*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:GLX_46:HN     1:LEU_49:HD2*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:SER_47:HN     1:LEU_44:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:SER_47:HN     1:GLX_43:HA          -1.000     6.900     6.000     50.00     50.00     1000.00     0.00
1:SER_47:HN     1:SER_47:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:SER_47:HN     1:SER_47:HB2          -1.000     3.220     2.800     50.00     50.00    1000.00     0.00     
1:SER_47:HN     1:VAL_45:HA          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:SER_47:HN     1:SER_47:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:SER_47:HN     1:THR_48:HB          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:SER_47:HN     1:LYX_52:HE*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00      
1:SER_47:HN     1:GLX_46:HG1          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:SER_47:HN     1:GLX_46:HG2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00      
1:SER_47:HN     1:GLX_46:HB*          -1.000     4.000     2.600     50.00     50.00    1000.00     0.00     
1:SER_47:HN     1:THR_48:HA          -1.000     6.900     6.000     50.00     50.00     1000.00     0.00
1:SER_47:HN     1:LEU_44:HD1*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:SER_47:HN     1:VAL_45:HG1*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:SER_47:HN     1:LEU_49:HD2*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:SER_47:HN     1:THR_48:HG2*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:THR_48:HN     1:LEU_44:HA          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:THR_48:HN     1:SER_47:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:THR_48:HN     1:SER_47:HB2          -1.000     3.680     3.200     50.00     50.00    1000.00     0.00     
1:THR_48:HN     1:VAL_45:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:THR_48:HN     1:HEM_0C:HMD*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:THR_48:HN     1:LEU_49:HA          -1.000     6.900     6.000     50.00     50.00     1000.00     0.00
1:THR_48:HN     1:THR_48:HB          -1.000     3.000     2.600     50.00     50.00    1000.00     0.00     
1:THR_48:HN     1:VAL_45:HB          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:THR_48:HN     1:GLX_46:HB*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:THR_48:HN     1:LEU_49:HB2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:THR_48:HN     1:LEU_49:HG          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:THR_48:HN     1:THR_48:HG1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:THR_48:HN     1:VAL_45:HG1*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:THR_48:HN     1:VAL_45:HG2*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:THR_48:HN     1:LEU_49:HD1*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:THR_48:HN     1:LEU_49:HD2*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:THR_48:HN     1:THR_48:HG2*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:LEU_49:HN     1:ALA_50:HA          -1.000     6.900     6.000     50.00     50.00     1000.00     0.00
1:LEU_49:HN     1:GLX_46:HA          -1.000     3.220     2.800     50.00     50.00     1000.00     0.00
1:LEU_49:HN     1:VAL_45:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:LEU_49:HN     1:SER_47:HA          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:LEU_49:HN     1:LEU_49:HA          -1.000     3.220     2.800     50.00     50.00     1000.00     0.00
1:LEU_49:HN     1:THR_48:HB          -1.000     3.000     2.600     50.00     50.00    1000.00     0.00     
1:LEU_49:HN     1:GLX_46:HB*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:LEU_49:HN     1:THR_48:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:LEU_49:HN     1:LEU_49:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:LEU_49:HN     1:LEU_49:HB2          -1.000     3.000     2.600     50.00     50.00    1000.00     0.00     
1:LEU_49:HN     1:LEU_49:HG          -1.000     3.000     2.600     50.00     50.00    1000.00     0.00     
1:LEU_49:HN     1:THR_48:HG1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:LEU_49:HN     1:VAL_45:HG1*          -1.000     6.180     4.500     50.00     50.00    1000.00     0.00     
1:LEU_49:HN     1:VAL_45:HG2*          -1.000     6.180     4.500     50.00     50.00    1000.00     0.00     
1:LEU_49:HN     1:LEU_49:HD1*          -1.000     4.680     3.200     50.00     50.00    1000.00     0.00     
1:LEU_49:HN     1:LEU_49:HD2*          -1.000     4.680     3.200     50.00     50.00    1000.00     0.00     
1:LEU_49:HN     1:LEU_67:HD1*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:LEU_49:HN     1:LEU_67:HD2*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:LEU_49:HN     1:THR_48:HG2*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:ALA_50:HN     1:ALA_50:HA          -1.000     3.220     2.800     50.00     50.00     1000.00     0.00
1:ALA_50:HN     1:GLX_46:HA          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00
1:ALA_50:HN     1:SER_47:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:ALA_50:HN     1:LEU_49:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:ALA_50:HN     1:GLY_51:HA1          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:ALA_50:HN     1:GLY_51:HA2          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:ALA_50:HN     1:GLX_46:HB*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:ALA_50:HN     1:THR_48:HA          -1.000     5.750     5.000    50.00     50.00    1000.00     0.00
1:ALA_50:HN     1:LEU_49:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:ALA_50:HN     1:LEU_49:HG          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:ALA_50:HN     1:ALA_50:HB*          -1.000     4.000     2.600     50.00     50.00    1000.00     0.00     
1:ALA_50:HN     1:ALA_57:HB*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:ALA_50:HN     1:LEU_49:HD1*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:ALA_50:HN     1:LEU_49:HD2*          -1.000     6.180     4.500     50.00     50.00    1000.00     0.00     
! HN residues 51-60
1:GLY_51:HN     1:ALA_50:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:GLY_51:HN     1:SER_47:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00 
1:GLY_51:HN     1:GLY_51:HA1          -1.000     3.000     2.600     50.00     50.00     1000.00     0.00
1:GLY_51:HN     1:GLY_51:HA2          -1.000     3.000     2.600     50.00     50.00     1000.00     0.00
1:GLY_51:HN     1:THR_48:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:GLY_51:HN     1:ALA_50:HB*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:GLY_51:HN     1:ALA_57:HB*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:GLY_51:HN     1:METX_55:HG2          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:LYX_52:HN     1:LYX_52:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:LYX_52:HN     1:GLY_51:HA1          -1.000     3.000     2.600     50.00     50.00     1000.00     0.00
1:LYX_52:HN     1:GLY_51:HA2          -1.000     3.220     2.800     50.00     50.00     1000.00     0.00
1:LYX_52:HN     1:METX_55:HA          -1.000     6.900     6.000     50.00     50.00     1000.00     0.00
1:LYX_52:HN     1:SER_47:HB1          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:LYX_52:HN     1:THR_48:HA          -1.000     6.900     6.000     50.00     50.00     1000.00     0.00
1:LYX_52:HN     1:LYX_52:HD*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:LYX_52:HN     1:LYX_52:HG1          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:LYX_52:HN     1:LYX_52:HG2          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:LYX_52:HN     1:LYX_52:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:LYX_52:HN     1:LYX_52:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:LYX_52:HN     1:METX_55:HG2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:LYX_52:HN     1:METX_55:HB2          -1.000     3.000     2.600     50.00     50.00    1000.00     0.00     
1:GLY_53:HN     1:GLY_53:HA1          -1.000     2.600     2.500     50.00     50.00     1000.00     0.00
1:GLY_53:HN     1:GLY_53:HA2           2.000     3.200     3.200     50.00     50.00     1000.00     0.00 
1:GLY_53:HN     1:LYX_52:HA          -1.000     2.600     2.500     50.00     50.00     1000.00     0.00
1:GLY_53:HN     1:LYX_52:HD*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:GLY_53:HN     1:LYX_52:HG1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00      
1:GLY_53:HN     1:LYX_52:HG2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:GLY_53:HN     1:LYX_52:HB1          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:ALA_54:HN     1:ALA_54:HA          -1.000     3.220     2.800     50.00     50.00     1000.00     0.00
1:ALA_54:HN     1:GLY_53:HA1           2.200     3.200     3.200     50.00     50.00     1000.00     0.00 
1:ALA_54:HN     1:GLY_53:HA2          -1.000     2.600     2.500     50.00     50.00     1000.00     0.00 
1:ALA_54:HN     1:HEM_0C:HMC*          -1.000     4.000     2.600     50.00     50.00    1000.00     0.00     
1:ALA_54:HN     1:HEM_0C:HBC1          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:ALA_54:HN     1:HEM_0C:HBC2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:ALA_54:HN     1:ALA_54:HB*          -1.000     4.000     2.600     50.00     50.00    1000.00     0.00     
1:METX_55:HN     1:ALA_54:HA           2.800     5.750     5.000     50.00     50.00     1000.00     0.00 
1:METX_55:HN     1:GLY_53:HA1           3.200     5.750     5.000     50.00     50.00     1000.00     0.00 
1:METX_55:HN     1:GLY_53:HA2           3.200     5.750     5.000    50.00     50.00    1000.00     0.00
1:METX_55:HN     1:METX_55:HA          -1.000     3.000     2.600     50.00     50.00     1000.00     0.00
1:METX_55:HN     1:ALA_54:HB*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00      
1:METX_55:HN     1:LYX_52:HB1          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00      
1:METX_55:HN     1:LYX_52:HB2          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00      
1:METX_55:HN     1:METX_55:HB2          -1.000     3.000     2.600     50.00     50.00    1000.00     0.00     
1:METX_55:HN     1:METX_55:HG2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:METX_55:HN     1:PRO_56:HD1           4.000     6.900     6.000     50.00      50.00    1000.00     0.00
1:METX_55:HN     1:PRO_56:HD2           4.000     6.900     6.000     50.00      50.00    1000.00     0.00
1:ALA_57:HN     1:PRO_56:HA          -1.000     2.880     2.500     50.00     50.00     1000.00     0.00 
1:ALA_57:HN     1:ALA_57:HA           2.300     4.370     3.800     50.00     50.00     1000.00     0.00 
1:ALA_57:HN     1:GLY_51:HA1          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00
1:ALA_57:HN     1:GLY_51:HA2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00 
1:ALA_57:HN     1:PRO_56:HB1           3.000     5.175     4.500     50.00     50.00    1000.00     0.00     
1:ALA_57:HN     1:PRO_56:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00      
1:ALA_57:HN     1:PRO_56:HG1          4.500     6.900     6.000     50.00     50.00    1000.00     0.00     
1:ALA_57:HN     1:PRO_56:HG2          3.500     5.750     5.000     50.00     50.00    1000.00     0.00     
1:ALA_57:HN     1:ALA_57:HB*          -1.000     4.000     2.600     50.00     50.00    1000.00     0.00     
1:TYR_58:HN     1:ASX_59:HA          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:TYR_58:HN     1:TYR_58:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:TYR_58:HN     1:LEU_49:HA          -1.000     3.220     2.800     50.00     50.00    1000.00     0.00     
1:TYR_58:HN     1:ALA_57:HA          -1.000     2.880     2.500     50.00     50.00     1000.00     0.00 
1:TYR_58:HN     1:TYR_58:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00      
1:TYR_58:HN     1:TYR_58:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00      
1:TYR_58:HN     1:ASX_59:HB1          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:TYR_58:HN     1:ASX_59:HB2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:TYR_58:HN     1:THR_48:HA          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00      
1:TYR_58:HN     1:ALA_57:HB*          -1.000     4.000     2.600     50.00     50.00    1000.00     0.00     
1:TYR_58:HN     1:LEU_49:HD1*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:TYR_58:HN     1:LEU_49:HD2*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:TYR_58:HN     1:LEU_67:HD1*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:TYR_58:HN     1:LEU_67:HD2*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:TYR_58:HN     1:THR_48:HG2*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:ASX_59:HN     1:TYR_58:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:ASX_59:HN     1:LEU_49:HA          -1.000     3.220     2.800     50.00     50.00    1000.00     0.00
1:ASX_59:HN     1:ALA_57:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00 
1:ASX_59:HN     1:TYR_58:HB2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:ASX_59:HN     1:ASX_59:HB1          -1.000     3.000     2.600     50.00     50.00    1000.00     0.00     
1:ASX_59:HN     1:ASX_59:HB2          -1.000     3.000     2.600     50.00     50.00    1000.00     0.00     
1:ASX_59:HN     1:TYR_58:HB1          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00      
1:ASX_59:HN     1:LEU_49:HB2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00      
1:ASX_59:HN     1:LEU_49:HG          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:ASX_59:HN     1:LEU_49:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:ASX_59:HN     1:ALA_57:HB*          -1.000     4.000     2.600     50.00     50.00    1000.00     0.00     
1:ASX_59:HN     1:LEU_49:HD1*          -1.000     4.000     2.600     50.00     50.00    1000.00     0.00     
1:ASX_59:HN     1:LEU_49:HD2*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:GLY_60:HN     1:ASX_59:HA          -1.000     2.880     2.500     50.00     50.00     1000.00     0.00 
1:GLY_60:HN     1:GLY_60:HA1          -1.000     3.000     2.600     50.00     50.00     1000.00     0.00
1:GLY_60:HN     1:GLY_60:HA2           2.400     3.680     3.200     50.00     50.00     1000.00     0.00
1:GLY_60:HN     1:ASX_59:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:GLY_60:HN     1:ASX_59:HB1          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:GLY_60:HN     1:LEU_49:HD1*         -1.000     4.000     2.600     50.00     50.00    1000.00     0.00     
!HN residues 61-70
1:ARX_61:HN     1:ASX_59:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:ARX_61:HN     1:GLY_60:HA1           3.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:ARX_61:HN     1:GLY_60:HA2          -1.000     3.680     3.200     50.00     50.00     1000.00     0.00
1:ARX_61:HN     1:ARX_61:HA            2.500     3.680     3.200     50.00     50.00    1000.00     0.00
1:ARX_61:HN     1:ARX_61:HD1          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:ARX_61:HN     1:ARX_61:HD2          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:ARX_61:HN     1:ARX_61:HB1          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00      
1:ARX_61:HN     1:ARX_61:HB2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00      
1:ARX_61:HN     1:ARX_61:HG*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:ARX_61:HN     1:ALA_62:HB*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:ARX_61:HN     1:LEU_49:HD1*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:ARX_61:HN     1:LEU_67:HD2*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:ALA_62:HN     1:ALA_62:HA           2.500     4.370     3.800     50.00     50.00     1000.00     0.00
1:ALA_62:HN     1:ARX_61:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:ALA_62:HN     1:ASX_59:HA          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:ALA_62:HN     1:GLY_60:HA1          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:ALA_62:HN     1:GLY_60:HA2          -1.000     6.900     6.000     50.00     50.00     1000.00     0.00
1:ALA_62:HN     1:TYR_58:HA          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:ALA_62:HN     1:TYR_58:HB1          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:ALA_62:HN     1:TYR_58:HB2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00      
1:ALA_62:HN     1:ARX_61:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:ALA_62:HN     1:ARX_61:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00      
1:ALA_62:HN     1:ARX_61:HG*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:ALA_62:HN     1:ALA_62:HB*          -1.000     4.000     2.600     50.00     50.00    1000.00     0.00     
1:ALA_62:HN     1:LEU_49:HD1*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:ALA_62:HN     1:LEU_67:HD1*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:ALA_62:HN     1:LEU_67:HD2*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:ASX_63:HN     1:ALA_62:HA          -1.000     3.000     2.600     50.00     50.00     1000.00     0.00
1:ASX_63:HN     1:ASX_63:HA          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:ASX_63:HN     1:ASX_66:HB1          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:ASX_63:HN     1:ASX_63:HB1          -1.000     3.000     2.600     50.00     50.00    1000.00     0.00     
1:ASX_63:HN     1:ASX_63:HB2          -1.000     3.000     2.600     50.00     50.00    1000.00     0.00      
1:ASX_63:HN     1:ALA_62:HB*          -1.000     4.000     2.600     50.00     50.00    1000.00     0.00     
1:ASX_63:HN     1:LEU_67:HD1*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:ASX_63:HN     1:LEU_67:HD2*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00      
1:ARX_64:HN     1:ASX_63:HA          -1.000     2.600     2.200     50.00     50.00     1000.00     0.00
1:ARX_64:HN     1:ARX_64:HA           2.400     3.250     2.800     50.00     50.00     1000.00     0.00
1:ARX_64:HN     1:ARX_64:HD*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:ARX_64:HN     1:ASX_63:HB1          -1.000     4.850     4.200     50.00     50.00    1000.00     0.00     
1:ARX_64:HN     1:ASX_63:HB2          -1.000     4.850     4.200     50.00     50.00    1000.00     0.00     
1:ARX_64:HN     1:GLX_65:HG*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00      
1:ARX_64:HN     1:ARX_64:HB1          -1.000     3.000     2.600     50.00     50.00    1000.00     0.00     
1:ARX_64:HN     1:ARX_64:HB2          -1.000     3.000     2.600     50.00     50.00    1000.00     0.00     
1:ARX_64:HN     1:ARX_64:HG2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:ARX_64:HN     1:ARX_64:HG1          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:ARX_64:HN     1:LEU_49:HD1*          -1.000     6.180     4.500     50.00     50.00    1000.00     0.00     
1:ARX_64:HN     1:LEU_49:HD2*          -1.000     7.330     5.500     50.00     50.00    1000.00     0.00     
1:ARX_64:HN     1:LEU_67:HD1*          -1.000     6.180     4.500     50.00     50.00    1000.00     0.00     
1:GLX_65:HN     1:ASX_63:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:GLX_65:HN     1:GLX_65:HA          -1.000     3.220     2.800     50.00     50.00     1000.00     0.00
1:GLX_65:HN     1:ARX_64:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:GLX_65:HN     1:ARX_64:HD*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:GLX_65:HN     1:ASX_66:HB2          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:GLX_65:HN     1:ASX_63:HB1          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:GLX_65:HN     1:ASX_63:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:GLX_65:HN     1:GLX_65:HG*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:GLX_65:HN     1:GLX_65:HB*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:GLX_65:HN     1:ARX_64:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:GLX_65:HN     1:ARX_64:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00      
1:GLX_65:HN     1:ARX_64:HG2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:GLX_65:HN     1:ARX_64:HG1          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:ASX_66:HN     1:GLX_65:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:ASX_66:HN     1:ASX_66:HA          -1.000     3.220     2.800     50.00     50.00     1000.00     0.00
1:ASX_66:HN     1:LEU_67:HA          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:ASX_66:HN     1:ARX_64:HA          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:ASX_66:HN     1:ASX_66:HB1          -1.000     3.680     3.200     50.00     50.00    1000.00     0.00     
1:ASX_66:HN     1:ASX_66:HB2          -1.000     3.000     2.600     50.00     50.00    1000.00     0.00     
1:ASX_66:HN     1:ASX_63:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00      
1:ASX_66:HN     1:GLX_65:HG*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:ASX_66:HN     1:LEU_67:HB2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:ASX_66:HN     1:GLX_65:HB*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:ASX_66:HN     1:LEU_67:HG          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:ASX_66:HN     1:ALA_62:HB*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:ASX_66:HN     1:ILE_5:HG2*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:ASX_66:HN     1:ILE_5:HD*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:ASX_66:HN     1:LEU_67:HD1*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:ASX_66:HN     1:LEU_67:HD2*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:LEU_67:HN     1:ASX_66:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:LEU_67:HN     1:LEU_67:HA          -1.000     3.000     2.600     50.00     50.00     1000.00     0.00
1:LEU_67:HN     1:GLX_65:HA          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00 
1:LEU_67:HN     1:ARX_64:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:LEU_67:HN     1:VAL_68:HA          -1.000     6.900     6.000     50.00     50.00     1000.00     0.00
1:LEU_67:HN     1:ASX_66:HB1          -1.000     3.000     2.600     50.00     50.00    1000.00     0.00     
1:LEU_67:HN     1:ASX_66:HB2          -1.000     3.000     2.600     50.00     50.00    1000.00     0.00     
1:LEU_67:HN     1:VAL_68:HB          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:LEU_67:HN     1:LEU_67:HB1          -1.000     4.140     3.600     50.00     50.00    1000.00     0.00     
1:LEU_67:HN     1:LEU_67:HB2          -1.000     3.000     2.600     50.00     50.00    1000.00     0.00      
1:LEU_67:HN     1:ALA_70:HB*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:LEU_67:HN     1:LEU_67:HG          -1.000     3.000     2.600     50.00     50.00    1000.00     0.00     
1:LEU_67:HN     1:ALA_62:HB*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:LEU_67:HN     1:VAL_68:HG1*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:LEU_67:HN     1:VAL_45:HG2*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:LEU_67:HN     1:ILE_5:HD*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:LEU_67:HN     1:LEU_67:HD1*          -1.000     4.680     3.200     50.00     50.00    1000.00     0.00     
1:LEU_67:HN     1:LEU_67:HD2*          -1.000     4.680     3.200     50.00     50.00    1000.00     0.00     
1:VAL_68:HN     1:ASX_66:HA          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:VAL_68:HN     1:LYX_69:HA          -1.000     6.900     6.000     50.00     50.00     1000.00     0.00
1:VAL_68:HN     1:LEU_67:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:VAL_68:HN     1:GLX_65:HA          -1.000     3.680     3.200     50.00     50.00     1000.00     0.00
1:VAL_68:HN     1:ARX_64:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:VAL_68:HN     1:VAL_68:HA          -1.000     3.000     2.600    50.00     50.00    1000.00     0.00
1:VAL_68:HN     1:VAL_68:HB          -1.000     3.000     2.600     50.00     50.00    1000.00     0.00     
1:VAL_68:HN     1:LEU_67:HB1          -1.000     3.000     2.600     50.00     50.00    1000.00     0.00     
1:VAL_68:HN     1:LEU_67:HB2          -1.000     3.000     2.600     50.00     50.00    1000.00     0.00      
1:VAL_68:HN     1:GLX_65:HB*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00      
1:VAL_68:HN     1:LYX_69:HG2          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00      
1:VAL_68:HN     1:LEU_67:HG          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:VAL_68:HN     1:ALA_62:HB*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:VAL_68:HN     1:VAL_41:HG1*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:VAL_68:HN     1:VAL_68:HG1*         -1.000     6.180     4.500     50.00     50.00    1000.00     0.00      
1:VAL_68:HN     1:VAL_68:HG2*         -1.000     4.000     2.600     50.00     50.00    1000.00     0.00      
1:VAL_68:HN     1:LEU_67:HD1*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:VAL_68:HN     1:LEU_67:HD2*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:LYX_69:HN     1:ASX_66:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:LYX_69:HN     1:LYX_69:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:LYX_69:HN     1:GLX_65:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:LYX_69:HN     1:VAL_68:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:LYX_69:HN     1:VAL_68:HB          -1.000     3.000     2.600     50.00     50.00    1000.00     0.00     
1:LYX_69:HN     1:ALA_70:HB*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:LYX_69:HN     1:LYX_69:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:LYX_69:HN     1:LYX_69:HB2          -1.000     3.220     2.800     50.00     50.00    1000.00     0.00     
1:LYX_69:HN     1:LYX_69:HG1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:LYX_69:HN     1:LYX_69:HG2          -1.000     3.000     2.600     50.00     50.00    1000.00     0.00     
1:LYX_69:HN     1:LYX_69:HD2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:LYX_69:HN     1:ILE_71:HD*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:LYX_69:HN     1:VAL_68:HG1*          -1.000     4.680     3.200     50.00     50.00    1000.00     0.00     
1:LYX_69:HN     1:VAL_68:HG2*          -1.000     4.680     3.200     50.00     50.00    1000.00     0.00     
1:LYX_69:HN     1:ILE_5:HD*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:ALA_70:HN     1:ALA_70:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:ALA_70:HN     1:LYX_69:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00 
1:ALA_70:HN     1:LEU_67:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00 
1:ALA_70:HN     1:HEM_0C:HMA*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:ALA_70:HN     1:VAL_68:HA          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:ALA_70:HN     1:LYX_69:HB2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00      
1:ALA_70:HN     1:ALA_70:HB*          -1.000     4.000     2.600     50.00     50.00    1000.00     0.00     
1:ALA_70:HN     1:LYX_69:HB1          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:ALA_70:HN     1:ILE_71:HD*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:ALA_70:HN     1:ILE_71:HG2*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:ALA_70:HN     1:ILE_5:HG2*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:ALA_70:HN     1:ILE_5:HD*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:ALA_70:HN     1:LEU_67:HD1*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
!HN residues 71-78
1:ILE_71:HN     1:LYX_69:HA          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00 
1:ILE_71:HN     1:ALA_70:HA          -1.000     5.060     4.400     50.00     50.00     1000.00     0.00
1:ILE_71:HN     1:ILE_71:HA          -1.000     3.000     2.600     50.00     50.00     1000.00     0.00
1:ILE_71:HN     1:GLX_72:HA          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:ILE_71:HN     1:HEM_0C:HMD*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:ILE_71:HN     1:HEM_0C:HMA*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:ILE_71:HN     1:VAL_68:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:ILE_71:HN     1:ILE_71:HG12          -1.000     3.000     2.600     50.00     50.00    1000.00     0.00     
1:ILE_71:HN     1:GLX_72:HG2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:ILE_71:HN     1:GLX_72:HB1          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:ILE_71:HN     1:GLX_72:HB2          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:ILE_71:HN     1:ILE_71:HB          -1.000     4.000     3.500     50.00     50.00    1000.00     0.00     
1:ILE_71:HN     1:ILE_71:HG11          -1.000     4.000     3.500     50.00     50.00    1000.00     0.00     
1:ILE_71:HN     1:ALA_70:HB*          -1.000     4.000     2.600     50.00     50.00    1000.00     0.00     
1:ILE_71:HN     1:ILE_71:HD*          -1.000     4.680     3.200     50.00     50.00    1000.00     0.00     
1:ILE_71:HN     1:ILE_71:HG2*          -1.000     4.680     3.200     50.00     50.00    1000.00     0.00      
1:ILE_71:HN     1:VAL_41:HG1*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:ILE_71:HN     1:VAL_41:HG2*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:ILE_71:HN     1:VAL_68:HG1*          -1.000     7.330     5.500     50.00     50.00    1000.00     0.00     
1:ILE_71:HN     1:VAL_68:HG2*          -1.000     7.330     5.500     50.00     50.00    1000.00     0.00      
1:ILE_71:HN     1:VAL_45:HG2*          -1.000     7.330     5.500     50.00     50.00    1000.00     0.00     
1:ILE_71:HN     1:LEU_67:HD1*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:GLX_72:HN     1:LYX_69:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:GLX_72:HN     1:ILE_71:HA          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:GLX_72:HN     1:GLX_72:HA          -1.000     3.220     2.800     50.00     50.00     1000.00     0.00
1:GLX_72:HN     1:HEM_0C:HMA*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:GLX_72:HN     1:VAL_68:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:GLX_72:HN     1:ILE_71:HG12          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:GLX_72:HN     1:GLX_72:HG2          -1.000     3.000     2.600     50.00     50.00    1000.00     0.00     
1:GLX_72:HN     1:GLX_72:HB2          -1.000     3.000     2.600     50.00     50.00    1000.00     0.00     
1:GLX_72:HN     1:GLX_72:HG1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:GLX_72:HN     1:GLX_72:HB1          -1.000     3.680     3.200     50.00     50.00    1000.00     0.00     
1:GLX_72:HN     1:ILE_71:HB          -1.000     4.830     4.200     50.00     50.00    1000.00     0.00     
1:GLX_72:HN     1:ILE_71:HG11          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:GLX_72:HN     1:ALA_70:HB*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:GLX_72:HN     1:ILE_71:HD*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:GLX_72:HN     1:ILE_71:HG2*          -1.000     6.060     4.400     50.00     50.00    1000.00     0.00     
1:GLX_72:HN     1:VAL_41:HG1*          -1.000     6.060     4.400     50.00     50.00    1000.00     0.00     
1:GLX_72:HN     1:VAL_41:HG2*          -1.000     6.060     4.400     50.00     50.00    1000.00     0.00     
1:GLX_72:HN     1:VAL_68:HG1*          -1.000     6.180     4.500     50.00     50.00    1000.00     0.00     
1:GLX_72:HN     1:LEU_75:HD2*          -1.000     7.330     5.500     50.00     50.00    1000.00     0.00     
1:TYR_73:HN     1:ALA_70:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:TYR_73:HN     1:TYR_73:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:TYR_73:HN     1:GLX_72:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:TYR_73:HN     1:TYR_73:HB1          -1.000     3.000     2.600     50.00     50.00    1000.00     0.00     
1:TYR_73:HN     1:TYR_73:HB2          -1.000     3.000     2.600     50.00     50.00    1000.00     0.00     
1:TYR_73:HN     1:GLX_72:HG2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:TYR_73:HN     1:GLX_72:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00      
1:TYR_73:HN     1:GLX_72:HG1          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:TYR_73:HN     1:GLX_72:HB1          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00      
1:TYR_73:HN     1:LEU_75:HD2*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:MET_74:HN     1:ALA_70:HA          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:MET_74:HN     1:TYR_73:HA          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:MET_74:HN     1:ILE_71:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:MET_74:HN     1:GLX_72:HA          -1.000     6.900     6.000     50.00     50.00     1000.00     0.00
1:MET_74:HN     1:HEM_0C:HMA*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:MET_74:HN     1:TYR_73:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:MET_74:HN     1:TYR_73:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00      
1:MET_74:HN     1:MET_74:HA          -1.000     3.000     2.600     50.00     50.00     1000.00     0.00
1:MET_74:HN     1:MET_74:HG2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:MET_74:HN     1:MET_74:HG1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00      
1:MET_74:HN     1:LEU_75:HG          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:MET_74:HN     1:MET_74:HB*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:MET_74:HN     1:ILE_71:HG2*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:MET_74:HN     1:LEU_75:HD1*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:MET_74:HN     1:LEU_75:HD2*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:MET_74:HN     1:THR_77:HG2*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:MET_74:HN     1:LEU_28:HD1*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:MET_74:HN     1:LEU_28:HD2*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:MET_74:HN     1:MET_74:HE*          -1.000     6.060     4.400     50.00     50.00    1000.00     0.00     
1:LEU_75:HN     1:TYR_73:HA          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:LEU_75:HN     1:ILE_71:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:LEU_75:HN     1:GLX_72:HA          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:LEU_75:HN     1:LEU_75:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00 
1:LEU_75:HN     1:MET_74:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:LEU_75:HN     1:MET_74:HG2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:LEU_75:HN     1:LEU_75:HB1          -1.000     3.680     3.200     50.00     50.00    1000.00     0.00     
1:LEU_75:HN     1:LEU_75:HB2          -1.000     3.680     3.200     50.00     50.00    1000.00     0.00     
1:LEU_75:HN     1:LEU_75:HG          -1.000     3.680     3.200     50.00     50.00    1000.00     0.00     
1:LEU_75:HN     1:MET_74:HG1          -1.000     4.830     4.200     50.00     50.00    1000.00     0.00     
1:LEU_75:HN     1:ILE_71:HG2*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:LEU_75:HN     1:LEU_75:HD1*          -1.000     4.680     3.200     50.00     50.00    1000.00     0.00     
1:LEU_75:HN     1:LEU_75:HD2*          -1.000     4.680     3.200     50.00     50.00    1000.00     0.00     
1:LEU_75:HN     1:LEU_28:HD1*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:LEU_75:HN     1:LEUC_78:HD1*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:LEU_75:HN     1:MET_74:HE*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:SER_76:HN     1:SER_76:HA          -1.000     3.000     2.600     50.00     50.00     1000.00     0.00
1:SER_76:HN     1:THR_77:HA          -1.000     6.900     6.000     50.00     50.00     1000.00     0.00
1:SER_76:HN     1:SER_76:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:SER_76:HN     1:SER_76:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:SER_76:HN     1:GLX_72:HA          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:SER_76:HN     1:LEU_75:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:SER_76:HN     1:MET_74:HA          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:SER_76:HN     1:LEU_75:HD1*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:SER_76:HN     1:LEU_75:HD2*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:SER_76:HN     1:THR_77:HG2*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:SER_76:HN     1:LEUC_78:HD1*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:THR_77:HN     1:THR_77:HB          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:THR_77:HN     1:SER_76:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:THR_77:HN     1:THR_77:HA          -1.000     3.220     2.800     50.00     50.00     1000.00     0.00
1:THR_77:HN     1:LEUC_78:HA          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:THR_77:HN     1:LEUC_78:HB1          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:THR_77:HN     1:LEUC_78:HB2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:THR_77:HN     1:LEUC_78:HG          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00      
1:THR_77:HN     1:THR_77:HG2*          -1.000     4.000     2.600     50.00     50.00    1000.00     0.00     
1:THR_77:HN     1:LEU_75:HD1*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:THR_77:HN     1:LEUC_78:HD1*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:THR_77:HN     1:LEUC_78:HD2*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:LEUC_78:HN     1:THR_77:HB          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:LEUC_78:HN     1:SER_76:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:LEUC_78:HN     1:THR_77:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:LEUC_78:HN     1:LEUC_78:HA          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:LEUC_78:HN     1:LEU_75:HA          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:LEUC_78:HN     1:LEUC_78:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:LEUC_78:HN     1:LEUC_78:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00      
1:LEUC_78:HN     1:LEUC_78:HG          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:LEUC_78:HN     1:THR_77:HG2*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:LEUC_78:HN     1:LEU_75:HD1*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:LEUC_78:HN     1:LEUC_78:HD1*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:LEUC_78:HN     1:LEUC_78:HD2*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
!NOE with side chain protons between 5 and 10 ppm
!specific NOE for TYR_6 verified on low temperature spectrum (288 K)
1:TYR_6:HH     1:ASX_19:HA          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:TYR_6:HH     1:SER_15:HB1          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:TYR_6:HH     1:SER_15:HB2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:TYR_6:HH     1:SER_15:HA          -1.000     3.000     3.000     50.00     50.00    1000.00     0.00     
1:TYR_6:HH     1:ASX_19:HB1          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:TYR_6:HH     1:ASX_19:HB2          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:TYR_6:HH     1:HIZ_18:HB1          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:TYR_6:HH     1:HIZ_18:HB2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:TYR_6:HH     1:LEU_28:HB2          -1.000     5.060     4.400     50.00     50.00    1000.00     0.00     
1:TYR_6:HH     1:LEU_28:HD1*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:TYR_6:HH     1:LEU_28:HD2*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00      
1:TYR_6:HH     1:MET_74:HE*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:TYR_6:HE1     1:SER_15:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:TYR_6:HE1     1:SER_15:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:TYR_6:HE1     1:ILE_7:HA          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:TYR_6:HE1     1:SER_15:HA          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00          
1:TYR_6:HE1     1:ILE_7:HG11          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:TYR_6:HE1     1:ILE_7:HG12          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:TYR_6:HE1     1:ILE_7:HG2*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:TYR_6:HE1     1:ILE_7:HD*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:TYR_6:HE1     1:LEU_28:HD1*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:TYR_6:HE1     1:LEU_28:HD2*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:TYR_6:HE2     1:HEM_0C:HMA*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:TYR_6:HE2     1:MET_74:HA          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:TYR_6:HE2     1:CYS_14:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:TYR_6:HE2     1:CYS_14:HB2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:TYR_6:HE2     1:HIZ_18:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:TYR_6:HE2     1:HIZ_18:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:TYR_6:HE2     1:MET_74:HB*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:TYR_6:HE2     1:HIZ_18:HD2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:TYR_6:HE2     1:MET_74:HE*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:TYR_6:HD1     1:TYR_6:HA          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:TYR_6:HD1     1:SER_15:HB2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:TYR_6:HD1     1:SER_15:HB1          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:TYR_6:HD1     1:ILE_7:HA          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:TYR_6:HD1     1:TYR_6:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:TYR_6:HD1     1:TYR_6:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:TYR_6:HD1     1:GLX_3:HA          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:TYR_6:HD1     1:ILE_7:HG12          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:TYR_6:HD1     1:ILE_7:HB          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:TYR_6:HD1     1:ILE_7:HG11          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:TYR_6:HD1     1:ILE_7:HG2*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:TYR_6:HD1     1:ILE_7:HD*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:TYR_6:HD1     1:LEU_28:HD1*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:TYR_6:HD1     1:LEU_28:HD2*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:TYR_6:HD2     1:TYR_6:HA          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:TYR_6:HD2     1:HEM_0C:HMA*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:TYR_6:HD2     1:TYR_6:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:TYR_6:HD2     1:TYR_6:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:TYR_6:HD2     1:MET_74:HA          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:TYR_6:HD2     1:CYS_14:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:TYR_6:HD2     1:CYS_14:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:TYR_6:HD2     1:ALA_70:HB*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:TYR_6:HD2     1:MET_74:HB*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:TYR_6:HD2     1:HIZ_18:HD2          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:TYR_6:HD2     1:MET_74:HE*          -1.000     4.000     2.600     50.00     50.00    1000.00     0.00     
1:ASN_8:HD21     1:ASN_8:HA          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:ASN_8:HD21     1:ASN_8:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:ASN_8:HD21     1:ASN_8:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:ASN_8:HD21     1:ILE_7:HG11          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00      
1:ASN_8:HD21     1:ILE_7:HG2*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:ASN_8:HD22     1:ASN_8:HB1          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:ASN_8:HD22     1:ASN_8:HB2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00      
1:ASN_8:HD22     1:ILE_7:HG2*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:HIZ_18:HD1     1:ALA_25:HB*          -1.000     4.000     2.600     50.00     50.00    1000.00     0.00     
1:HIZ_18:HD1     1:MET_74:HE*          -1.000     4.680     3.200     50.00     50.00    1000.00     0.00     
1:HIZ_18:HD1     1:PRO_26:HB1          -1.000     5.180     4.500     50.00     50.00    1000.00     0.00     
1:HIZ_18:HD1     1:LEU_28:HD2*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:HIZ_18:HD1     1:PRO_26:HG1          -1.000     5.180     4.500     50.00     50.00    1000.00     0.00     
1:HIZ_18:HD1     1:PRO_26:HB2          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:HIZ_18:HD1     1:HIZ_18:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:HIZ_18:HD1     1:HIZ_18:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00      
1:HIZ_18:HD1     1:PRO_26:HD1          -1.000     5.180     4.500     50.00     50.00    1000.00     0.00     
1:HIZ_18:HD1     1:HIZ_18:HA          -1.000     3.000     2.600     50.00     50.00    1000.00     0.00     
1:HIZ_18:HD1     1:PRO_26:HD2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:HIZ_18:HD1     1:PRO_26:HA          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00      
1:HIZ_18:HD1     1:GLX_27:HA          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00      
1:ASN_29:HD21     1:ASN_29:HA          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:ASN_29:HD21     1:ASN_29:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:ASN_29:HD21     1:ASN_29:HB2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:ASN_29:HD21     1:LEU_28:HB1          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:ASN_29:HD21     1:LEU_28:HB2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:ASN_29:HD21     1:THR_77:HG2*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:ASN_29:HD21     1:LEU_28:HD1*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:ASN_29:HD21     1:LEU_28:HD2*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:ASN_29:HD22     1:ASN_29:HA          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:ASN_29:HD22     1:THR_77:HB          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:ASN_29:HD22     1:ASN_29:HB1          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:ASN_29:HD22     1:ASN_29:HB2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:ASN_29:HD22     1:LEU_28:HB1          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:ASN_29:HD22     1:LEU_28:HB2          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:ASN_29:HD22     1:THR_77:HG2*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:ASN_29:HD22     1:LEU_28:HD1*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:ASN_29:HD22     1:LEU_28:HD2*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:TRP_34:HE1     1:PRO_31:HA          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:TRP_34:HE1     1:PRO_26:HA          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:TRP_34:HE1     1:LEU_28:HA          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:TRP_34:HE1     1:ASX_33:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:TRP_34:HE1     1:ASX_33:HB1          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:TRP_34:HE1     1:TRP_34:HB1          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:TRP_34:HE1     1:ALA_30:HB*          -1.000     4.000     2.600     50.00     50.00    1000.00     0.00     
1:TRP_34:HE1     1:PRO_26:HB2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:TRP_34:HE1     1:PRO_26:HG2          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:TRP_34:HE1     1:HIZ_18:HE1          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00      
1:TRP_34:HE1     1:LEU_28:HD2*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:TRP_34:HE1     1:LEU_75:HD1*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:TRP_34:HE1     1:LEU_28:HD1*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:TRP_34:HE1     1:LEUC_78:HD2*          -1.000     4.000     2.600     50.00     50.00    1000.00     0.00     
1:TRP_34:HE1     1:PRO_26:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:TRP_34:HE1     1:LEUC_78:HD1*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:TRP_34:HE1     1:MET_74:HE*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:TRP_34:HE3     1:TRP_34:HA          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:TRP_34:HE3     1:ARX_37:HA          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:TRP_34:HE3     1:ARX_37:HD2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:TRP_34:HE3     1:HEM_0C:HAD1          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:TRP_34:HE3     1:TRP_34:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:TRP_34:HE3     1:TRP_34:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:TRP_34:HE3     1:ARX_37:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:TRP_34:HE3     1:ARX_37:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:TRP_34:HE3     1:ARX_37:HG*         -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:TRP_34:HE3     1:LEU_44:HD1*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:TRP_34:HE3     1:LEU_44:HD2*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00      
1:TRP_34:HE3     1:LEU_75:HD1*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:TRP_34:HE3     1:LEU_75:HD2*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:TRP_34:HE3     1:LEUC_78:HD1*          -1.000     6.180     4.500     50.00     50.00    1000.00     0.00     
1:TRP_34:HE3     1:LEUC_78:HD2*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:TRP_34:HE3     1:MET_74:HE*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:TRP_34:HD1     1:ASX_33:HA          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:TRP_34:HD1     1:TRP_34:HA          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:TRP_34:HD1     1:PRO_31:HA          -1.000     3.000     2.600     50.00     50.00    1000.00     0.00     
1:TRP_34:HD1     1:TRP_34:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:TRP_34:HD1     1:TRP_34:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:TRP_34:HD1     1:ASX_33:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:TRP_34:HD1     1:ASX_33:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:TRP_34:HD1     1:PRO_31:HB2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:TRP_34:HD1     1:ALA_30:HB*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:TRP_34:HD1     1:LEUC_78:HD1*          -1.000     4.680     3.200     50.00     50.00    1000.00     0.00     
1:TRP_34:HD1     1:LEUC_78:HD2*          -1.000     4.680     3.200     50.00     50.00    1000.00     0.00     
1:TRP_34:HD1     1:PRO_26:HB1          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00       
1:TRP_34:HZ3     1:HEM_0C:HAD1          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00       
1:TRP_34:HZ3     1:HEM_0C:HMD*          -1.000     4.000     2.600     50.00     50.00    1000.00     0.00     
1:TRP_34:HZ3     1:LEU_44:HD1*          -1.000     4.000     2.600     50.00     50.00    1000.00     0.00     
1:TRP_34:HZ3     1:LEU_44:HD2*          -1.000     4.000     2.600     50.00     50.00    1000.00     0.00     
1:TRP_34:HZ3     1:LEU_75:HD1*          -1.000     4.000     2.600     50.00     50.00    1000.00     0.00     
1:TRP_34:HZ3     1:LEU_75:HD2*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:TRP_34:HZ3     1:LEUC_78:HD1*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00       
1:TRP_34:HH2     1:HEM_0C:HAD1          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00       
1:TRP_34:HH2     1:HEM_0C:HMA*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:TRP_34:HH2     1:HEM_0C:HMD*          -1.000     4.000     2.600     50.00     50.00    1000.00     0.00     
1:TRP_34:HH2     1:LEU_44:HD1*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:TRP_34:HH2     1:LEU_44:HD2*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:TRP_34:HH2     1:MET_74:HG2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:TRP_34:HH2     1:PRO_26:HG1          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:TRP_34:HH2     1:PRO_26:HG2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:TRP_34:HH2     1:LEU_75:HD1*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:TRP_34:HH2     1:LEU_75:HD2*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:TRP_34:HH2     1:HIZ_18:HE1          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:TRP_34:HH2     1:LEU_28:HD1*         -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:TRP_34:HH2     1:MET_74:HE*          -1.000     4.000     2.600     50.00     50.00    1000.00     0.00     
1:TRP_34:HZ2     1:HEM_0C:HMD*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:TRP_34:HZ2     1:LEU_28:HA          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:TRP_34:HZ2     1:MET_74:HA          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00      
1:TRP_34:HZ2     1:MET_74:HG1          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:TRP_34:HZ2     1:PRO_26:HB2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:TRP_34:HZ2     1:PRO_26:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:TRP_34:HZ2     1:PRO_26:HG2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:TRP_34:HZ2     1:PRO_26:HG1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:TRP_34:HZ2     1:HIZ_18:HE1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:TRP_34:HZ2     1:LEU_28:HD1*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:TRP_34:HZ2     1:LEU_28:HD2*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:TRP_34:HZ2     1:LEU_75:HD1*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:TRP_34:HZ2     1:LEUC_78:HD1*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:TRP_34:HZ2     1:MET_74:HE*          -1.000     4.000     2.600     50.00     50.00    1000.00     0.00     
1:ARX_37:HH2*     1:HEM_0C:HAC2          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:ARX_37:HH2*     1:HEM_0C:HAD2          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:ARX_37:HH2*     1:ARX_37:HD1          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:ARX_37:HH2*     1:ARX_37:HD2          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:ARX_37:HH2*     1:ARX_37:HB1          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:ARX_37:HE     1:ASX_33:HA          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:ARX_37:HE     1:TRP_34:HA          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:ARX_37:HE     1:ARX_37:HD1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:ARX_37:HE     1:ARX_37:HD2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:ARX_37:HE     1:PRO_26:HA          -1.000     5.180     4.500     50.00     50.00    1000.00     0.00     
1:ARX_37:HE     1:ARX_37:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:ARX_37:HE     1:ARX_37:HB2          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:ARX_37:HE     1:ARX_37:HG*         -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:ARX_37:HE     1:PRO_26:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:ARX_37:HE     1:PRO_26:HG2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:ARX_37:HE     1:PRO_26:HG1          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:ARX_37:HE     1:PRO_26:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:TYR_58:HH     1:HEM_0C:HAA          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:TYR_58:HH     1:PRO_12:HA          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:TYR_58:HH     1:THR_10:HA          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:TYR_58:HH     1:THR_13:HA          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00
1:TYR_58:HH     1:THR_10:HB           3.500     5.750     5.000     50.00     50.00    1000.00     0.00
1:TYR_58:HH     1:HEM_0C:HMB*          -1.000     4.000     2.600     50.00     50.00    1000.00     0.00      
1:TYR_58:HH     1:PRO_12:HD1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:TYR_58:HH     1:PRO_12:HD2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00      
1:TYR_58:HH     1:PRO_12:HB1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:TYR_58:HH     1:PRO_12:HB2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:TYR_58:HH     1:PRO_12:HG1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:TYR_58:HH     1:PRO_12:HG2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:TYR_58:HH     1:ALA_11:HB*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:TYR_58:HH     1:HEM_0C:HBA*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:TYR_58:HD*     1:THR_10:HB          -1.000     6.370     3.800     50.00     50.00    1000.00     0.00     
1:TYR_58:HD*     1:TYR_58:HA          -1.000     6.370     3.800     50.00     50.00    1000.00     0.00     
1:TYR_58:HD*     1:HEM_0C:HMA*          -1.000     9.900     6.000     50.00     50.00    1000.00     0.00     
1:TYR_58:HD*     1:LEU_49:HA          -1.000     6.370     3.800     50.00     50.00    1000.00     0.00     
1:TYR_58:HD*     1:ALA_57:HA          -1.000     6.370     3.800     50.00     50.00    1000.00     0.00     
1:TYR_58:HD*     1:THR_48:HB          -1.000     6.370     3.800     50.00     50.00    1000.00     0.00     
1:TYR_58:HD*     1:ARX_61:HD1          -1.000     7.750     5.000     50.00     50.00    1000.00     0.00     
1:TYR_58:HD*     1:ARX_61:HD2          -1.000     7.750     5.000     50.00     50.00    1000.00     0.00     
1:TYR_58:HD*     1:PRO_56:HD1         -1.000     8.900     6.000     50.00     50.00    1000.00     0.00    
1:TYR_58:HD*     1:TYR_58:HB1          -1.000     4.990     2.600     50.00     50.00    1000.00     0.00     
1:TYR_58:HD*     1:TYR_58:HB2          -1.000     4.990     2.600     50.00     50.00    1000.00     0.00     
1:TYR_58:HD*     1:ARX_61:HB1          -1.000     6.370     3.800     50.00     50.00    1000.00     0.00     
1:TYR_58:HD*     1:ARX_61:HB2          -1.000     6.370     3.800     50.00     50.00    1000.00     0.00     
1:TYR_58:HD*     1:THR_48:HA          -1.000     6.370     3.800     50.00     50.00    1000.00     0.00     
1:TYR_58:HD*     1:ARX_61:HG*          -1.000     8.750     5.000     50.00     50.00    1000.00     0.00     
1:TYR_58:HD*     1:ALA_62:HB*          -1.000     6.000     2.600     50.00     50.00    1000.00     0.00     
1:TYR_58:HD*     1:HEM_0C:HBA*          -1.000     6.000     2.600     50.00     50.00    1000.00     0.00     
1:TYR_58:HD*     1:PRO_56:HB1          -1.000     8.900     6.000     50.00     50.00    1000.00     0.00      
1:TYR_58:HD*     1:ALA_57:HB*          -1.000     8.750     5.000     50.00     50.00    1000.00     0.00     
1:TYR_58:HD*     1:LEU_49:HD1*          -1.000     8.750     5.000     50.00     50.00    1000.00     0.00     
1:TYR_58:HD*     1:LEU_67:HD1*          -1.000     7.370     3.800     50.00     50.00    1000.00     0.00     
1:TYR_58:HD*     1:LEU_67:HD2*          -1.000     7.370     3.800     50.00     50.00    1000.00     0.00     
1:TYR_58:HD*     1:THR_48:HG2*          -1.000     7.370     3.800     50.00     50.00    1000.00     0.00     
1:TYR_58:HD*     1:THR_10:HA          -1.000     8.900     6.000     50.00     50.00    1000.00     0.00     
1:TYR_58:HE*     1:THR_10:HA          -1.000     8.900     6.000     50.00     50.00    1000.00     0.00      
1:TYR_58:HE*     1:THR_10:HB          -1.000     7.750     5.000     50.00     50.00    1000.00     0.00      
1:TYR_58:HE*     1:HEM_0C:HMB*          -1.000     7.370     3.800     50.00     50.00    1000.00     0.00      
1:TYR_58:HE*     1:PRO_56:HD1         -1.000     8.900     6.000     50.00     50.00    1000.00     0.00    
1:TYR_58:HE*     1:ALA_62:HB*          -1.000     9.900     6.000     50.00     50.00    1000.00     0.00      
1:TYR_58:HE*     1:HEM_0C:HBA*          -1.000     8.750     5.000     50.00     50.00    1000.00     0.00      
1:TYR_58:HE*     1:THR_48:HG2*          -1.000     9.900     6.000     50.00     50.00    1000.00     0.00      
1:ARX_61:HE     1:TYR_58:HA          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:ARX_61:HE     1:ARX_61:HD1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:ARX_61:HE     1:ARX_61:HD2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:ARX_61:HE     1:ARX_61:HG*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:ARX_61:HE     1:ARX_61:HB1          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:ARX_61:HE     1:ARX_61:HB2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:ARX_64:HE     1:ARX_64:HD*          -1.000     4.000     2.600     50.00     50.00    1000.00     0.00     
1:ARX_64:HE     1:ARX_64:HB1          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:ARX_64:HE     1:ARX_64:HB2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:ARX_64:HE     1:ARX_64:HG1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:ARX_64:HE     1:ARX_64:HG2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:ARX_64:HE     1:VAL_68:HG2*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:ARX_64:HE     1:VAL_45:HG1*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:ARX_64:HE     1:VAL_45:HG2*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:ARX_64:HE     1:LEU_49:HD1*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:ARX_64:HE     1:LEU_49:HD2*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:ARX_64:HH1*     1:ASX_42:HA          -1.000     8.150     5.000     50.00     50.00    1000.00     0.00      
1:ARX_64:HH1*     1:VAL_45:HG1*          -1.000     7.770     3.800     50.00     50.00    1000.00     0.00      
1:ARX_64:HH1*     1:LEU_49:HD2*          -1.000     9.150     5.000     50.00     50.00    1000.00     0.00      
1:ARX_64:HH1*     1:ARX_64:HD*          -1.000     7.770     3.800     50.00     50.00    1000.00     0.00      
1:TYR_73:HD*     1:TYR_73:HA          -1.000     7.750     5.000     50.00     50.00    1000.00     0.00     
1:TYR_73:HD*     1:TYR_73:HB1          -1.000     7.750     5.000     50.00     50.00    1000.00     0.00     
1:TYR_73:HD*     1:TYR_73:HB2          -1.000     7.750     5.000     50.00     50.00    1000.00     0.00     
1:TYR_73:HD*     1:MET_74:HA          -1.000     8.900     6.000     50.00     50.00    1000.00     0.00     
1:TYR_73:HD*     1:GLX_3:HA          -1.000     8.900     6.000     50.00     50.00    1000.00     0.00     
1:TYR_73:HE*     1:THR_77:HG2*          -1.000     8.750     5.000     50.00     50.00    1000.00     0.00     
1:TYR_73:HE*     1:LEU_28:HD1*          -1.000     8.750     5.000     50.00     50.00    1000.00     0.00     
1:TYR_73:HE*     1:LEU_28:HD2*          -1.000     7.370     3.800     50.00     50.00    1000.00     0.00     
!NOE with side chain protons region HN-HN
1:HIZ_18:HD1     1:TRP_34:HE1          -1.000     7.480     6.500     50.00     50.00    1000.00     0.00     
1:HIZ_18:HD1     1:HEM_0C:HHB          -1.000     7.480     6.500     50.00     50.00    1000.00     0.00     
1:HIZ_18:HD1     1:GLX_27:HN          -1.000     7.480     6.500     50.00     50.00    1000.00     0.00     
1:HIZ_18:HD1     1:LEU_28:HN          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:HIZ_18:HD1     1:HIZ_18:HN          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:HIZ_18:HD1     1:TRP_34:HH2          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:HIZ_18:HD1     1:TRP_34:HZ2          -1.000     5.180     4.500     50.00     50.00    1000.00     0.00     
1:HIZ_18:HD1     1:TRP_34:HZ3          -1.000     7.480     6.500     50.00     50.00    1000.00     0.00     
1:TYR_58:HE*     1:ALA_11:HN          -1.000     8.900     6.000     50.00     50.00    1000.00     0.00     
1:TYR_58:HE*     1:HEM_0C:HHA          -1.000     7.180     4.500     50.00     50.00    1000.00     0.00     
1:TYR_58:HD*     1:ALA_62:HN          -1.000     8.900     6.000     50.00     50.00    1000.00     0.00     
1:TYR_58:HD*     1:TYR_58:HN          -1.000     7.180     4.500     50.00     50.00    1000.00     0.00     
1:TYR_58:HD*     1:ASX_59:HN          -1.000     8.900     6.000     50.00     50.00    1000.00     0.00     
1:TYR_58:HD*     1:ALA_11:HN          -1.000     8.900     6.000     50.00     50.00    1000.00     0.00     
1:TYR_58:HD*     1:HEM_0C:HHA          -1.000     8.900     6.000     50.00     50.00    1000.00     0.00     
1:TRP_34:HD1     1:ALA_30:HN          -1.000     5.180     4.500     50.00     50.00    1000.00     0.00     
1:TRP_34:HD1     1:GLX_32:HN          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:TRP_34:HE1     1:GLX_27:HN          -1.000     5.180     4.500     50.00     50.00    1000.00     0.00     
1:TRP_34:HE1     1:ASN_29:HN          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:TRP_34:HE1     1:ASX_33:HN          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00      
1:TRP_34:HE1     1:TRP_34:HN          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:TRP_34:HE1     1:LEU_28:HN          -1.000     7.480     6.500     50.00     50.00    1000.00     0.00     
1:TRP_34:HE1     1:ALA_30:HN          -1.000     5.180     4.500     50.00     50.00    1000.00     0.00     
1:TRP_34:HE3     1:ARX_37:HE          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:TRP_34:HH2     1:HEM_0C:HHD          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:TYR_6:HD1     1:TYR_73:HE*          -1.000     8.900     6.000     50.00     50.00    1000.00     0.00     
1:TYR_6:HD1     1:ILE_7:HN          -1.000     5.180     4.500     50.00     50.00    1000.00     0.00     
1:TYR_6:HD1     1:TYR_6:HN          -1.000     5.180     4.500     50.00     50.00    1000.00     0.00     
1:TYR_6:HD1     1:SER_4:HN          -1.000     7.480     6.500     50.00     50.00    1000.00     0.00     
1:TYR_6:HE2     1:SER_15:HN          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00      
1:TYR_6:HE2     1:HIZ_18:HD1          -1.000     7.480     6.500     50.00     50.00    1000.00     0.00     
1:TYR_73:HD*     1:TYR_73:HN          -1.000     8.900     6.000     50.00     50.00    1000.00     0.00     
1:TYR_73:HD*     1:MET_74:HN          -1.000     8.900     6.000     50.00     50.00    1000.00     0.00     
1:ARX_37:HH2*     1:HEM_0C:HHC          -1.000     6.180     4.500     50.00     50.00    1000.00     0.00     
1:ARX_37:HH1*     1:HEM_0C:HHC          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
!NOE with heme protons between 5 and 10 ppm
1:HEM_0C:HHA     1:HEM_0C:HAA          -1.000     3.000     2.600     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHA     1:CYS_14:HA          -1.000     3.000     2.600     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHA     1:HEM_0C:HMB*          -1.000     4.000     2.600     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHA     1:HEM_0C:HMA*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHA     1:CYS_14:HB1          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHA     1:CYS_14:HB2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHA     1:HEM_0C:HBA*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHA     1:HIZ_18:HD2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHA     1:LEU_67:HD1*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHA     1:THR_48:HG2*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHA     1:METX_55:HG2          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHD     1:ILE_71:HA          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHD     1:VAL_45:HA          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHD     1:HEM_0C:HMD*          -1.000     4.000     2.600     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHD     1:HEM_0C:HMA*          -1.000     4.000     2.600     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHD     1:THR_48:HB          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHD     1:ILE_71:HG12          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHD     1:ILE_71:HB          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHD     1:ILE_71:HG11          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHD     1:THR_48:HA          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHD     1:ALA_70:HB*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHD     1:LEU_44:HD1*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHD     1:ILE_71:HD*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHD     1:ILE_71:HG2*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHD     1:HEM_0C:HBA*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHD     1:LEU_67:HD2*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHD     1:LEU_67:HD1*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHD     1:THR_48:HG1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHD     1:THR_48:HG2*          -1.000     4.000     2.600     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHD     1:MET_74:HE*          -1.000     4.680     3.200     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHC     1:HEM_0C:HAD2          -1.000     3.220     2.800     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHC     1:HEM_0C:HAC2          -1.000     3.220     2.800     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHC     1:HEM_0C:HAD1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHC     1:HEM_0C:HAC1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHC     1:ARX_37:HD2          -1.000     5.180     4.500     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHC     1:HEM_0C:HMC*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHC     1:PRO_26:HD2          -1.000     5.180     4.500     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHC     1:HEM_0C:HBD1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHC     1:HEM_0C:HBC1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHC     1:HEM_0C:HBD2          -1.000     5.060     4.400     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHC     1:HEM_0C:HBC2          -1.000     5.060     4.400     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHC     1:PRO_26:HD1          -1.000     5.180     4.500     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHC     1:LEU_44:HD1*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHC     1:LYX_52:HD*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHC     1:LYX_52:HB2          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHC     1:PRO_26:HG2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHC     1:HIZ_18:HE1          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHC     1:LYX_52:HB1          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHC     1:PRO_26:HG1          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHC     1:PRO_26:HB1          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHC     1:ALA_25:HB*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHB     1:HEM_0C:HMB*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHB     1:HEM_0C:HMC*          -1.000     4.000     2.600     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHB     1:ALA_25:HA          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00      
1:HEM_0C:HHB     1:ALA_25:HB*          -1.000     3.680     3.200     50.00     50.00    1000.00     0.00
1:HEM_0C:HHB     1:METX_55:HA          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00      
1:HEM_0C:HHB     1:PRO_56:HD1          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00      
1:HEM_0C:HHB     1:PRO_56:HD2          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00      
1:HEM_0C:HHB     1:HEM_0C:HBB*          -1.000     4.000     2.600     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHB     1:CYS_17:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHB     1:ALA_54:HB*          -1.000     5.800     4.200     50.00     50.00    1000.00     0.00      
1:HEM_0C:HHB     1:ALA_23:HB*          -1.000     5.800     4.200     50.00     50.00    1000.00     0.00
1:HEM_0C:HHB     1:CYS_17:HB1          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHB     1:VAL_22:HG1*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHB     1:METX_55:HN          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:HEM_0C:HHB     1:ALA_54:HN          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00     
1:HEM_0C:HAA     1:HEM_0C:HMB*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:HEM_0C:HAA     1:HEM_0C:HMA*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:HEM_0C:HAA     1:CYS_14:HB1          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:HEM_0C:HAA     1:CYS_14:HB2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00      
1:HEM_0C:HAA     1:HEM_0C:HBA*          -1.000     4.000     2.600     50.00     50.00    1000.00     0.00     
1:HEM_0C:HAA     1:HIZ_18:HD2          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:HEM_0C:HAA     1:LEU_67:HD1*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:HEM_0C:HAA     1:THR_48:HG2*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:HEM_0C:HAA     1:CYS_14:HA          -1.000     3.000     2.600     50.00     50.00    1000.00     0.00     
1:HEM_0C:HAB     1:HEM_0C:HMB*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:HEM_0C:HAB     1:HEM_0C:HMC*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00     
1:HEM_0C:HAB     1:METX_55:HA          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00      
1:HEM_0C:HAB     1:HEM_0C:HBB*          -1.000     4.000     2.600     50.00     50.00    1000.00     0.00     
1:HEM_0C:HAB     1:CYS_17:HB1          -1.000     5.750     5.000     50.00     50.00    1000.00     0.00     
1:HEM_0C:HAB     1:CYS_17:HB2          -1.000     4.370     3.800     50.00     50.00    1000.00     0.00     
1:HEM_0C:HAB     1:ALA_54:HB*          -1.000     5.370     3.800     50.00     50.00    1000.00     0.00      
1:HEM_0C:HAB     1:VAL_22:HG1*          -1.000     7.900     6.000     50.00     50.00    1000.00     0.00     
1:HEM_0C:HAB     1:VAL_22:HG2*          -1.000     6.750     5.000     50.00     50.00    1000.00     0.00     
1:HEM_0C:HAB     1:ALA_25:HB*          -1.000     5.870     4.200     50.00     50.00    1000.00     0.00
1:HEM_0C:HAB     1:ALA_23:HB*          -1.000     5.870     4.200     50.00     50.00    1000.00     0.00
! amide-amide connectivities
1:CYS_14:HN     1:THR_13:HN          -1.000     6.900     6.000     50.00     50.00     1000.00     0.00
1:CYS_14:HN     1:THR_10:HN          -1.000     6.900     6.000     50.00     50.00     1000.00     0.00
1:CYS_14:HN     1:SER_16:HN          -1.000     6.900     6.000     50.00     50.00     1000.00     0.00
1:CYS_14:HN     1:SER_15:HN          -1.000     3.680     3.200     50.00     50.00     1000.00     0.00
1:GLX_32:HN     1:ASX_33:HN          -1.000     3.220     2.800     50.00     50.00     1000.00     0.00
1:GLX_32:HN     1:TRP_34:HN          -1.000     5.180     4.500     50.00     50.00     1000.00     0.00
1:GLY_2:HN     1:GLX_3:HN          -1.000     5.180     4.500     50.00     50.00     1000.00     0.00
1:GLY_60:HN     1:ARX_64:HN          -1.000     6.900     6.000     50.00     50.00     1000.00     0.00
1:GLY_60:HN     1:ASX_59:HN          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:GLY_60:HN     1:ARX_61:HN          -1.000     2.800     2.500     50.00     50.00     1000.00     0.00
1:GLY_60:HN     1:ALA_62:HN          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:VAL_41:HN     1:LEU_44:HN          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:VAL_41:HN     1:ASX_42:HN          -1.000     3.450     3.000     50.00     50.00     1000.00     0.00
1:VAL_41:HN     1:SER_40:HN          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:VAL_41:HN     1:GLX_43:HN          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:ASX_63:HN     1:GLX_65:HN          -1.000     6.900     6.000     50.00     50.00     1000.00     0.00
1:ASX_63:HN     1:ALA_62:HN          -1.000     5.180     4.500     50.00     50.00     1000.00     0.00
1:ASX_63:HN     1:LEU_67:HN          -1.000     6.900     6.000     50.00     50.00     1000.00     0.00
1:ASX_63:HN     1:ASX_66:HN          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:ARX_64:HN     1:GLX_65:HN          -1.000     3.800     3.800     50.00     50.00     1000.00     0.00
1:ARX_64:HN     1:LEU_67:HN          -1.000     6.900     6.000     50.00     50.00     1000.00     0.00
1:ARX_64:HN     1:ASX_66:HN          -1.000     6.900     6.000     50.00     50.00     1000.00     0.00
1:GLY_9:HN     1:THR_10:HN          -1.000     3.000     2.800     50.00     50.00     1000.00     0.00
1:GLY_9:HN     1:ALA_11:HN           4.000     6.900     6.000     50.00     50.00     1000.00     0.00
1:GLY_9:HN     1:ILE_7:HN          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:GLY_9:HN     1:ASN_8:HN          -1.000     2.500     2.200     50.00     50.00     1000.00     0.00
1:GLY_9:HN     1:ILE_5:HN          -1.000     6.900     6.000     50.00     50.00     1000.00     0.00 
1:ALA_23:HN     1:VAL_22:HN          -1.000     5.180     4.500     50.00     50.00     1000.00     0.00
1:ALA_23:HN     1:GLY_24:HN          -1.000     3.220     2.800     50.00     50.00     1000.00     0.00
1:GLX_72:HN     1:LYX_69:HN          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:GLX_72:HN     1:TYR_73:HN          -1.000     3.220     2.800     50.00     50.00     1000.00     0.00
1:GLX_72:HN     1:MET_74:HN          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:GLX_72:HN     1:LEU_75:HN          -1.000     6.900     6.000     50.00     50.00     1000.00     0.00
1:GLX_72:HN     1:ALA_70:HN          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:GLX_72:HN     1:ILE_71:HN          -1.000     3.220     2.800     50.00     50.00     1000.00     0.00
1:GLX_65:HN     1:ASX_66:HN          -1.000     3.220     2.800     50.00     50.00     1000.00     0.00
1:GLX_65:HN     1:LEU_67:HN          -1.000     5.180     4.500     50.00     50.00     1000.00     0.00
1:GLX_65:HN     1:VAL_68:HN          -1.000     6.900     6.000     50.00     50.00     1000.00     0.00
1:VAL_45:HN     1:THR_48:HN          -1.000     6.900     6.000     50.00     50.00     1000.00     0.00
1:VAL_45:HN     1:GLX_46:HN          -1.000     3.220     2.800     50.00     50.00     1000.00     0.00
1:VAL_45:HN     1:GLX_43:HN          -1.000     5.180     4.500     50.00     50.00     1000.00     0.00
1:VAL_45:HN     1:SER_47:HN          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:VAL_45:HN     1:ASX_42:HN          -1.000     6.900     6.000     50.00     50.00     1000.00     0.00
1:VAL_45:HN     1:LEU_44:HN          -1.000     3.220     2.800     50.00     50.00     1000.00     0.00
1:GLX_27:HN     1:LEU_28:HN          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:GLX_27:HN     1:ASX_33:HN          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:ILE_71:HN     1:LYX_69:HN          -1.000     5.180     4.500     50.00     50.00     1000.00     0.00
1:ILE_71:HN     1:TYR_73:HN          -1.000     5.180     4.500     50.00     50.00     1000.00     0.00
1:ILE_71:HN     1:MET_74:HN          -1.000     6.900     6.000     50.00     50.00     1000.00     0.00
1:ILE_71:HN     1:ALA_70:HN          -1.000     3.680     3.200     50.00     50.00     1000.00     0.00
1:ILE_71:HN     1:VAL_68:HN          -1.000     6.900     6.000     50.00     50.00     1000.00     0.00
1:ALA_54:HN     1:METX_55:HN          -1.000     2.800     2.800     50.00     50.00     1000.00     0.00
1:ALA_54:HN     1:GLY_53:HN          -1.000     5.180     4.500     50.00     50.00     1000.00     0.00
1:ASX_36:HN     1:ALA_35:HN          -1.000     3.220     2.800     50.00     50.00     1000.00     0.00
1:ASX_36:HN     1:ARX_37:HN          -1.000     2.880     2.500     50.00     50.00     1000.00     0.00
1:ASX_36:HN     1:TRP_34:HN          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:GLY_53:HN     1:LYX_52:HN          -1.000     5.180     4.500     50.00     50.00     1000.00     0.00
1:GLY_53:HN     1:METX_55:HN          -1.000     6.900     6.000     50.00     50.00     1000.00     0.00 
1:VAL_68:HN     1:ASX_66:HN          -1.000     5.180     4.500     50.00     50.00     1000.00     0.00
1:VAL_68:HN     1:LYX_69:HN          -1.000     3.220     2.800     50.00     50.00     1000.00     0.00
1:VAL_68:HN     1:LEU_67:HN          -1.000     2.880     2.500     50.00     50.00     1000.00     0.00
1:VAL_68:HN     1:ALA_70:HN          -1.000     6.900     6.000     50.00     50.00     1000.00     0.00
1:ASX_59:HN     1:ALA_57:HN          -1.000     6.900     6.000     50.00     50.00     1000.00     0.00
1:ASX_59:HN     1:ALA_50:HN          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:ASX_59:HN     1:LEU_49:HN          -1.000     6.900     6.000     50.00     50.00     1000.00     0.00
1:ASX_59:HN     1:TYR_58:HN          -1.000     3.680     3.200     50.00     50.00     1000.00     0.00
1:SER_39:HN     1:SER_40:HN          -1.000     2.880     2.500     50.00     50.00     1000.00     0.00
1:ALA_70:HN     1:LYX_69:HN          -1.000     2.880     2.500     50.00     50.00     1000.00     0.00
1:ALA_70:HN     1:LEU_67:HN          -1.000     6.900     6.000     50.00     50.00     1000.00     0.00
1:ARX_61:HN     1:ALA_62:HN          -1.000     2.880     2.500     50.00     50.00     1000.00     0.00
1:TYR_6:HN      1:ILE_5:HN          -1.000     3.220     2.800     50.00     50.00     1000.00     0.00
1:TYR_6:HN     1:ASN_8:HN          -1.000     6.900     6.000     50.00     50.00     1000.00     0.00
1:TYR_6:HN     1:ILE_7:HN          -1.000     3.220     2.800     50.00     50.00     1000.00     0.00
1:LEU_75:HN     1:SER_76:HN          -1.000     3.680     3.200     50.00     50.00     1000.00     0.00
1:MET_74:HN     1:SER_76:HN          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:MET_74:HN     1:TYR_73:HN          -1.000     3.680     3.200     50.00     50.00     1000.00     0.00
1:TYR_58:HN     1:GLY_51:HN          -1.000     5.180     4.500     50.00     50.00     1000.00     0.00
1:TYR_58:HN     1:ALA_57:HN          -1.000     4.600     4.000     50.00     50.00     1000.00     0.00
1:TYR_58:HN     1:ALA_50:HN          -1.000     6.900     6.000    50.00     50.00    1000.00     0.00
1:TYR_58:HN     1:LEU_49:HN          -1.000     6.900     6.000    50.00     50.00    1000.00     0.00
1:LEU_44:HN     1:GLX_46:HN          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:LEU_44:HN     1:GLX_43:HN          -1.000     2.880     2.500     50.00     50.00     1000.00     0.00
1:LEU_44:HN     1:SER_40:HN          -1.000     6.900     6.000     50.00     50.00     1000.00     0.00
1:LEU_44:HN     1:ASX_42:HN          -1.000     5.180     4.500     50.00     50.00     1000.00     0.00
1:ILE_7:HN     1:ASN_8:HN          -1.000     5.180     4.500     50.00     50.00     1000.00     0.00
1:ASX_42:HN     1:GLX_43:HN          -1.000     3.220     2.800     50.00     50.00     1000.00     0.00
1:ASN_29:HN     1:ALA_30:HN          -1.000     3.220     2.800     50.00     50.00     1000.00     0.00
1:ASN_29:HN     1:LEUC_78:HN          -1.000     6.900     6.000     50.00     50.00    1000.00     0.00
1:ASN_29:HN     1:THR_77:HN          -1.000     6.900     6.000    50.00     50.00    1000.00     0.00
1:ASN_29:HN     1:LEU_28:HN          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:ASX_33:HN     1:ALA_35:HN          -1.000     5.180     4.500     50.00     50.00     1000.00     0.00
1:ASX_33:HN     1:TRP_34:HN          -1.000     3.220     2.800     50.00     50.00     1000.00     0.00
1:LEU_49:HN     1:THR_48:HN          -1.000     3.220     2.800     50.00     50.00     1000.00     0.00
1:LEU_49:HN     1:GLY_51:HN          -1.000     5.180     4.500     50.00     50.00     1000.00     0.00
1:LEU_49:HN     1:GLX_46:HN          -1.000     6.900     6.000     50.00     50.00     1000.00     0.00
1:LEU_49:HN     1:ALA_50:HN          -1.000     3.220     2.800     50.00     50.00     1000.00     0.00
1:LEU_49:HN     1:SER_47:HN          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:THR_10:HN     1:ASN_8:HN          -1.000     6.900     6.000     50.00     50.00     1000.00     0.00
1:THR_10:HN     1:ALA_11:HN           3.200     6.900     6.000     50.00     50.00     1000.00     0.00
1:GLY_24:HN     1:ALA_25:HN           2.200     3.220     2.800     50.00     50.00     1000.00     0.00
1:GLY_21:HN     1:VAL_22:HN          -1.000     3.220     2.800     50.00     50.00     1000.00     0.00
1:VAL_22:HN     1:ARX_20:HN          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:VAL_22:HN     1:GLY_24:HN          -1.000     6.900     6.000     50.00     50.00     1000.00     0.00
1:TRP_34:HN     1:ALA_35:HN          -1.000     3.220     2.800     50.00     50.00     1000.00     0.00
1:SER_76:HN     1:LEUC_78:HN          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:SER_76:HN     1:THR_77:HN          -1.000     3.680     3.200     50.00     50.00     1000.00     0.00
1:SER_16:HN     1:CYS_17:HN          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:SER_16:HN     1:HIZ_18:HN          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:SER_16:HN     1:SER_15:HN          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:LEU_67:HN     1:ASX_66:HN          -1.000     3.220     2.800     50.00     50.00     1000.00     0.00
1:LEU_67:HN     1:LYX_69:HN          -1.000     6.900     6.000     50.00     50.00     1000.00     0.00
1:ARX_37:HN     1:ALA_35:HN          -1.000     5.180     4.500     50.00     50.00     1000.00     0.00
1:SER_47:HN     1:THR_48:HN          -1.000     3.220     2.800     50.00     50.00     1000.00     0.00
1:SER_47:HN     1:GLX_46:HN          -1.000     3.680     3.200     50.00     50.00     1000.00     0.00
1:SER_47:HN     1:ALA_50:HN          -1.000     6.900     6.000     50.00     50.00     1000.00     0.00
1:METX_55:HN     1:LYX_52:HN          -1.000     4.370     3.800     50.00     50.00     1000.00     0.00
1:ASX_19:HN     1:CYS_17:HN          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:ASX_19:HN     1:GLY_21:HN          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:ASX_19:HN     1:HIZ_18:HN          -1.000     5.180     4.500     50.00     50.00     1000.00     0.00
1:ASX_19:HN     1:ARX_20:HN          -1.000     3.680     3.200     50.00     50.00     1000.00     0.00
1:ALA_50:HN     1:THR_48:HN          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:ALA_50:HN     1:GLY_51:HN          -1.000     3.220     2.800     50.00     50.00     1000.00     0.00
1:ARX_20:HN     1:GLY_21:HN          -1.000     2.880     2.500     50.00     50.00     1000.00     0.00
1:GLX_46:HN     1:THR_48:HN          -1.000     5.750     5.000     50.00     50.00     1000.00     0.00
1:HIZ_18:HN     1:CYS_17:HN          -1.000     3.680     3.200     50.00     50.00     1000.00     0.00
1:THR_77:HN     1:LEUC_78:HN          -1.000     5.180     4.500     50.00     50.00     1000.00     0.00
1:GLY_51:HN     1:LYX_52:HN           3.000     4.370     3.800     50.00     50.00     1000.00     0.00
!Met55 side chain
1:METX_55:HE*     1:HEM_0C:HHD           4.500     7.900     6.000     25.00     25.00     1000.00     0.00
1:METX_55:HE*     1:HEM_0C:HHC          -1.000     6.180     4.500     25.00     25.00     1000.00     0.00
1:METX_55:HE*     1:LEU_49:HN          -1.000     7.900     6.000     25.00     25.00     1000.00     0.00
1:METX_55:HE*     1:SER_47:HN          -1.000     7.900     6.000     25.00     25.00     1000.00     0.00
1:METX_55:HE*     1:METX_55:HN          -1.000     6.750     5.000     25.00     25.00     1000.00     0.00
1:METX_55:HE*     1:GLY_51:HN          -1.000     6.750     5.000     25.00     25.00     1000.00     0.00
1:METX_55:HE*     1:TYR_58:HD*          -1.000     8.750     5.000     25.00     25.00     1000.00     0.00
1:METX_55:HE*     1:THR_48:HN          -1.000     6.750     5.000     25.00     25.00     1000.00     0.00
1:METX_55:HE*     1:LYX_52:HN          -1.000     6.180     4.500     25.00     25.00     1000.00     0.00
1:METX_55:HE*     1:SER_47:HB2          -1.000     6.180     4.500     25.00     25.00     1000.00     0.00
1:METX_55:HE*     1:SER_47:HA          -1.000     6.750     5.000     25.00     25.00     1000.00     0.00
1:METX_55:HE*     1:HEM_0C:HMD*          -1.000     7.750     5.000     25.00     25.00     1000.00     0.00
1:METX_55:HE*     1:GLY_51:HA1          -1.000     6.750     5.000     25.00     25.00     1000.00     0.00
1:METX_55:HE*     1:THR_48:HB           4.500     6.750     5.000     25.00     25.00     1000.00     0.00
1:METX_55:HE*     1:HEM_0C:HBD1          -1.000     6.750     5.000     25.00     25.00     1000.00     0.00
1:METX_55:HE*     1:HEM_0C:HBD2          -1.000     6.750     5.000     25.00     25.00     1000.00     0.00
1:METX_55:HE*     1:SER_47:HB1          -1.000     6.180     4.500     25.00     25.00     1000.00     0.00
1:METX_55:HE*     1:HEM_0C:HBC1           4.500     7.900     6.000     25.00     25.00     1000.00     0.00
1:METX_55:HE*     1:HEM_0C:HBC2           4.500     7.900     6.000     25.00     25.00     1000.00     0.00
1:METX_55:HE*     1:GLY_51:HA2          -1.000     6.750     5.000     25.00     25.00     1000.00     0.00
1:METX_55:HE*     1:THR_48:HA          -1.000     5.600     4.000     25.00     25.00     1000.00     0.00
1:METX_55:HE*     1:LEU_44:HD1*          -1.000     8.900     6.000     25.00     25.00     1000.00     0.00
1:METX_55:HE*     1:LEU_44:HD2*          -1.000     8.900     6.000     25.00     25.00     1000.00     0.00
1:METX_55:HE*     1:LYX_52:HD*          -1.000     6.750     5.000     25.00     25.00     1000.00     0.00
1:METX_55:HE*     1:THR_48:HG1          -1.000     6.750     5.000     25.00     25.00     1000.00     0.00
1:METX_55:HE*     1:LYX_52:HG2          -1.000     7.900     6.000     25.00     25.00     1000.00     0.00
1:METX_55:HE*     1:LYX_52:HG1          -1.000     6.750     5.000     25.00     25.00     1000.00     0.00
1:METX_55:HE*     1:LYX_52:HB2          -1.000     6.750     5.000     25.00     25.00     1000.00     0.00
1:METX_55:HE*     1:LYX_52:HB1          -1.000     5.600     4.000     25.00     25.00     1000.00     0.00
1:METX_55:HE*     1:THR_48:HG2*          -1.000     7.750     5.000     25.00     25.00     1000.00     0.00
1:METX_55:HG1     1:HEM_0C:HMB*          -1.000     7.900     6.000     25.00     25.00     1000.00     0.00
1:METX_55:HG1     1:PRO_56:HD1          -1.000     3.680     3.200     25.00     25.00     1000.00     0.00
1:METX_55:HG1     1:PRO_56:HD2          -1.000     5.180     4.500     25.00     25.00     1000.00     0.00
1:METX_55:HG1     1:METX_55:HA          -1.000     4.370     3.800     25.00     25.00     1000.00     0.00
1:METX_55:HG1     1:HEM_0C:HBB*          -1.000     7.900     6.000     25.00     25.00     1000.00     0.00
1:METX_55:HG1     1:THR_48:HA          -1.000     6.900     6.000     25.00     25.00     1000.00     0.00
1:METX_55:HG1     1:HEM_0C:HHB          -1.000     6.900     6.000     25.00     25.00     1000.00     0.00
1:METX_55:HG1     1:METX_55:HN          -1.000     5.750     5.000     25.00     25.00     1000.00     0.00
1:METX_55:HG1     1:TYR_58:HD*          -1.000     7.750     5.000     25.00     25.00     1000.00     0.00
1:METX_55:HG1     1:LYX_52:HN          -1.000     5.750     5.000     25.00     25.00     1000.00     0.00
1:METX_55:HG1     1:TYR_58:HE*          -1.000     8.900     6.000     25.00     25.00     1000.00     0.00
1:METX_55:HG2     1:METX_55:HA          -1.000     5.180     4.500     25.00     25.00     1000.00     0.00
1:METX_55:HG2     1:PRO_56:HD1          -1.000     5.750     5.000     25.00     25.00     1000.00     0.00
1:METX_55:HG2     1:PRO_56:HD2          -1.000     6.900     6.000     25.00     25.00     1000.00     0.00
1:METX_55:HG2     1:THR_48:HA          -1.000     6.900     6.000     25.00     25.00     1000.00     0.00
1:METX_55:HB1     1:HEM_0C:HHB          -1.000     5.750     5.000     25.00     25.00     1000.00     0.00
1:METX_55:HB1     1:ALA_54:HN          -1.000     6.900     6.000     25.00     25.00     1000.00     0.00
1:METX_55:HB1     1:METX_55:HN          -1.000     4.030     3.500     25.00     25.00     1000.00     0.00
1:METX_55:HB1     1:LYX_52:HN          -1.000     4.000     4.000     25.00     25.00     1000.00     0.00
1:METX_55:HB1     1:HEM_0C:HAB          -1.000     6.900     6.000     25.00     25.00     1000.00     0.00
1:METX_55:HB1     1:PRO_56:HD2          -1.000     6.900     6.000     25.00     25.00     1000.00     0.00
1:METX_55:HB1     1:HEM_0C:HMC*          -1.000     7.900     6.000     25.00     25.00     1000.00     0.00
1:METX_55:HB1     1:METX_55:HA          -1.000     4.030     3.500     25.00     25.00     1000.00     0.00
1:METX_55:HB1     1:PRO_56:HD1          -1.000     6.900     6.000     25.00     25.00     1000.00     0.00
1:METX_55:HB1     1:HEM_0C:HBB*          -1.000     7.900     6.000     25.00     25.00     1000.00     0.00
1:METX_55:HB2     1:HEM_0C:HMC*          -1.000     7.900     6.000     25.00     25.00     1000.00     0.00
1:METX_55:HB2     1:METX_55:HA          -1.000     5.750     5.000     25.00     25.00     1000.00     0.00
1:METX_55:HE*     1:METX_55:HB1          -1.000     5.370     3.800     25.00     25.00     1000.00     0.00
1:METX_55:HE*     1:METX_55:HB2          -1.000     5.370     3.800     25.00     25.00     1000.00     0.00
1:METX_55:HE*     1:METX_55:HG1           3.000     6.180     4.500     25.00     25.00     1000.00     0.00
1:METX_55:HE*     1:METX_55:HG2           3.000     6.180     4.500     25.00     25.00     1000.00     0.00
!
#NMR_dihedral
1:TYR_6:N     1:TYR_6:CA     1:TYR_6:CB     1:TYR_6:CG          150.0     -30.0     120.0     120.0     1000
1:CYS_17:N     1:CYS_17:CA     1:CYS_17:CB     1:CYS_17:SG          -90.0     -30.0     120.0     120.0     1000
1:HIZ_18:N     1:HIZ_18:CA     1:HIZ_18:CB     1:HIZ_18:CG          -90.0     -30.0     120.0     120.0     1000
1:TRP_34:N     1:TRP_34:CA     1:TRP_34:CB     1:TRP_34:CG          -90.0     -30.0     120.0     120.0     1000
1:ASX_36:N     1:ASX_36:CA     1:ASX_36:CB     1:ASX_36:CG          -90.0     -30.0     120.0     120.0     1000
1:SER_40:N     1:SER_40:CA     1:SER_40:CB     1:SER_40:OG          -90.0     -30.0     120.0     120.0     1000
1:SER_47:N     1:SER_47:CA     1:SER_47:CB     1:SER_47:OG          -90.0     90.0     120.0     120.0     1000
1:ASX_59:N     1:ASX_59:CA     1:ASX_59:CB     1:ASX_59:CG          150.0     -150.0     120.0     120.0     1000
1:ASX_66:N     1:ASX_66:CA     1:ASX_66:CB     1:ASX_66:CG          -90.0     -30.0     120.0     120.0     1000
1:TYR_58:N     1:TYR_58:CA     1:TYR_58:CB     1:TYR_58:CG          -90.0     -30.0     120.0     120.0     1000
1:TYR_73:N     1:TYR_73:CA     1:TYR_73:CB     1:TYR_73:CG          150.0     -150.0     120.0     120.0     1000


	THE ENTRY HAS NO HYDROGEN ATOM COORDINATE RECORDS.