*HEADER    HYDROLASE                               04-FEB-17   5X38              
*TITLE     SOLUTION STRUCTURE OF THE FAMILY 1 CARBOHYDRATE-BINDING MODULE WITH   
*TITLE    2 GLUCOSYLATED SER3                                                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: EXOGLUCANASE 1;                                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 478-513;                                      
*COMPND   5 SYNONYM: 1,4-BETA-CELLOBIOHYDROLASE,EXOCELLOBIOHYDROLASE I,CBHI,     
*COMPND   6 EXOGLUCANASE I;                                                      
*COMPND   7 EC: 3.2.1.91;                                                        
*COMPND   8 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HYPOCREA JECORINA;                              
*SOURCE   4 ORGANISM_TAXID: 51453                                                
*KEYWDS    CARBOHYDRATE BINDING, HYDROLASE                                       
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    Y.FENG,Z.TAN                                                          
*REVDAT   1   31-MAY-17 5X38    0                                                
# Restraints file 1: all.tbl
assign (resid   24 and name   HN) (resid   36 and name   HN) 2.65 0.85 0.85 ! 0.9851    0:1  Long   2.50, 2.64 A
assign (resid    6 and name   HN) (resid    5 and name   HN) 2.65 0.85 0.85 ! 0.0000    1:1  Seq    2.45, 2.54 A
assign (resid   13 and name   HN) (resid   12 and name   HN) 2.65 0.85 0.85 ! 0.9701    2:1  Seq    2.12, 2.36 A
assign (resid    4 and name  HD2) (resid    5 and name   HN) 2.30 0.50 0.50 ! 0.9559    3:1  Seq    2.00, 2.10 A
assign (resid   33 and name   HA) (resid   34 and name   HN) 3.15 1.35 1.35 ! 0.9841    5:1  Seq    2.20, 2.27 A
assign (resid   35 and name   HA) (resid   36 and name   HN) 3.15 1.35 1.35 ! 0.8948    6:1  Seq    2.03, 2.05 A
assign (resid    1 and name   HB) (resid    2 and name   HN) 3.65 1.85 1.85 ! 0.9631    7:1  Seq    2.69, 3.35 A
assign (resid    4 and name   HA) (resid    5 and name   HN) 2.30 0.50 0.50 ! 0.5261    8:1  Ambig  2.14, 2.15 A
    or (resid    5 and name   HA) (resid    5 and name   HN)                ! 0.4724    8:1  -----  2.18, 2.20 A
assign (resid    1 and name   HA) (resid    2 and name   HN) 3.15 1.35 1.35 ! 0.0000    9:1  Seq    2.04, 2.15 A
assign (resid   11 and name   HA) (resid   12 and name   HN) 2.30 0.50 0.50 ! 0.9991   10:1  Seq    2.11, 2.15 A
assign (resid    3 and name  HB1) (resid    3 and name   HN) 3.15 1.35 1.35 ! 0.9187   11:1  Intra  2.42, 2.55 A
assign (resid   23 and name   HB) (resid   24 and name   HN) 2.30 0.50 0.50 ! 0.9425   12:1  Seq    2.69, 2.79 A
assign (resid   12 and name  HA2) (resid   12 and name   HN) 2.30 0.50 0.50 ! 0.8671   13:1  Intra  2.36, 2.38 A
assign (resid    6 and name  HA1) (resid    3 and name   HN) 3.15 1.35 1.35 ! 0.8606   14:1  Mid    3.39, 3.73 A
assign (resid  101 and name   H5) (resid    3 and name   HN) 2.65 0.85 0.85 ! 0.8667   15:1  Long   2.13, 3.62 A
assign (resid   25 and name  HB2) (resid   26 and name   HN) 3.15 1.35 1.35 ! 0.7317   16:1  Ambig  4.29, 4.40 A
    or (resid   25 and name  HB2) (resid   36 and name   HN)                ! 0.1627   16:1  -----  5.51, 5.72 A
assign (resid   19 and name  HB1) (resid   36 and name   HN) 3.65 1.85 1.85 ! 0.5523   17:1  Ambig  4.72, 4.90 A
    or (resid   14 and name  HB1) (resid   12 and name   HN)                ! 0.2613   17:1  -----  5.34, 5.95 A
assign (resid   35 and name  HB2) (resid    5 and name   HN) 2.65 0.85 0.85 ! 0.9159   18:1  Long   2.65, 2.87 A
assign (resid   35 and name  HB1) (resid   24 and name   HN) 2.65 0.85 0.85 ! 0.4849   19:1  Ambig  3.69, 3.72 A
    or (resid   35 and name  HB1) (resid    5 and name   HN)                ! 0.2952   19:1  -----  4.00, 4.24 A
    or (resid    4 and name  HB2) (resid    5 and name   HN)                ! 0.1938   19:1  -----  4.29, 4.34 A
assign (resid   35 and name  HB2) (resid   36 and name   HN) 3.15 1.35 1.35 ! 0.7265   20:1  Ambig  4.00, 4.07 A
    or (resid   35 and name  HB2) (resid    3 and name   HN)                ! 0.1667   20:1  -----  5.11, 5.48 A
assign (resid   35 and name  HB1) (resid   36 and name   HN) 3.15 1.35 1.35 ! 0.7576   21:1  Ambig  3.20, 3.28 A
    or (resid   25 and name  HB1) (resid   26 and name   HN)                ! 0.1275   21:1  -----  4.31, 4.39 A
assign (resid   33 and name  HB2) (resid   34 and name   HN) 3.15 1.35 1.35 ! 0.7020   22:1  Ambig  3.90, 4.03 A
    or (resid   13 and name  HB2) (resid   12 and name   HN)                ! 0.1764   22:1  -----  4.92, 5.19 A
assign (resid    2 and name  HG1) (resid    3 and name   HN) 3.15 1.35 1.35 ! 0.9964   23:1  Seq    2.21, 2.83 A
assign (resid   26 and name  HG1) (resid   26 and name   HN) 3.15 1.35 1.35 ! 0.7206   24:1  Ambig  2.38, 2.97 A
    or (resid   26 and name  HG1) (resid   36 and name   HN)                ! 0.2695   24:1  -----  2.80, 3.31 A
assign (resid   26 and name  HG2) (resid   26 and name   HN) 2.65 0.85 0.85 ! 0.6708   25:1  Ambig  2.06, 2.92 A
    or (resid   26 and name  HG2) (resid   36 and name   HN)                ! 0.2975   25:1  -----  2.36, 3.75 A
assign (resid   26 and name  HB1) (resid   26 and name   HN) 2.65 0.85 0.85 ! 0.6784   26:1  Ambig  3.58, 3.64 A
    or (resid   26 and name  HB1) (resid   34 and name   HN)                ! 0.1456   26:1  -----  4.63, 4.84 A
assign (resid    2 and name  HB1) (resid    2 and name   HN) 3.65 1.85 1.85 ! 0.0000   27:1  Intra  2.36, 2.55 A
assign (resid    2 and name  HB2) (resid    2 and name   HN) 3.65 1.85 1.85 ! 0.7806   28:1  Ambig  2.59, 2.83 A
    or (resid   16 and name  HB2) (resid    2 and name   HN)                ! 0.2194   28:1  -----  3.20, 4.10 A
assign (resid   26 and name  HB2) (resid   26 and name   HN) 2.30 0.50 0.50 ! 0.7336   29:1  Ambig  2.50, 2.58 A
    or (resid   26 and name  HB2) (resid   34 and name   HN)                ! 0.1880   29:1  -----  3.14, 3.48 A
assign (resid   36 and name  HB*) (resid   36 and name   HN) 2.30 0.50 0.50 ! 0.7548   30:1  Ambig  2.44, 3.13 A
    or (resid   34 and name  HB2) (resid   34 and name   HN)                ! 0.2024   30:1  -----  3.04, 3.22 A
assign (resid   24 and name HG2*) (resid   24 and name   HN) 3.15 1.35 1.35 ! 0.0000   31:1  Intra  3.19, 4.05 A
assign (resid    1 and name HG2*) (resid    2 and name   HN) 3.65 1.85 1.85 ! 0.0000   32:1  Seq    2.24, 3.58 A
assign (resid   36 and name   HG) (resid   36 and name   HN) 3.15 1.35 1.35 ! 0.7458   33:1  Ambig  2.97, 3.11 A
    or (resid   36 and name   HG) (resid   26 and name   HN)                ! 0.1336   33:1  -----  3.96, 4.26 A
assign (resid   11 and name HG2*) (resid   12 and name   HN) 2.65 0.85 0.85 ! 0.9311   34:1  Seq    3.02, 3.89 A
assign (resid   36 and name HD2*) (resid   36 and name   HN) 3.15 1.35 1.35 ! 0.8244   35:1  Intra  4.14, 4.90 A
assign (resid   28 and name HD2*) (resid   34 and name   HN) 2.65 0.85 0.85 ! 0.3641   36:1  Ambig  3.87, 5.22 A
    or (resid   36 and name HD1*) (resid   36 and name   HN)                ! 0.2154   36:1  -----  4.22, 4.93 A
    or (resid   36 and name HD1*) (resid   26 and name   HN)                ! 0.1900   36:1  -----  4.31, 5.42 A
    or (resid   36 and name HD1*) (resid   34 and name   HN)                ! 0.1160   36:1  -----  4.68, 5.61 A
assign (resid   23 and name HG2*) (resid   24 and name   HN) 3.15 1.35 1.35 ! 0.5031   37:1  Ambig  4.11, 4.76 A
    or (resid   23 and name HG2*) (resid    5 and name   HN)                ! 0.4969   37:1  -----  4.12, 5.12 A
assign (resid    5 and name   HN) (resid    6 and name   HN) 3.15 1.35 1.35 ! 0.9744   38:1  Seq    2.45, 2.54 A
assign (resid   23 and name   HN) (resid   22 and name   HN) 2.65 0.85 0.85 ! 0.0000   39:1  Seq    2.05, 2.28 A
assign (resid   32 and name   HN) (resid   31 and name   HN) 2.30 0.50 0.50 ! 0.9946   40:1  Seq    2.07, 2.16 A
assign (resid   18 and name   HN) (resid   17 and name   HN) 2.30 0.50 0.50 ! 0.9992   42:1  Seq    1.90, 2.01 A
assign (resid   31 and name  HD*) (resid   31 and name   HN) 2.65 0.85 0.85 ! 0.9883   43:1  Intra  2.07, 3.59 A
assign (resid    9 and name   HN) (resid   10 and name   HN) 3.15 1.35 1.35 ! 0.8529   44:1  Seq    2.59, 2.76 A
assign (resid   33 and name   HA) (resid   28 and name   HN) 3.15 1.35 1.35 ! 0.9389   45:1  Long   2.09, 2.29 A
assign (resid   15 and name   HN) (resid   14 and name   HN) 3.65 1.85 1.85 ! 0.9943   46:1  Seq    1.96, 2.41 A
assign (resid   24 and name   HA) (resid   25 and name   HN) 3.15 1.35 1.35 ! 0.6020   47:1  Ambig  2.15, 2.22 A
    or (resid    3 and name   HA) (resid    4 and name   HN)                ! 0.3970   47:1  -----  2.31, 2.45 A
assign (resid   16 and name   HA) (resid   17 and name   HN) 3.65 1.85 1.85 ! 0.9988   48:1  Seq    2.08, 2.14 A
assign (resid   21 and name   HA) (resid   22 and name   HN) 2.65 0.85 0.85 ! 0.0000   49:1  Seq    2.07, 2.13 A
assign (resid    3 and name  HB2) (resid    4 and name   HN) 3.15 1.35 1.35 ! 0.8622   50:1  Seq    2.09, 2.43 A
assign (resid   18 and name   HA) (resid   19 and name   HN) 2.65 0.85 0.85 ! 0.9974   51:1  Seq    2.09, 2.13 A
assign (resid    6 and name  HA2) (resid    7 and name   HN) 3.15 1.35 1.35 ! 0.0000   52:1  Seq    2.25, 2.32 A
assign (resid    9 and name  HA2) (resid   10 and name   HN) 3.15 1.35 1.35 ! 0.0000   53:1  Seq    2.22, 2.39 A
assign (resid   21 and name   HA) (resid   21 and name   HN) 3.15 1.35 1.35 ! 0.0000   55:1  Intra  2.72, 2.77 A
assign (resid   31 and name   HA) (resid   11 and name   HN) 3.65 1.85 1.85 ! 0.0000   56:1  Long   1.80, 1.96 A
assign (resid   21 and name  HB*) (resid   22 and name   HN) 3.15 1.35 1.35 ! 0.0000   57:1  Seq    3.33, 3.94 A
assign (resid   24 and name   HB) (resid   25 and name   HN) 2.65 0.85 0.85 ! 0.8764   58:1  Seq    2.62, 2.95 A
assign (resid    4 and name   HA) (resid    4 and name   HN) 3.15 1.35 1.35 ! 0.4790   59:1  Ambig  2.79, 2.82 A
    or (resid    5 and name   HA) (resid    6 and name   HN)                ! 0.3070   59:1  -----  3.01, 3.13 A
    or (resid    4 and name   HA) (resid    6 and name   HN)                ! 0.2074   59:1  -----  3.21, 3.35 A
assign (resid   27 and name   HA) (resid   28 and name   HN) 2.30 0.50 0.50 ! 0.8405   60:1  Seq    2.06, 2.11 A
assign (resid   10 and name  HA2) (resid   10 and name   HN) 2.30 0.50 0.50 ! 0.6983   61:1  Ambig  2.91, 2.92 A
    or (resid    9 and name  HA1) (resid   10 and name   HN)                ! 0.2585   61:1  -----  3.43, 3.49 A
assign (resid   20 and name   HA) (resid   21 and name   HN) 2.65 0.85 0.85 ! 0.9833   63:1  Seq    2.18, 2.30 A
assign (resid   21 and name  HB*) (resid   21 and name   HN) 2.65 0.85 0.85 ! 0.0000   64:1  Intra  2.44, 3.01 A
assign (resid   10 and name  HA2) (resid   11 and name   HN) 2.30 0.50 0.50 ! 0.9961   65:1  Seq    2.24, 2.39 A
assign (resid   22 and name  HA2) (resid   22 and name   HN) 2.65 0.85 0.85 ! 0.0000   66:1  Intra  2.33, 2.44 A
assign (resid    6 and name  HA1) (resid    6 and name   HN) 2.65 0.85 0.85 ! 0.9929   67:1  Intra  2.25, 2.31 A
assign (resid   19 and name  HB1) (resid   19 and name   HN) 3.15 1.35 1.35 ! 0.9896   68:1  Intra  3.52, 3.53 A
assign (resid    6 and name  HA1) (resid    7 and name   HN) 2.65 0.85 0.85 ! 0.9918   69:1  Seq    2.68, 2.88 A
assign (resid   30 and name  HD2) (resid   31 and name   HN) 3.65 1.85 1.85 ! 0.9841   71:1  Seq    2.46, 2.75 A
assign (resid   33 and name  HB1) (resid   28 and name   HN) 3.15 1.35 1.35 ! 0.5135   72:1  Ambig  3.88, 4.24 A
    or (resid   33 and name  HB1) (resid   27 and name   HN)                ! 0.3119   72:1  -----  4.22, 4.50 A
assign (resid   14 and name  HB1) (resid   14 and name   HN) 3.15 1.35 1.35 ! 0.9872   73:1  Intra  2.93, 3.19 A
assign (resid   25 and name  HB2) (resid   25 and name   HN) 2.30 0.50 0.50 ! 0.0000   74:1  Intra  2.46, 2.62 A
assign (resid    4 and name  HB1) (resid    5 and name   HN) 3.15 1.35 1.35 ! 0.0000   75:1  Seq    3.92, 3.98 A
assign (resid    4 and name  HB1) (resid    4 and name   HN) 2.65 0.85 0.85 ! 0.9782   76:1  Intra  2.67, 2.72 A
assign (resid   31 and name  HB1) (resid   31 and name   HN) 3.15 1.35 1.35 ! 0.0000   77:1  Intra  3.55, 3.56 A
assign (resid  101 and name   H2) (resid    3 and name   HN) 3.65 1.85 1.85 ! 0.0000   78:1  Long   4.34, 4.60 A
assign (resid   29 and name  HB*) (resid   29 and name   HN) 2.65 0.85 0.85 ! 0.6435   79:1  Ambig  2.63, 3.49 A
    or (resid   29 and name  HB*) (resid   31 and name   HN)                ! 0.3351   79:1  -----  2.94, 3.67 A
assign (resid    4 and name  HB2) (resid    4 and name   HN) 2.30 0.50 0.50 ! 0.6079   80:1  Ambig  2.22, 2.33 A
    or (resid   25 and name  HB1) (resid   25 and name   HN)                ! 0.3709   80:1  -----  2.42, 2.47 A
assign (resid   35 and name  HB2) (resid    6 and name   HN) 2.65 0.85 0.85 ! 0.8287   81:1  Long   2.99, 3.21 A
assign (resid   31 and name  HB2) (resid   31 and name   HN) 2.30 0.50 0.50 ! 0.0000   82:1  Intra  2.31, 2.40 A
assign (resid   13 and name  HB2) (resid   10 and name   HN) 3.15 1.35 1.35 ! 0.6744   83:1  Ambig  2.86, 3.23 A
    or (resid   33 and name  HB2) (resid   10 and name   HN)                ! 0.1804   83:1  -----  3.56, 3.91 A
assign (resid   35 and name  HB2) (resid   35 and name   HN) 2.65 0.85 0.85 ! 0.9916   84:1  Intra  2.64, 2.69 A
assign (resid   35 and name  HB1) (resid   35 and name   HN) 3.15 1.35 1.35 ! 0.8215   85:1  Intra  3.53, 3.54 A
assign (resid   13 and name  HB1) (resid   14 and name   HN) 3.15 1.35 1.35 ! 0.4704   86:1  Ambig  4.05, 4.35 A
    or (resid   31 and name  HB2) (resid   11 and name   HN)                ! 0.2961   86:1  -----  4.37, 4.86 A
    or (resid   13 and name  HB1) (resid   11 and name   HN)                ! 0.2336   86:1  -----  4.55, 5.00 A
assign (resid   13 and name  HB2) (resid   14 and name   HN) 3.15 1.35 1.35 ! 0.5785   87:1  Ambig  4.17, 4.38 A
    or (resid   13 and name  HB2) (resid   11 and name   HN)                ! 0.2490   87:1  -----  4.80, 5.55 A
assign (resid    2 and name  HG1) (resid    2 and name HE21) 3.15 1.35 1.35 ! 0.0000   88:1  Intra  2.93, 3.14 A
assign (resid   32 and name  HB1) (resid   29 and name   HN) 3.15 1.35 1.35 ! 0.8332   89:1  Mid    2.93, 3.42 A
assign (resid    2 and name  HG2) (resid    2 and name HE21) 2.65 0.85 0.85 ! 0.9941   90:1  Intra  2.12, 2.17 A
assign (resid    2 and name  HG1) (resid    2 and name   HN) 3.65 1.85 1.85 ! 0.0000   91:1  Intra  4.31, 4.46 A
assign (resid   19 and name  HB2) (resid   19 and name   HN) 2.30 0.50 0.50 ! 0.9026   92:1  Intra  2.37, 2.41 A
assign (resid   34 and name  HB1) (resid   34 and name   HN) 2.65 0.85 0.85 ! 0.8477   93:1  Intra  2.55, 2.66 A
assign (resid    7 and name  HB2) (resid    7 and name   HN) 2.30 0.50 0.50 ! 0.7773   94:1  Ambig  2.50, 2.62 A
    or (resid   26 and name  HB1) (resid   27 and name   HN)                ! 0.2207   94:1  -----  3.08, 3.31 A
assign (resid   34 and name  HG1) (resid   35 and name   HN) 3.15 1.35 1.35 ! 0.0000   95:1  Seq    2.82, 3.05 A
assign (resid   16 and name  HB1) (resid   17 and name   HN) 3.15 1.35 1.35 ! 0.0000   96:1  Seq    3.52, 3.88 A
assign (resid   18 and name   HB) (resid   19 and name   HN) 3.65 1.85 1.85 ! 0.8009   97:1  Seq    4.25, 4.29 A
assign (resid   28 and name  HB2) (resid   29 and name   HN) 2.30 0.50 0.50 ! 0.4102   98:1  Ambig  2.26, 2.60 A
    or (resid   28 and name  HB2) (resid   28 and name   HN)                ! 0.2732   98:1  -----  2.41, 2.46 A
    or (resid   27 and name   HB) (resid   27 and name   HN)                ! 0.2717   98:1  -----  2.42, 2.49 A
assign (resid   28 and name   HG) (resid   28 and name   HN) 2.30 0.50 0.50 ! 0.8505   99:1  Intra  2.22, 2.42 A
assign (resid   34 and name  HG2) (resid   35 and name   HN) 2.65 0.85 0.85 ! 0.0000  100:1  Seq    2.86, 3.11 A
assign (resid    7 and name  HB1) (resid    7 and name   HN) 2.65 0.85 0.85 ! 0.0000  101:1  Intra  2.39, 2.50 A
assign (resid   11 and name HG11) (resid   11 and name   HN) 2.65 0.85 0.85 ! 0.0000  103:1  Intra  1.99, 2.10 A
assign (resid   24 and name HG2*) (resid   25 and name   HN) 3.15 1.35 1.35 ! 0.0000  104:1  Seq    3.50, 4.51 A
assign (resid   20 and name  HB*) (resid    4 and name   HN) 3.15 1.35 1.35 ! 0.8960  105:1  Long   3.92, 5.01 A
assign (resid    1 and name HG2*) (resid   21 and name   HN) 3.65 1.85 1.85 ! 0.0000  106:1  Long   3.06, 4.57 A
assign (resid   20 and name  HB*) (resid   21 and name   HN) 2.30 0.50 0.50 ! 0.8639  107:1  Seq    2.19, 3.46 A
assign (resid   11 and name   HB) (resid   11 and name   HN) 2.65 0.85 0.85 ! 0.0000  108:1  Intra  2.45, 2.54 A
assign (resid   18 and name HG1*) (resid   19 and name   HN) 2.65 0.85 0.85 ! 0.8589  109:1  Seq    3.21, 3.81 A
assign (resid   27 and name HG2*) (resid   27 and name   HN) 2.30 0.50 0.50 ! 0.8898  110:1  Intra  2.18, 3.17 A
assign (resid   27 and name HG1*) (resid   29 and name   HN) 2.30 0.50 0.50 ! 0.6835  111:1  Ambig  2.89, 3.88 A
    or (resid   27 and name HG1*) (resid   28 and name   HN)                ! 0.2303  111:1  -----  3.46, 4.11 A
assign (resid   11 and name HG12) (resid   11 and name   HN) 2.65 0.85 0.85 ! 0.5547  112:1  Ambig  3.24, 3.37 A
    or (resid   18 and name HG2*) (resid   17 and name   HN)                ! 0.4336  112:1  -----  3.37, 4.74 A
assign (resid   11 and name HG2*) (resid   11 and name   HN) 3.15 1.35 1.35 ! 0.8854  113:1  Intra  4.35, 4.53 A
assign (resid   23 and name HG2*) (resid    4 and name   HN) 3.65 1.85 1.85 ! 0.9495  114:1  Long   3.30, 4.70 A
assign (resid   11 and name HD1*) (resid   11 and name   HN) 3.15 1.35 1.35 ! 0.0000  115:1  Intra  3.84, 4.39 A
assign (resid   12 and name   HN) (resid   13 and name   HN) 2.65 0.85 0.85 ! 0.9746  116:1  Seq    2.12, 2.36 A
assign (resid   22 and name   HN) (resid   23 and name   HN) 2.65 0.85 0.85 ! 0.0000  117:1  Seq    2.05, 2.28 A
assign (resid   31 and name   HN) (resid   32 and name   HN) 2.30 0.50 0.50 ! 0.0000  118:1  Seq    2.07, 2.16 A
assign (resid   29 and name   HN) (resid   32 and name   HN) 3.15 1.35 1.35 ! 0.9786  119:1  Mid    3.33, 3.52 A
assign (resid    9 and name   HN) (resid    8 and name   HN) 2.30 0.50 0.50 ! 0.9562  122:1  Seq    2.10, 2.46 A
assign (resid   21 and name   HA) (resid   23 and name   HN) 3.65 1.85 1.85 ! 0.0000  124:1  Mid    3.22, 3.42 A
assign (resid    7 and name   HA) (resid    8 and name   HN) 3.15 1.35 1.35 ! 0.0000  125:1  Seq    2.08, 2.14 A
assign (resid   20 and name   HA) (resid   20 and name   HN) 3.15 1.35 1.35 ! 0.9720  126:1  Intra  2.71, 2.75 A
assign (resid   11 and name   HA) (resid   13 and name   HN) 3.15 1.35 1.35 ! 0.9687  127:1  Mid    3.29, 3.50 A
assign (resid    5 and name   HA) (resid   34 and name HE21) 3.15 1.35 1.35 ! 0.9983  128:1  Long   2.20, 2.37 A
assign (resid   22 and name  HA2) (resid   23 and name   HN) 3.15 1.35 1.35 ! 0.0000  129:1  Seq    3.25, 3.38 A
assign (resid   19 and name  HB1) (resid   20 and name   HN) 2.65 0.85 0.85 ! 0.0000  130:1  Seq    2.93, 3.12 A
assign (resid   12 and name  HA2) (resid   13 and name   HN) 3.15 1.35 1.35 ! 0.0000  131:1  Seq    3.17, 3.32 A
assign (resid   29 and name  HB*) (resid   29 and name HD21) 2.30 0.50 0.50 ! 0.0000  132:1  Intra  2.10, 2.82 A
assign (resid    5 and name  HB2) (resid   34 and name HE21) 3.15 1.35 1.35 ! 0.0000  134:1  Long   3.66, 3.99 A
assign (resid   35 and name  HB1) (resid   20 and name   HN) 3.15 1.35 1.35 ! 0.0000  135:1  Long   4.19, 4.46 A
assign (resid   13 and name  HB1) (resid   13 and name   HN) 2.30 0.50 0.50 ! 0.9954  136:1  Intra  2.33, 2.47 A
assign (resid   13 and name  HB2) (resid   13 and name   HN) 2.30 0.50 0.50 ! 0.5626  137:1  Ambig  2.73, 2.90 A
    or (resid    8 and name  HB1) (resid    8 and name   HN)                ! 0.4332  137:1  -----  2.85, 2.95 A
assign (resid    5 and name  HB1) (resid   34 and name HE21) 2.65 0.85 0.85 ! 0.9984  138:1  Long   2.12, 2.55 A
assign (resid   32 and name  HB1) (resid   29 and name HD21) 2.65 0.85 0.85 ! 0.8921  140:1  Mid    1.79, 2.45 A
assign (resid   19 and name  HB2) (resid   20 and name   HN) 3.15 1.35 1.35 ! 0.9152  141:1  Seq    3.94, 4.07 A
assign (resid    2 and name  HB1) (resid    2 and name HE21) 3.65 1.85 1.85 ! 0.0000  142:1  Intra  4.01, 4.34 A
assign (resid    7 and name  HG1) (resid    8 and name   HN) 2.65 0.85 0.85 ! 0.7355  143:1  Ambig  3.09, 3.34 A
    or (resid    2 and name  HG2) (resid    8 and name   HN)                ! 0.2588  143:1  -----  3.68, 4.09 A
assign (resid   34 and name  HB1) (resid   35 and name   HN) 3.65 1.85 1.85 ! 0.7174  144:1  Ambig  4.10, 4.24 A
    or (resid    2 and name  HB1) (resid   35 and name   HN)                ! 0.2826  144:1  -----  4.78, 5.15 A
assign (resid   34 and name  HG1) (resid   34 and name HE21) 2.65 0.85 0.85 ! 0.0000  145:1  Intra  2.14, 2.19 A
assign (resid   28 and name  HB1) (resid   29 and name HD21) 3.15 1.35 1.35 ! 0.9745  147:1  Seq    2.44, 3.18 A
assign (resid   34 and name  HG2) (resid   34 and name HE21) 2.65 0.85 0.85 ! 0.0000  148:1  Intra  2.98, 3.15 A
assign (resid   20 and name  HB*) (resid   20 and name   HN) 2.30 0.50 0.50 ! 0.0000  149:1  Intra  2.35, 2.88 A
assign (resid   23 and name HG2*) (resid   23 and name   HN) 3.15 1.35 1.35 ! 0.0000  150:1  Intra  2.61, 3.61 A
assign (resid   31 and name   HN) (resid   31 and name  HD*) 2.65 0.85 0.85 ! 0.9925  152:1  Intra  2.07, 3.59 A
assign (resid   17 and name   HN) (resid   18 and name   HN) 2.30 0.50 0.50 ! 0.9992  153:1  Seq    1.90, 2.01 A
assign (resid   13 and name   HN) (resid   13 and name  HD*) 3.15 1.35 1.35 ! 0.6329  154:1  Ambig  4.36, 4.76 A
    or (resid    8 and name   HN) (resid   13 and name  HD*)                ! 0.3671  154:1  -----  4.77, 6.46 A
assign (resid   18 and name   HA) (resid   18 and name   HN) 3.15 1.35 1.35 ! 0.9879  166:1  Intra  2.82, 2.88 A
assign (resid    9 and name  HA2) (resid   13 and name  HD*) 3.15 1.35 1.35 ! 0.0000  167:1  Mid    1.93, 4.20 A
assign (resid   23 and name   HB) (resid    4 and name  HD2) 3.65 1.85 1.85 ! 0.9789  168:1  Long   3.04, 3.36 A
assign (resid    9 and name  HA1) (resid   13 and name  HD*) 3.15 1.35 1.35 ! 0.8730  169:1  Mid    3.45, 5.82 A
assign (resid   30 and name  HD2) (resid   31 and name  HD*) 3.15 1.35 1.35 ! 0.9895  170:1  Seq    2.70, 4.99 A
assign (resid   29 and name  HB*) (resid   29 and name HD22) 2.65 0.85 0.85 ! 0.5946  171:1  Ambig  3.42, 3.76 A
    or (resid   29 and name  HB*) (resid   31 and name  HD*)                ! 0.4054  171:1  -----  3.64, 6.48 A
assign (resid   31 and name  HB1) (resid   31 and name  HD*) 2.30 0.50 0.50 ! 0.9975  172:1  Intra  2.31, 3.05 A
assign (resid   13 and name  HB1) (resid    7 and name HE21) 3.15 1.35 1.35 ! 0.8176  173:1  Long   3.75, 3.99 A
assign (resid   13 and name  HB2) (resid    7 and name HE21) 2.65 0.85 0.85 ! 0.6525  174:1  Ambig  3.37, 3.68 A
    or (resid   32 and name  HB2) (resid    7 and name HE21)                ! 0.2285  174:1  -----  4.01, 4.35 A
assign (resid   31 and name  HB2) (resid   31 and name  HD*) 2.30 0.50 0.50 ! 0.9238  177:1  Intra  2.35, 3.05 A
assign (resid   13 and name  HB2) (resid    7 and name HE22) 2.65 0.85 0.85 ! 0.8899  178:1  Long   2.90, 3.07 A
assign (resid   13 and name  HB1) (resid   13 and name  HD*) 2.30 0.50 0.50 ! 0.0000  179:1  Intra  2.25, 3.02 A
assign (resid    2 and name  HG1) (resid    2 and name HE22) 3.15 1.35 1.35 ! 0.9503  180:1  Intra  3.77, 3.89 A
assign (resid   32 and name  HB1) (resid   29 and name HD22) 3.15 1.35 1.35 ! 0.9992  181:1  Mid    1.77, 2.49 A
assign (resid   26 and name  HG1) (resid   26 and name HE21) 3.15 1.35 1.35 ! 0.0000  182:1  Intra  2.17, 2.44 A
assign (resid    2 and name  HG2) (resid    2 and name HE22) 2.65 0.85 0.85 ! 0.8937  183:1  Intra  3.44, 3.47 A
assign (resid    7 and name  HB2) (resid    8 and name   HN) 3.15 1.35 1.35 ! 0.0000  184:1  Seq    4.19, 4.27 A
assign (resid    7 and name  HG1) (resid    7 and name HE21) 2.65 0.85 0.85 ! 0.0000  185:1  Intra  2.31, 2.35 A
assign (resid   26 and name  HG2) (resid   26 and name HE21) 3.15 1.35 1.35 ! 0.9757  186:1  Intra  2.13, 2.64 A
assign (resid   26 and name  HG1) (resid   26 and name HE22) 3.65 1.85 1.85 ! 0.9820  187:1  Intra  3.44, 3.56 A
assign (resid    7 and name  HG1) (resid    7 and name HE22) 3.15 1.35 1.35 ! 0.0000  188:1  Intra  3.48, 3.51 A
assign (resid   16 and name  HG2) (resid    2 and name HE22) 2.30 0.50 0.50 ! 0.8338  189:1  Long   1.89, 2.46 A
assign (resid   16 and name  HB2) (resid    2 and name HE22) 3.15 1.35 1.35 ! 0.6722  190:1  Ambig  2.75, 3.56 A
    or (resid    2 and name  HB2) (resid   18 and name   HN)                ! 0.1985  190:1  -----  3.37, 4.07 A
assign (resid    7 and name  HG2) (resid    7 and name HE21) 2.65 0.85 0.85 ! 0.0000  191:1  Intra  2.90, 2.96 A
assign (resid   11 and name   HB) (resid   31 and name  HD*) 3.15 1.35 1.35 ! 0.9985  192:1  Long   2.12, 3.68 A
assign (resid   17 and name HG2*) (resid   13 and name  HD*) 3.15 1.35 1.35 ! 0.0000  193:1  Mid    2.76, 5.73 A
assign (resid   18 and name HG2*) (resid   18 and name   HN) 2.30 0.50 0.50 ! 0.9857  194:1  Intra  2.16, 3.17 A
assign (resid   11 and name HG2*) (resid   31 and name  HD*) 3.15 1.35 1.35 ! 0.0000  195:1  Long   3.21, 5.65 A
assign (resid   11 and name HD1*) (resid   31 and name  HD*) 3.65 1.85 1.85 ! 0.0000  196:1  Long   3.46, 5.41 A
assign (resid    5 and name   HN) (resid    4 and name  HD2) 2.65 0.85 0.85 ! 0.9599  197:1  Seq    2.00, 2.10 A
assign (resid    4 and name  HE1) (resid    5 and name  HE*) 3.65 1.85 1.85 ! 0.9749  199:1  Seq    3.46, 5.12 A
assign (resid    8 and name   HN) (resid    9 and name   HN) 2.30 0.50 0.50 ! 0.9562  200:1  Seq    2.10, 2.46 A
assign (resid   32 and name   HN) (resid   33 and name   HN) 3.15 1.35 1.35 ! 0.8784  201:1  Seq    4.23, 4.28 A
assign (resid    5 and name  HD*) (resid    5 and name  HE*) 2.30 0.50 0.50 ! 0.9584  207:1  Intra  2.45, 3.68 A
assign (resid   32 and name  HE*) (resid   32 and name  HD*) 2.30 0.50 0.50 ! 0.0000  208:1  Intra  2.43, 3.68 A
assign (resid    5 and name  HE*) (resid    5 and name  HD*) 2.30 0.50 0.50 ! 0.9584  209:1  Intra  2.45, 3.68 A
assign (resid    9 and name  HA2) (resid    9 and name   HN) 3.15 1.35 1.35 ! 0.9740  210:1  Intra  2.63, 2.71 A
assign (resid    4 and name   HA) (resid    4 and name  HD2) 2.65 0.85 0.85 ! 0.5926  211:1  Ambig  2.26, 2.34 A
    or (resid    5 and name   HA) (resid    5 and name  HD*)                ! 0.3520  211:1  -----  2.46, 3.49 A
assign (resid    9 and name  HA1) (resid    9 and name   HN) 2.65 0.85 0.85 ! 0.7599  212:1  Ambig  2.65, 2.86 A
    or (resid   10 and name  HA2) (resid   33 and name   HN)                ! 0.1836  212:1  -----  3.36, 3.99 A
assign (resid   33 and name  HB1) (resid    9 and name   HN) 3.15 1.35 1.35 ! 0.6271  213:1  Ambig  3.40, 4.05 A
    or (resid   33 and name  HB1) (resid   33 and name   HN)                ! 0.3729  213:1  -----  3.71, 3.76 A
assign (resid   15 and name  HA1) (resid   13 and name  HE*) 3.15 1.35 1.35 ! 0.0000  214:1  Mid    2.87, 3.72 A
assign (resid    5 and name  HB2) (resid    5 and name  HD*) 2.30 0.50 0.50 ! 0.9855  215:1  Intra  2.32, 3.03 A
assign (resid    4 and name  HB1) (resid    5 and name  HD*) 2.65 0.85 0.85 ! 0.8812  216:1  Seq    2.61, 4.71 A
assign (resid   13 and name  HB2) (resid   13 and name  HD*) 2.65 0.85 0.85 ! 0.0000  217:1  Intra  2.42, 3.06 A
assign (resid   32 and name  HB2) (resid   32 and name  HD*) 2.30 0.50 0.50 ! 0.9939  218:1  Intra  2.50, 3.06 A
assign (resid    5 and name  HB1) (resid    5 and name  HD*) 2.30 0.50 0.50 ! 0.8858  219:1  Intra  2.36, 3.05 A
assign (resid    4 and name  HB2) (resid    4 and name  HD2) 2.65 0.85 0.85 ! 0.4946  220:1  Ambig  3.62, 3.67 A
    or (resid   35 and name  HB1) (resid    4 and name  HD2)                ! 0.2688  220:1  -----  4.01, 4.23 A
    or (resid    4 and name  HB2) (resid    5 and name  HD*)                ! 0.2080  220:1  -----  4.18, 6.10 A
assign (resid   33 and name  HB2) (resid    9 and name   HN) 2.30 0.50 0.50 ! 0.8618  221:1  Long   1.88, 2.46 A
assign (resid    5 and name  HB1) (resid   34 and name HE22) 3.15 1.35 1.35 ! 0.9968  222:1  Long   2.91, 3.04 A
assign (resid   13 and name  HB2) (resid   13 and name  HE*) 3.15 1.35 1.35 ! 0.3499  223:1  Ambig  4.66, 5.04 A
    or (resid   32 and name  HB2) (resid   32 and name  HE*)                ! 0.3355  223:1  -----  4.69, 5.04 A
    or (resid    8 and name  HB1) (resid   13 and name  HE*)                ! 0.3146  223:1  -----  4.74, 7.22 A
assign (resid   32 and name  HB1) (resid   32 and name  HD*) 2.30 0.50 0.50 ! 0.0000  224:1  Intra  2.22, 3.01 A
assign (resid    7 and name  HG1) (resid   32 and name  HD*) 3.15 1.35 1.35 ! 0.0000  225:1  Long   2.60, 4.58 A
assign (resid    7 and name  HG1) (resid   33 and name   HN) 2.65 0.85 0.85 ! 0.9001  226:1  Long   2.10, 2.24 A
assign (resid   26 and name  HG2) (resid   26 and name HE22) 3.15 1.35 1.35 ! 0.8021  227:1  Intra  3.41, 3.65 A
assign (resid   34 and name  HG1) (resid   34 and name HE22) 3.15 1.35 1.35 ! 0.9657  228:1  Intra  3.44, 3.46 A
assign (resid   34 and name  HG2) (resid   34 and name HE22) 3.15 1.35 1.35 ! 0.5552  229:1  Ambig  3.78, 3.87 A
    or (resid    7 and name  HB2) (resid   33 and name   HN)                ! 0.2716  229:1  -----  4.25, 4.44 A
assign (resid    7 and name  HG1) (resid   32 and name  HE*) 3.15 1.35 1.35 ! 0.6824  230:1  Ambig  3.29, 5.14 A
    or (resid    2 and name  HG2) (resid   13 and name  HE*)                ! 0.2333  230:1  -----  3.93, 5.67 A
assign (resid   34 and name  HG1) (resid   32 and name  HE*) 3.65 1.85 1.85 ! 0.0000  231:1  Mid    4.07, 4.89 A
assign (resid    7 and name  HB2) (resid   32 and name  HE*) 2.65 0.85 0.85 ! 0.9903  232:1  Long   2.07, 4.45 A
assign (resid   28 and name  HB2) (resid   32 and name  HD*) 2.65 0.85 0.85 ! 0.0000  233:1  Mid    2.11, 4.19 A
assign (resid   28 and name  HB1) (resid   32 and name  HD*) 2.65 0.85 0.85 ! 0.7083  234:1  Ambig  3.09, 5.48 A
    or (resid   28 and name   HG) (resid   32 and name  HD*)                ! 0.2917  234:1  -----  3.58, 5.61 A
assign (resid   34 and name  HB1) (resid   32 and name  HE*) 3.15 1.35 1.35 ! 0.5182  235:1  Ambig  3.53, 4.73 A
    or (resid   28 and name  HB2) (resid   32 and name  HE*)                ! 0.4516  235:1  -----  3.61, 5.42 A
assign (resid   36 and name  HB*) (resid   26 and name HE22) 3.65 1.85 1.85 ! 0.9714  236:1  Long   2.24, 3.66 A
assign (resid    7 and name  HB1) (resid   13 and name  HE*) 2.65 0.85 0.85 ! 0.6140  237:1  Ambig  3.53, 4.04 A
    or (resid    7 and name  HB1) (resid   32 and name  HE*)                ! 0.3860  237:1  -----  3.82, 6.15 A
assign (resid   34 and name  HB2) (resid   32 and name  HE*) 2.65 0.85 0.85 ! 0.9774  238:1  Mid    2.47, 3.59 A
assign (resid   28 and name HD1*) (resid   32 and name  HD*) 2.65 0.85 0.85 ! 0.0000  239:1  Mid    2.04, 4.96 A
assign (resid    7 and name  HG2) (resid    9 and name   HN) 2.30 0.50 0.50 ! 0.9438  240:1  Mid    2.08, 2.36 A
assign (resid   36 and name HD2*) (resid   34 and name HE22) 3.15 1.35 1.35 ! 0.0000  241:1  Mid    3.31, 4.61 A
assign (resid   28 and name HD1*) (resid   32 and name  HE*) 2.65 0.85 0.85 ! 0.0000  242:1  Mid    1.96, 4.54 A
assign (resid   17 and name HG2*) (resid   13 and name  HE*) 2.65 0.85 0.85 ! 0.0000  243:1  Mid    2.78, 5.86 A
assign (resid   36 and name HD2*) (resid    5 and name  HD*) 2.30 0.50 0.50 ! 0.6606  244:1  Ambig  2.49, 4.61 A
    or (resid   36 and name HD2*) (resid    4 and name  HD2)                ! 0.3314  244:1  -----  2.79, 4.16 A
assign (resid   11 and name HG2*) (resid   31 and name  HE*) 2.65 0.85 0.85 ! 0.0000  245:1  Long   2.80, 5.10 A
assign (resid   36 and name HD2*) (resid    5 and name  HE*) 2.65 0.85 0.85 ! 0.0000  246:1  Long   2.62, 4.60 A
assign (resid   23 and name HG2*) (resid    4 and name  HD2) 3.15 1.35 1.35 ! 0.9734  247:1  Long   3.00, 3.73 A
assign (resid   11 and name HD1*) (resid   31 and name  HE*) 3.15 1.35 1.35 ! 0.0000  248:1  Long   2.90, 4.98 A
assign (resid   24 and name   HN) (resid   35 and name   HA) 3.15 1.35 1.35 ! 0.0000  249:1  Long   3.66, 3.76 A
assign (resid   34 and name   HN) (resid   33 and name   HA) 2.30 0.50 0.50 ! 0.9945  251:1  Seq    2.20, 2.27 A
assign (resid   36 and name   HN) (resid   35 and name   HA) 2.30 0.50 0.50 ! 0.8948  252:1  Seq    2.03, 2.05 A
assign (resid   28 and name   HN) (resid   33 and name   HA) 2.30 0.50 0.50 ! 0.9809  254:1  Long   2.09, 2.29 A
assign (resid   29 and name   HN) (resid   29 and name   HA) 2.65 0.85 0.85 ! 0.0000  255:1  Intra  2.79, 2.86 A
assign (resid   14 and name   HN) (resid   15 and name   HN) 2.65 0.85 0.85 ! 0.9943  256:1  Seq    1.96, 2.41 A
assign (resid   35 and name   HN) (resid   35 and name   HA) 2.65 0.85 0.85 ! 0.0000  257:1  Intra  2.82, 2.84 A
assign (resid   17 and name   HN) (resid    2 and name   HA) 4.15 2.35 2.35 ! 0.0000  258:1  Long   5.52, 5.54 A
assign (resid    8 and name   HN) (resid    8 and name   HA) 3.15 1.35 1.35 ! 0.8975  259:1  Intra  2.92, 2.94 A
assign (resid   29 and name HD21) (resid   29 and name   HA) 3.65 1.85 1.85 ! 0.0000  260:1  Intra  3.17, 3.89 A
assign (resid   33 and name   HN) (resid   33 and name   HA) 2.65 0.85 0.85 ! 0.5919  261:1  Ambig  2.91, 2.93 A
    or (resid    9 and name   HN) (resid    8 and name   HA)                ! 0.3574  261:1  -----  3.17, 3.30 A
assign (resid   13 and name  HE1) (resid   15 and name   HN) 2.65 0.85 0.85 ! 0.8737  262:1  Ambig  2.44, 5.05 A
    or (resid   13 and name  HE2) (resid   15 and name   HN)                ! 0.0000  262:1  -----  0.00, 0.00 A
    or (resid   13 and name  HE1) (resid    8 and name   HA)                ! 0.0000  262:1  -----  0.00, 0.00 A
    or (resid   13 and name  HE2) (resid    8 and name   HA)                ! 0.0000  262:1  -----  0.00, 0.00 A
assign (resid   27 and name   HA) (resid   33 and name   HA) 2.65 0.85 0.85 ! 0.8511  263:1  Long   2.15, 2.32 A
assign (resid   30 and name  HD1) (resid   29 and name   HA) 2.65 0.85 0.85 ! 0.0000  264:1  Seq    2.06, 2.19 A
assign (resid    8 and name  HB2) (resid    8 and name   HA) 2.65 0.85 0.85 ! 0.9978  265:1  Intra  2.40, 2.45 A
assign (resid   15 and name  HA1) (resid   15 and name   HN) 2.65 0.85 0.85 ! 0.9961  266:1  Intra  2.24, 2.29 A
assign (resid   33 and name  HB1) (resid   33 and name   HA) 2.30 0.50 0.50 ! 0.9470  267:1  Intra  2.42, 2.44 A
assign (resid   30 and name  HD2) (resid   29 and name   HA) 2.65 0.85 0.85 ! 0.0000  268:1  Seq    3.12, 3.28 A
assign (resid   29 and name  HB*) (resid   29 and name   HA) 2.30 0.50 0.50 ! 0.0000  269:1  Intra  2.43, 2.62 A
assign (resid    8 and name  HB1) (resid    8 and name   HA) 2.30 0.50 0.50 ! 0.9809  270:1  Intra  2.31, 2.35 A
assign (resid   35 and name  HB2) (resid   35 and name   HA) 2.65 0.85 0.85 ! 0.0000  271:1  Intra  3.00, 3.01 A
assign (resid   35 and name  HB1) (resid   35 and name   HA) 2.65 0.85 0.85 ! 0.9911  272:1  Intra  2.22, 2.25 A
assign (resid   30 and name  HG2) (resid   29 and name   HA) 3.65 1.85 1.85 ! 0.0000  273:1  Seq    4.72, 4.82 A
assign (resid    2 and name  HB1) (resid    8 and name   HA) 3.15 1.35 1.35 ! 0.5261  274:1  Ambig  3.38, 3.72 A
    or (resid   28 and name  HB2) (resid   33 and name   HA)                ! 0.4739  274:1  -----  3.44, 3.81 A
assign (resid   28 and name   HG) (resid   33 and name   HA) 3.15 1.35 1.35 ! 0.8332  275:1  Long   2.91, 3.37 A
assign (resid   30 and name  HG1) (resid   29 and name   HA) 3.15 1.35 1.35 ! 0.6314  276:1  Ambig  4.11, 4.17 A
    or (resid   28 and name  HB2) (resid   29 and name   HA)                ! 0.3686  276:1  -----  4.50, 4.78 A
assign (resid   17 and name HG2*) (resid    8 and name   HA) 3.15 1.35 1.35 ! 0.5999  277:1  Ambig  3.20, 4.86 A
    or (resid   17 and name HG2*) (resid   15 and name   HN)                ! 0.4001  277:1  -----  3.43, 4.75 A
assign (resid   27 and name HG1*) (resid   33 and name   HA) 3.65 1.85 1.85 ! 0.0000  278:1  Long   3.93, 4.91 A
assign (resid   27 and name HG1*) (resid   29 and name   HA) 3.15 1.35 1.35 ! 0.0000  279:1  Mid    3.33, 4.53 A
assign (resid   24 and name   HN) (resid   23 and name   HA) 2.30 0.50 0.50 ! 0.9979  280:1  Seq    2.22, 2.29 A
assign (resid   24 and name   HN) (resid   24 and name   HA) 2.65 0.85 0.85 ! 0.8881  281:1  Intra  2.88, 2.92 A
assign (resid   36 and name   HN) (resid   23 and name   HA) 3.15 1.35 1.35 ! 0.7484  282:1  Ambig  4.17, 4.35 A
    or (resid   34 and name   HN) (resid   28 and name   HA)                ! 0.1541  282:1  -----  5.42, 5.68 A
assign (resid    2 and name   HN) (resid   19 and name   HA) 3.15 1.35 1.35 ! 0.9980  283:1  Long   2.38, 2.70 A
assign (resid   26 and name   HN) (resid   25 and name   HA) 2.30 0.50 0.50 ! 0.8255  284:1  Seq    2.11, 2.16 A
assign (resid    3 and name   HN) (resid  101 and name   H1) 2.65 0.85 0.85 ! 0.9017  285:1  Long   1.72, 2.13 A
assign (resid   12 and name   HN) (resid   12 and name  HA1) 2.65 0.85 0.85 ! 0.9659  286:1  Intra  2.91, 2.93 A
assign (resid    3 and name   HN) (resid    3 and name  HB2) 2.65 0.85 0.85 ! 0.8685  287:1  Intra  3.44, 3.55 A
assign (resid   28 and name   HN) (resid   28 and name   HA) 2.65 0.85 0.85 ! 0.9590  288:1  Intra  2.84, 2.89 A
assign (resid   27 and name   HN) (resid   26 and name   HA) 2.30 0.50 0.50 ! 0.9837  290:1  Seq    2.04, 2.09 A
assign (resid   25 and name   HN) (resid   25 and name   HA) 2.65 0.85 0.85 ! 0.9562  291:1  Intra  2.82, 2.86 A
assign (resid   19 and name   HN) (resid   19 and name   HA) 2.65 0.85 0.85 ! 0.9613  292:1  Intra  2.81, 2.83 A
assign (resid   25 and name   HN) (resid   24 and name   HA) 2.30 0.50 0.50 ! 0.9994  293:1  Seq    2.15, 2.22 A
assign (resid    4 and name   HN) (resid    3 and name   HA) 2.30 0.50 0.50 ! 0.9763  294:1  Seq    2.31, 2.45 A
assign (resid   31 and name   HN) (resid   31 and name   HA) 2.65 0.85 0.85 ! 0.0000  295:1  Intra  2.88, 2.90 A
assign (resid   22 and name   HN) (resid   22 and name  HA1) 2.65 0.85 0.85 ! 0.8763  296:1  Intra  2.89, 2.94 A
assign (resid    4 and name   HN) (resid    3 and name  HB2) 2.65 0.85 0.85 ! 0.9989  297:1  Seq    2.09, 2.43 A
assign (resid    6 and name   HN) (resid    6 and name  HA2) 2.65 0.85 0.85 ! 0.9439  298:1  Intra  2.87, 2.90 A
assign (resid    7 and name   HN) (resid    6 and name  HA2) 2.30 0.50 0.50 ! 0.7936  299:1  Ambig  2.25, 2.32 A
    or (resid    7 and name   HN) (resid    7 and name   HA)                ! 0.2064  299:1  -----  2.81, 2.86 A
assign (resid   10 and name   HN) (resid    9 and name  HA2) 2.30 0.50 0.50 ! 0.9845  300:1  Seq    2.22, 2.39 A
assign (resid   22 and name   HN) (resid   21 and name   HA) 2.30 0.50 0.50 ! 0.9993  301:1  Seq    2.07, 2.13 A
assign (resid   17 and name   HN) (resid   17 and name   HA) 2.65 0.85 0.85 ! 0.0000  303:1  Intra  2.92, 2.94 A
assign (resid    4 and name  HE1) (resid   23 and name   HA) 4.15 2.35 2.35 ! 0.8506  306:1  Long   5.50, 5.53 A
assign (resid   14 and name   HN) (resid   13 and name   HA) 2.30 0.50 0.50 ! 0.9580  307:1  Seq    2.08, 2.15 A
assign (resid    4 and name  HE1) (resid   36 and name   HA) 3.65 1.85 1.85 ! 0.6402  310:1  Ambig  4.46, 4.69 A
    or (resid   35 and name   HN) (resid   36 and name   HA)                ! 0.2610  310:1  -----  5.18, 5.22 A
assign (resid   17 and name   HN) (resid   16 and name   HA) 2.30 0.50 0.50 ! 0.8765  311:1  Seq    2.08, 2.14 A
assign (resid   35 and name   HN) (resid   34 and name   HA) 3.65 1.85 1.85 ! 0.9990  313:1  Seq    2.24, 2.27 A
assign (resid   11 and name   HN) (resid   31 and name   HA) 2.30 0.50 0.50 ! 0.0000  315:1  Long   1.80, 1.96 A
assign (resid   35 and name   HN) (resid    7 and name   HA) 3.15 1.35 1.35 ! 0.9629  317:1  Long   3.86, 3.99 A
assign (resid   21 and name   HN) (resid   21 and name   HA) 2.65 0.85 0.85 ! 0.0000  318:1  Intra  2.72, 2.77 A
assign (resid   23 and name   HN) (resid   23 and name   HA) 2.65 0.85 0.85 ! 0.0000  321:1  Intra  2.93, 2.94 A
assign (resid   13 and name   HN) (resid   13 and name   HA) 2.65 0.85 0.85 ! 0.9529  322:1  Intra  2.88, 2.92 A
assign (resid   20 and name   HN) (resid   19 and name   HA) 2.30 0.50 0.50 ! 0.9995  323:1  Seq    2.05, 2.12 A
assign (resid   32 and name   HN) (resid   32 and name   HA) 3.15 1.35 1.35 ! 0.0000  324:1  Intra  2.88, 2.89 A
assign (resid   32 and name   HN) (resid   31 and name   HA) 3.15 1.35 1.35 ! 0.0000  325:1  Seq    3.47, 3.54 A
assign (resid   23 and name   HN) (resid   22 and name  HA1) 2.65 0.85 0.85 ! 0.0000  327:1  Seq    2.97, 3.11 A
assign (resid    8 and name   HN) (resid    7 and name   HA) 2.30 0.50 0.50 ! 0.8633  329:1  Seq    2.08, 2.14 A
assign (resid   23 and name   HN) (resid   21 and name   HA) 2.65 0.85 0.85 ! 0.0000  330:1  Mid    3.22, 3.42 A
assign (resid   23 and name   HN) (resid   20 and name   HA) 3.65 1.85 1.85 ! 0.6763  331:1  Ambig  5.03, 5.12 A
    or (resid   23 and name   HN) (resid    4 and name   HA)                ! 0.1986  331:1  -----  6.17, 6.38 A
assign (resid   18 and name   HN) (resid   16 and name   HA) 3.15 1.35 1.35 ! 0.9185  333:1  Mid    3.47, 3.84 A
assign (resid   13 and name  HD*) (resid   13 and name   HA) 2.65 0.85 0.85 ! 0.9856  334:1  Intra  2.56, 3.55 A
assign (resid    7 and name HE22) (resid   32 and name   HA) 3.15 1.35 1.35 ! 0.9347  335:1  Long   3.30, 3.63 A
assign (resid    7 and name HE21) (resid   32 and name   HA) 3.15 1.35 1.35 ! 0.9980  336:1  Long   2.08, 2.37 A
assign (resid   31 and name  HD*) (resid   31 and name   HA) 2.65 0.85 0.85 ! 0.9955  337:1  Intra  2.76, 3.56 A
assign (resid    7 and name HE22) (resid   10 and name  HA1) 3.15 1.35 1.35 ! 0.9860  338:1  Mid    2.60, 3.59 A
assign (resid    7 and name HE21) (resid   10 and name  HA1) 3.15 1.35 1.35 ! 0.9942  339:1  Mid    2.02, 2.57 A
assign (resid   13 and name  HD*) (resid    9 and name  HA2) 2.65 0.85 0.85 ! 0.0000  340:1  Mid    1.93, 4.20 A
assign (resid    4 and name  HD2) (resid   25 and name   HA) 4.15 2.35 2.35 ! 0.5139  341:1  Ambig  7.04, 7.14 A
    or (resid    4 and name  HD2) (resid   19 and name   HA)                ! 0.4861  341:1  -----  7.10, 7.50 A
assign (resid   32 and name  HD*) (resid   32 and name   HA) 2.65 0.85 0.85 ! 0.0000  342:1  Intra  2.28, 3.42 A
assign (resid   33 and name   HN) (resid   32 and name   HA) 2.30 0.50 0.50 ! 0.9884  343:1  Seq    2.07, 2.10 A
assign (resid    4 and name  HD2) (resid   36 and name   HA) 2.65 0.85 0.85 ! 0.9887  344:1  Long   2.02, 2.23 A
assign (resid    9 and name   HN) (resid    9 and name  HA2) 2.30 0.50 0.50 ! 0.7578  345:1  Ambig  2.63, 2.71 A
    or (resid   33 and name   HN) (resid    7 and name   HA)                ! 0.1322  345:1  -----  3.52, 3.81 A
assign (resid   32 and name  HE*) (resid   32 and name   HA) 3.65 1.85 1.85 ! 0.4444  346:1  Ambig  4.50, 5.25 A
    or (resid   13 and name  HE*) (resid   13 and name   HA)                ! 0.3003  346:1  -----  4.80, 5.41 A
    or (resid   13 and name  HE*) (resid   17 and name   HB)                ! 0.2553  346:1  -----  4.93, 7.56 A
assign (resid   32 and name  HE*) (resid    7 and name   HA) 3.15 1.35 1.35 ! 0.8282  347:1  Long   3.15, 4.89 A
assign (resid    3 and name  HB2) (resid    3 and name   HA) 2.65 0.85 0.85 ! 0.8246  348:1  Intra  2.35, 2.44 A
assign (resid    3 and name  HB1) (resid    3 and name   HA) 2.30 0.50 0.50 ! 0.5853  349:1  Ambig  2.39, 2.45 A
    or (resid   24 and name   HB) (resid   24 and name   HA)                ! 0.4147  349:1  -----  2.53, 2.58 A
assign (resid   14 and name  HB2) (resid   14 and name   HA) 2.65 0.85 0.85 ! 0.9654  350:1  Intra  2.51, 2.63 A
assign (resid    8 and name  HB2) (resid   17 and name   HA) 3.15 1.35 1.35 ! 0.0000  355:1  Long   2.73, 3.20 A
assign (resid   23 and name   HB) (resid   23 and name   HA) 2.65 0.85 0.85 ! 0.0000  356:1  Intra  2.41, 2.44 A
assign (resid    8 and name  HB2) (resid   25 and name   HA) 3.15 1.35 1.35 ! 0.6145  357:1  Ambig  3.40, 3.89 A
    or (resid    8 and name  HB2) (resid   17 and name   HB)                ! 0.2907  357:1  -----  3.85, 4.44 A
assign (resid   19 and name  HB1) (resid   19 and name   HA) 2.65 0.85 0.85 ! 0.9752  358:1  Intra  2.42, 2.46 A
assign (resid  101 and name   H3) (resid  101 and name   H1) 2.65 0.85 0.85 ! 0.9956  359:1  Intra  2.28, 2.39 A
assign (resid  101 and name   H5) (resid  101 and name   H1) 2.30 0.50 0.50 ! 0.9693  360:1  Intra  2.09, 2.27 A
assign (resid  101 and name   H4) (resid  101 and name   H1) 3.15 1.35 1.35 ! 0.0000  361:1  Intra  3.78, 3.88 A
assign (resid   14 and name  HB1) (resid   14 and name   HA) 2.30 0.50 0.50 ! 0.8852  362:1  Intra  2.29, 2.36 A
assign (resid   30 and name  HD2) (resid   30 and name   HA) 3.15 1.35 1.35 ! 0.0000  368:1  Intra  3.88, 3.91 A
assign (resid   25 and name  HB2) (resid   17 and name   HA) 3.65 1.85 1.85 ! 0.9294  370:1  Long   5.07, 5.46 A
assign (resid   25 and name  HB2) (resid   25 and name   HA) 2.65 0.85 0.85 ! 0.9758  371:1  Intra  2.38, 2.44 A
assign (resid  101 and name   H2) (resid  101 and name   H1) 3.15 1.35 1.35 ! 0.9831  372:1  Intra  3.02, 3.05 A
assign (resid    4 and name  HB1) (resid    3 and name   HA) 3.65 1.85 1.85 ! 0.5840  373:1  Ambig  4.99, 5.16 A
    or (resid    4 and name  HB1) (resid   36 and name   HA)                ! 0.2688  373:1  -----  5.68, 5.88 A
assign (resid   31 and name  HB1) (resid   31 and name   HA) 2.30 0.50 0.50 ! 0.0000  374:1  Intra  2.35, 2.44 A
assign (resid  101 and name   H2) (resid    3 and name  HB2) 3.65 1.85 1.85 ! 0.0000  375:1  Long   4.15, 4.45 A
assign (resid    8 and name  HB1) (resid   17 and name   HA) 3.15 1.35 1.35 ! 0.9821  376:1  Long   3.81, 4.17 A
assign (resid   35 and name  HB2) (resid   23 and name   HA) 4.15 2.35 2.35 ! 0.8628  377:1  Long   5.51, 5.54 A
assign (resid   35 and name  HB1) (resid   23 and name   HA) 3.15 1.35 1.35 ! 0.7283  378:1  Ambig  4.33, 4.41 A
    or (resid    4 and name  HB2) (resid   23 and name   HA)                ! 0.1586  378:1  -----  5.58, 5.93 A
assign (resid   13 and name  HB1) (resid   13 and name   HA) 2.65 0.85 0.85 ! 0.8730  379:1  Intra  3.01, 3.02 A
assign (resid   13 and name  HB2) (resid   13 and name   HA) 2.30 0.50 0.50 ! 0.4680  380:1  Ambig  2.38, 2.46 A
    or (resid   32 and name  HB2) (resid   32 and name   HA)                ! 0.4370  380:1  -----  2.41, 2.46 A
assign (resid   35 and name  HB2) (resid   19 and name   HA) 3.15 1.35 1.35 ! 0.7033  381:1  Ambig  4.12, 4.38 A
    or (resid   35 and name  HB2) (resid   25 and name   HA)                ! 0.2967  381:1  -----  4.76, 4.90 A
assign (resid   25 and name  HB1) (resid   25 and name   HA) 2.65 0.85 0.85 ! 0.9122  382:1  Intra  3.02, 3.03 A
assign (resid   35 and name  HB2) (resid   36 and name   HA) 3.15 1.35 1.35 ! 0.5811  384:1  Ambig  4.39, 4.49 A
    or (resid   35 and name  HB2) (resid    3 and name   HA)                ! 0.3111  384:1  -----  4.87, 5.18 A
assign (resid   31 and name  HB2) (resid   31 and name   HA) 2.65 0.85 0.85 ! 0.9619  385:1  Intra  2.99, 3.01 A
assign (resid   13 and name  HB1) (resid    9 and name  HA2) 3.15 1.35 1.35 ! 0.9964  386:1  Mid    2.63, 3.28 A
assign (resid   33 and name  HB2) (resid    9 and name  HA2) 3.15 1.35 1.35 ! 0.5394  387:1  Ambig  3.98, 4.23 A
    or (resid   13 and name  HB2) (resid    9 and name  HA2)                ! 0.3252  387:1  -----  4.33, 4.93 A
assign (resid   26 and name  HG1) (resid   26 and name   HA) 3.15 1.35 1.35 ! 0.7180  388:1  Ambig  3.04, 3.47 A
    or (resid   26 and name  HG1) (resid   25 and name   HA)                ! 0.2820  388:1  -----  3.55, 4.40 A
assign (resid   32 and name  HB1) (resid   32 and name   HA) 2.65 0.85 0.85 ! 0.8553  389:1  Intra  2.98, 3.00 A
assign (resid    2 and name  HG1) (resid    6 and name  HA2) 3.15 1.35 1.35 ! 0.7960  390:1  Ambig  3.95, 4.32 A
    or (resid    2 and name  HG1) (resid    3 and name  HB2)                ! 0.1628  390:1  -----  5.14, 5.62 A
assign (resid   26 and name  HB1) (resid   26 and name   HA) 2.30 0.50 0.50 ! 0.9768  391:1  Intra  2.31, 2.39 A
assign (resid   26 and name  HG2) (resid   26 and name   HA) 2.30 0.50 0.50 ! 0.6809  392:1  Ambig  2.39, 2.84 A
    or (resid   19 and name  HB2) (resid   19 and name   HA)                ! 0.1753  392:1  -----  3.00, 3.02 A
assign (resid   16 and name  HB1) (resid   16 and name   HA) 2.30 0.50 0.50 ! 0.9989  393:1  Intra  2.26, 2.28 A
assign (resid   19 and name  HB2) (resid   24 and name   HA) 2.65 0.85 0.85 ! 0.8997  394:1  Long   2.65, 2.98 A
assign (resid   34 and name  HG1) (resid    7 and name   HA) 3.15 1.35 1.35 ! 0.0000  395:1  Long   3.57, 4.03 A
assign (resid    7 and name  HG1) (resid    7 and name   HA) 2.65 0.85 0.85 ! 0.8713  396:1  Intra  2.56, 2.64 A
assign (resid    7 and name  HB2) (resid    7 and name   HA) 2.65 0.85 0.85 ! 0.0000  397:1  Intra  2.44, 2.48 A
assign (resid   30 and name  HG2) (resid   30 and name   HA) 3.15 1.35 1.35 ! 0.6857  398:1  Ambig  3.83, 3.95 A
    or (resid    7 and name  HB2) (resid    6 and name  HA2)                ! 0.2935  398:1  -----  4.42, 4.59 A
assign (resid   30 and name  HB1) (resid   30 and name   HA) 2.30 0.50 0.50 ! 0.9935  399:1  Intra  2.26, 2.27 A
assign (resid   28 and name  HB2) (resid   28 and name   HA) 2.65 0.85 0.85 ! 0.9502  400:1  Intra  3.01, 3.02 A
assign (resid   28 and name  HB1) (resid   28 and name   HA) 2.65 0.85 0.85 ! 0.7850  401:1  Ambig  2.41, 2.46 A
    or (resid   28 and name   HG) (resid   28 and name   HA)                ! 0.1938  401:1  -----  3.04, 3.13 A
assign (resid   26 and name  HB2) (resid   26 and name   HA) 2.65 0.85 0.85 ! 0.8163  402:1  Intra  2.98, 3.01 A
assign (resid    2 and name  HB2) (resid   19 and name   HA) 3.15 1.35 1.35 ! 0.8007  403:1  Long   3.76, 3.98 A
assign (resid   16 and name  HG2) (resid   16 and name   HA) 3.15 1.35 1.35 ! 0.0000  404:1  Intra  3.89, 3.92 A
assign (resid   16 and name  HB2) (resid   16 and name   HA) 2.65 0.85 0.85 ! 0.8465  405:1  Intra  2.81, 2.85 A
assign (resid   30 and name  HG1) (resid   30 and name   HA) 2.65 0.85 0.85 ! 0.9780  406:1  Intra  2.81, 3.04 A
assign (resid   36 and name  HB*) (resid   36 and name   HA) 2.30 0.50 0.50 ! 0.9936  407:1  Intra  2.46, 2.76 A
assign (resid    7 and name  HB1) (resid    7 and name   HA) 3.15 1.35 1.35 ! 0.0000  409:1  Intra  3.02, 3.03 A
assign (resid   17 and name HG2*) (resid   17 and name   HA) 2.65 0.85 0.85 ! 0.9952  410:1  Intra  2.36, 2.96 A
assign (resid   17 and name HG2*) (resid   17 and name   HB) 2.30 0.50 0.50 ! 0.9659  411:1  Intra  2.45, 2.65 A
assign (resid   17 and name HG2*) (resid   14 and name   HA) 2.65 0.85 0.85 ! 0.3834  412:1  Ambig  2.59, 4.24 A
    or (resid   20 and name  HB*) (resid    3 and name   HA)                ! 0.3545  412:1  -----  2.63, 3.96 A
    or (resid   36 and name   HG) (resid   36 and name   HA)                ! 0.2277  412:1  -----  2.83, 2.97 A
assign (resid   24 and name HG2*) (resid   24 and name   HA) 2.65 0.85 0.85 ! 0.0000  413:1  Intra  2.37, 2.96 A
assign (resid   30 and name  HB2) (resid   30 and name   HA) 2.65 0.85 0.85 ! 0.9685  414:1  Intra  2.89, 2.91 A
assign (resid   28 and name HD2*) (resid   28 and name   HA) 2.65 0.85 0.85 ! 0.9965  415:1  Intra  2.10, 2.99 A
assign (resid   36 and name HD2*) (resid   36 and name   HA) 2.30 0.50 0.50 ! 0.0000  416:1  Intra  2.04, 2.97 A
assign (resid   27 and name HG1*) (resid   30 and name   HA) 3.65 1.85 1.85 ! 0.0000  417:1  Mid    2.92, 3.24 A
assign (resid   23 and name HG2*) (resid   23 and name   HA) 2.65 0.85 0.85 ! 0.0000  418:1  Intra  2.49, 3.11 A
assign (resid   23 and name HG2*) (resid   36 and name   HA) 3.65 1.85 1.85 ! 0.6949  419:1  Ambig  3.93, 4.88 A
    or (resid   23 and name HG2*) (resid    3 and name   HA)                ! 0.2636  419:1  -----  4.61, 5.84 A
assign (resid    5 and name   HN) (resid    4 and name   HA) 2.30 0.50 0.50 ! 0.5269  420:1  Ambig  2.14, 2.15 A
    or (resid    5 and name   HN) (resid    5 and name   HA)                ! 0.4731  420:1  -----  2.18, 2.20 A
assign (resid   24 and name   HN) (resid   23 and name   HB) 2.30 0.50 0.50 ! 0.0000  421:1  Seq    2.69, 2.79 A
assign (resid    2 and name   HN) (resid    1 and name   HB) 3.15 1.35 1.35 ! 0.9631  422:1  Seq    2.69, 3.35 A
assign (resid    3 and name   HN) (resid    3 and name  HB1) 2.65 0.85 0.85 ! 0.9307  423:1  Intra  2.42, 2.55 A
assign (resid    2 and name   HN) (resid    1 and name   HA) 2.65 0.85 0.85 ! 0.0000  424:1  Seq    2.04, 2.15 A
assign (resid   12 and name   HN) (resid   11 and name   HA) 2.30 0.50 0.50 ! 0.9795  425:1  Seq    2.11, 2.15 A
assign (resid   34 and name   HN) (resid   33 and name  HB1) 2.65 0.85 0.85 ! 0.0000  427:1  Seq    2.99, 3.17 A
assign (resid   19 and name   HN) (resid   18 and name   HA) 2.30 0.50 0.50 ! 0.9974  428:1  Seq    2.09, 2.13 A
assign (resid    6 and name   HN) (resid    5 and name   HA) 2.65 0.85 0.85 ! 0.5968  429:1  Ambig  3.01, 3.13 A
    or (resid    6 and name   HN) (resid    4 and name   HA)                ! 0.4032  429:1  -----  3.21, 3.35 A
assign (resid   28 and name   HN) (resid   27 and name   HA) 2.30 0.50 0.50 ! 0.8774  430:1  Seq    2.06, 2.11 A
assign (resid   25 and name   HN) (resid   24 and name   HB) 2.65 0.85 0.85 ! 0.0000  431:1  Seq    2.62, 2.95 A
assign (resid    4 and name   HN) (resid    4 and name   HA) 2.65 0.85 0.85 ! 0.8176  432:1  Intra  2.79, 2.82 A
assign (resid   22 and name   HN) (resid   21 and name  HB*) 3.15 1.35 1.35 ! 0.9835  433:1  Seq    3.33, 3.94 A
assign (resid   10 and name   HN) (resid   10 and name  HA2) 2.30 0.50 0.50 ! 0.7021  434:1  Ambig  2.91, 2.92 A
    or (resid   10 and name   HN) (resid    9 and name  HA1)                ! 0.2600  434:1  -----  3.43, 3.49 A
assign (resid   31 and name   HN) (resid   30 and name  HD2) 3.15 1.35 1.35 ! 0.0000  435:1  Seq    2.46, 2.75 A
assign (resid   19 and name   HN) (resid   19 and name  HB1) 3.15 1.35 1.35 ! 0.0000  436:1  Intra  3.52, 3.53 A
assign (resid   22 and name   HN) (resid   22 and name  HA2) 2.30 0.50 0.50 ! 0.8795  437:1  Intra  2.33, 2.44 A
assign (resid   28 and name   HN) (resid   33 and name  HB1) 3.15 1.35 1.35 ! 0.5647  438:1  Ambig  3.88, 4.24 A
    or (resid   27 and name   HN) (resid   33 and name  HB1)                ! 0.3430  438:1  -----  4.22, 4.50 A
assign (resid    6 and name   HN) (resid    6 and name  HA1) 2.30 0.50 0.50 ! 0.9976  439:1  Intra  2.25, 2.31 A
assign (resid    7 and name   HN) (resid    6 and name  HA1) 2.65 0.85 0.85 ! 0.9886  440:1  Seq    2.68, 2.88 A
assign (resid   35 and name   HN) (resid    5 and name   HA) 3.15 1.35 1.35 ! 0.6644  441:1  Ambig  3.90, 4.13 A
    or (resid   35 and name   HN) (resid    4 and name   HA)                ! 0.2340  441:1  -----  4.64, 4.81 A
assign (resid   21 and name   HN) (resid   20 and name   HA) 2.30 0.50 0.50 ! 0.0000  442:1  Seq    2.18, 2.30 A
assign (resid   21 and name   HN) (resid   21 and name  HB*) 2.30 0.50 0.50 ! 0.0000  446:1  Intra  2.44, 3.01 A
assign (resid   11 and name   HN) (resid   10 and name  HA2) 2.30 0.50 0.50 ! 0.7761  447:1  Ambig  2.24, 2.39 A
    or (resid   11 and name   HN) (resid   11 and name   HA)                ! 0.2223  447:1  -----  2.76, 2.80 A
assign (resid   14 and name   HN) (resid   14 and name  HB2) 3.15 1.35 1.35 ! 0.9936  448:1  Intra  2.44, 3.35 A
assign (resid   20 and name   HN) (resid   20 and name   HA) 2.65 0.85 0.85 ! 0.9720  449:1  Intra  2.71, 2.75 A
assign (resid   20 and name   HN) (resid    1 and name   HA) 3.65 1.85 1.85 ! 0.0000  451:1  Long   4.52, 4.58 A
assign (resid   32 and name   HN) (resid   10 and name  HA2) 3.65 1.85 1.85 ! 0.9436  452:1  Long   4.80, 4.94 A
assign (resid   13 and name   HN) (resid   12 and name  HA2) 2.65 0.85 0.85 ! 0.5486  453:1  Ambig  3.17, 3.32 A
    or (resid   13 and name   HN) (resid   11 and name   HA)                ! 0.4373  453:1  -----  3.29, 3.50 A
assign (resid   23 and name   HN) (resid   23 and name   HB) 3.65 1.85 1.85 ! 0.0000  454:1  Intra  3.73, 3.78 A
assign (resid   20 and name   HN) (resid   19 and name  HB1) 3.15 1.35 1.35 ! 0.0000  455:1  Seq    2.93, 3.12 A
assign (resid   23 and name   HN) (resid   22 and name  HA2) 3.15 1.35 1.35 ! 0.8099  456:1  Seq    3.25, 3.38 A
assign (resid    8 and name   HN) (resid    8 and name  HB2) 3.15 1.35 1.35 ! 0.5703  457:1  Ambig  3.55, 3.63 A
    or (resid    8 and name   HN) (resid   33 and name  HB1)                ! 0.4297  457:1  -----  3.72, 3.90 A
assign (resid   34 and name HE21) (resid    5 and name   HA) 3.15 1.35 1.35 ! 0.9983  458:1  Long   2.20, 2.37 A
assign (resid   18 and name   HN) (resid   18 and name   HA) 2.65 0.85 0.85 ! 0.9879  459:1  Intra  2.82, 2.88 A
assign (resid    2 and name HE22) (resid    6 and name  HA1) 3.65 1.85 1.85 ! 0.8388  460:1  Mid    3.12, 3.66 A
assign (resid   13 and name  HD*) (resid    9 and name  HA1) 3.15 1.35 1.35 ! 0.8155  461:1  Mid    3.45, 5.82 A
assign (resid   31 and name  HD*) (resid   30 and name  HD2) 3.15 1.35 1.35 ! 0.9895  462:1  Seq    2.70, 4.99 A
assign (resid    4 and name  HD2) (resid    4 and name   HA) 2.30 0.50 0.50 ! 0.5926  463:1  Ambig  2.26, 2.34 A
    or (resid    5 and name  HD*) (resid    5 and name   HA)                ! 0.3520  463:1  -----  2.46, 3.49 A
assign (resid   34 and name HE22) (resid    5 and name   HA) 3.15 1.35 1.35 ! 0.9943  464:1  Long   3.17, 3.37 A
assign (resid    9 and name   HN) (resid    9 and name  HA1) 2.65 0.85 0.85 ! 0.7589  465:1  Ambig  2.65, 2.86 A
    or (resid   33 and name   HN) (resid   10 and name  HA2)                ! 0.1833  465:1  -----  3.36, 3.99 A
assign (resid    4 and name  HD2) (resid   23 and name   HB) 3.65 1.85 1.85 ! 0.9905  466:1  Long   3.04, 3.36 A
assign (resid    9 and name   HN) (resid   33 and name  HB1) 2.65 0.85 0.85 ! 0.6230  467:1  Ambig  3.40, 4.05 A
    or (resid   33 and name   HN) (resid   33 and name  HB1)                ! 0.3705  467:1  -----  3.71, 3.76 A
assign (resid   13 and name  HE*) (resid   15 and name  HA2) 3.15 1.35 1.35 ! 0.4269  468:1  Ambig  4.51, 5.23 A
    or (resid    5 and name  HE*) (resid    5 and name   HA)                ! 0.3538  468:1  -----  4.66, 5.26 A
    or (resid   32 and name  HE*) (resid    5 and name   HA)                ! 0.1201  468:1  -----  5.57, 6.68 A
assign (resid   13 and name  HE*) (resid   15 and name  HA1) 3.15 1.35 1.35 ! 0.9594  469:1  Mid    2.87, 3.72 A
assign (resid   33 and name   HA) (resid   27 and name   HA) 3.15 1.35 1.35 ! 0.8511  470:1  Long   2.15, 2.32 A
assign (resid   15 and name   HN) (resid   15 and name  HA1) 3.65 1.85 1.85 ! 0.9719  471:1  Intra  2.24, 2.29 A
assign (resid    8 and name   HA) (resid    8 and name  HB2) 3.15 1.35 1.35 ! 0.9476  472:1  Intra  2.40, 2.45 A
assign (resid   24 and name   HA) (resid   19 and name  HB1) 3.65 1.85 1.85 ! 0.8489  473:1  Long   3.24, 3.73 A
assign (resid   21 and name   HA) (resid   21 and name  HB*) 2.65 0.85 0.85 ! 0.9820  475:1  Intra  2.37, 2.70 A
assign (resid    1 and name   HA) (resid    1 and name   HB) 2.65 0.85 0.85 ! 0.9723  481:1  Intra  2.52, 2.83 A
assign (resid   27 and name   HA) (resid   33 and name  HB1) 2.65 0.85 0.85 ! 0.6015  487:1  Ambig  2.63, 2.86 A
    or (resid   15 and name  HA2) (resid   16 and name  HD2)                ! 0.3985  487:1  -----  2.81, 2.84 A
assign (resid  101 and name  H62) (resid  101 and name   H5) 2.65 0.85 0.85 ! 0.8360  488:1  Intra  2.35, 2.45 A
assign (resid  101 and name   H5) (resid  101 and name  H62) 2.30 0.50 0.50 ! 0.4902  490:1  Ambig  2.35, 2.45 A
    or (resid   33 and name  HB1) (resid   27 and name   HA)                ! 0.2488  490:1  -----  2.63, 2.86 A
    or (resid   16 and name  HD2) (resid   15 and name  HA2)                ! 0.1648  490:1  -----  2.81, 2.84 A
assign (resid  101 and name   H4) (resid  101 and name  H62) 2.65 0.85 0.85 ! 0.8150  491:1  Intra  3.16, 3.28 A
assign (resid  101 and name   H5) (resid  101 and name  H61) 2.65 0.85 0.85 ! 0.9935  495:1  Intra  3.03, 3.04 A
assign (resid  101 and name   H4) (resid  101 and name  H61) 2.30 0.50 0.50 ! 0.9964  496:1  Intra  2.40, 2.46 A
assign (resid    5 and name  HB2) (resid    5 and name   HA) 2.65 0.85 0.85 ! 0.9383  499:1  Intra  3.01, 3.03 A
assign (resid    4 and name  HB1) (resid    4 and name   HA) 2.65 0.85 0.85 ! 0.9687  501:1  Intra  3.00, 3.02 A
assign (resid   25 and name  HB2) (resid   24 and name   HB) 4.15 2.35 2.35 ! 0.8877  502:1  Seq    5.11, 5.50 A
assign (resid   29 and name  HB*) (resid   30 and name  HD1) 2.30 0.50 0.50 ! 0.0000  504:1  Seq    2.46, 3.25 A
assign (resid  101 and name   H2) (resid  101 and name  H61) 3.15 1.35 1.35 ! 0.0000  508:1  Intra  4.05, 4.21 A
assign (resid   29 and name  HB*) (resid   30 and name  HD2) 2.30 0.50 0.50 ! 0.0000  511:1  Seq    2.14, 2.96 A
assign (resid   25 and name  HB2) (resid   19 and name  HB1) 3.65 1.85 1.85 ! 0.0000  513:1  Long   4.42, 4.53 A
assign (resid  101 and name   H2) (resid  101 and name   H3) 2.65 0.85 0.85 ! 0.0000  514:1  Intra  3.01, 3.04 A
assign (resid   35 and name  HB2) (resid    4 and name   HA) 2.30 0.50 0.50 ! 0.5372  515:1  Ambig  2.39, 2.62 A
    or (resid    5 and name  HB1) (resid    5 and name   HA)                ! 0.4427  515:1  -----  2.47, 2.53 A
assign (resid   33 and name  HB2) (resid   27 and name   HA) 3.15 1.35 1.35 ! 0.9424  516:1  Long   3.98, 4.18 A
assign (resid    4 and name  HB2) (resid    4 and name   HA) 2.30 0.50 0.50 ! 0.9594  517:1  Intra  2.57, 2.60 A
assign (resid   13 and name  HB1) (resid   10 and name  HA2) 3.15 1.35 1.35 ! 0.5049  518:1  Ambig  3.83, 4.26 A
    or (resid   13 and name  HB1) (resid    9 and name  HA1)                ! 0.2545  518:1  -----  4.30, 4.84 A
    or (resid   13 and name  HB1) (resid   11 and name   HA)                ! 0.1243  518:1  -----  4.84, 5.15 A
assign (resid   33 and name  HB2) (resid    9 and name  HA1) 2.65 0.85 0.85 ! 0.6775  519:1  Ambig  2.90, 3.48 A
    or (resid   33 and name  HB2) (resid   10 and name  HA2)                ! 0.2344  519:1  -----  3.46, 3.79 A
assign (resid   35 and name  HB2) (resid   23 and name   HB) 2.65 0.85 0.85 ! 0.0000  520:1  Long   3.06, 3.12 A
assign (resid   35 and name  HB1) (resid   23 and name   HB) 2.65 0.85 0.85 ! 0.9881  521:1  Long   2.11, 2.22 A
assign (resid   35 and name  HB2) (resid   19 and name  HB1) 2.65 0.85 0.85 ! 0.0000  522:1  Long   3.46, 3.50 A
assign (resid   35 and name  HB1) (resid   19 and name  HB1) 2.65 0.85 0.85 ! 0.9968  523:1  Long   2.09, 2.15 A
assign (resid    2 and name  HG1) (resid    6 and name  HA1) 2.65 0.85 0.85 ! 0.9864  526:1  Mid    2.27, 2.66 A
assign (resid   19 and name  HB2) (resid   18 and name   HA) 3.15 1.35 1.35 ! 0.4711  527:1  Ambig  4.44, 4.52 A
    or (resid   19 and name  HB2) (resid   20 and name   HA)                ! 0.1598  527:1  -----  5.32, 5.44 A
    or (resid   19 and name  HB2) (resid    1 and name   HB)                ! 0.0722  527:1  -----  6.07, 7.73 A
    or (resid   26 and name  HG2) (resid   27 and name   HA)                ! 0.0592  527:1  -----  6.28, 6.48 A
    or (resid    2 and name  HG2) (resid   18 and name   HA)                ! 0.0591  527:1  -----  6.28, 6.85 A
assign (resid   34 and name  HG1) (resid    5 and name   HA) 3.15 1.35 1.35 ! 0.9969  528:1  Long   2.02, 2.45 A
assign (resid   34 and name  HG1) (resid    5 and name   HA) 3.15 1.35 1.35 ! 0.9969  529:1  Long   2.02, 2.45 A
assign (resid   26 and name  HG2) (resid   24 and name   HB) 3.65 1.85 1.85 ! 0.8663  530:1  Mid    3.37, 4.07 A
assign (resid   30 and name  HB1) (resid   30 and name  HD1) 3.65 1.85 1.85 ! 0.9464  531:1  Intra  4.04, 4.08 A
assign (resid   30 and name  HG2) (resid   30 and name  HD1) 2.65 0.85 0.85 ! 0.0000  532:1  Intra  2.68, 2.70 A
assign (resid   30 and name  HG2) (resid   30 and name  HD2) 2.30 0.50 0.50 ! 0.0000  533:1  Intra  2.30, 2.32 A
assign (resid   16 and name  HB1) (resid   16 and name  HD2) 3.15 1.35 1.35 ! 0.0000  535:1  Intra  3.92, 3.97 A
assign (resid    2 and name  HG2) (resid    6 and name  HA1) 3.15 1.35 1.35 ! 0.6745  536:1  Ambig  3.14, 3.52 A
    or (resid    2 and name  HG2) (resid    8 and name  HB2)                ! 0.2816  536:1  -----  3.63, 4.10 A
assign (resid   18 and name   HB) (resid   18 and name   HA) 2.65 0.85 0.85 ! 0.9503  537:1  Intra  3.03, 3.04 A
assign (resid   34 and name  HG2) (resid    5 and name   HA) 2.65 0.85 0.85 ! 0.9881  538:1  Long   2.18, 2.52 A
assign (resid   27 and name   HB) (resid   27 and name   HA) 2.65 0.85 0.85 ! 0.8377  539:1  Intra  3.03, 3.04 A
assign (resid   28 and name   HG) (resid   27 and name   HA) 3.65 1.85 1.85 ! 0.8132  540:1  Seq    3.79, 3.97 A
assign (resid   18 and name   HB) (resid    1 and name   HA) 3.15 1.35 1.35 ! 0.9975  541:1  Long   2.37, 2.78 A
assign (resid   30 and name  HG1) (resid   30 and name  HD1) 2.65 0.85 0.85 ! 0.9769  542:1  Intra  2.31, 2.34 A
assign (resid   30 and name  HG1) (resid   30 and name  HD2) 2.65 0.85 0.85 ! 0.9896  543:1  Intra  2.98, 2.99 A
assign (resid   16 and name  HG2) (resid   16 and name  HD1) 2.65 0.85 0.85 ! 0.8092  544:1  Intra  2.93, 2.98 A
assign (resid   16 and name  HB2) (resid   16 and name  HD1) 3.15 1.35 1.35 ! 0.6994  545:1  Ambig  3.85, 3.89 A
    or (resid   16 and name  HB2) (resid   15 and name  HA1)                ! 0.1453  545:1  -----  5.00, 5.28 A
assign (resid   16 and name  HG2) (resid   16 and name  HD2) 2.30 0.50 0.50 ! 0.9262  546:1  Intra  2.28, 2.32 A
assign (resid   11 and name HG11) (resid   11 and name   HA) 2.65 0.85 0.85 ! 0.7751  547:1  Ambig  2.96, 3.02 A
    or (resid   11 and name HG11) (resid   10 and name  HA2)                ! 0.2197  547:1  -----  3.65, 3.88 A
assign (resid    1 and name HG2*) (resid    1 and name   HB) 2.65 0.85 0.85 ! 0.9899  548:1  Intra  2.40, 2.64 A
assign (resid   20 and name  HB*) (resid   20 and name   HA) 2.30 0.50 0.50 ! 0.9041  549:1  Intra  2.41, 2.63 A
assign (resid   24 and name HG2*) (resid   24 and name   HB) 2.30 0.50 0.50 ! 0.0000  550:1  Intra  2.42, 2.64 A
assign (resid    1 and name HG2*) (resid    1 and name   HA) 2.65 0.85 0.85 ! 0.9536  551:1  Intra  2.31, 2.90 A
assign (resid   18 and name HG2*) (resid   18 and name   HA) 2.30 0.50 0.50 ! 0.5027  552:1  Ambig  2.48, 3.14 A
    or (resid   18 and name HG1*) (resid   18 and name   HA)                ! 0.4853  552:1  -----  2.50, 3.15 A
assign (resid   27 and name HG2*) (resid   27 and name   HA) 2.30 0.50 0.50 ! 0.9703  553:1  Intra  2.48, 3.11 A
assign (resid   27 and name HG1*) (resid   27 and name   HA) 2.65 0.85 0.85 ! 0.0000  554:1  Intra  2.51, 3.14 A
assign (resid   11 and name HG2*) (resid   11 and name   HA) 2.30 0.50 0.50 ! 0.9535  555:1  Intra  2.54, 3.16 A
assign (resid   23 and name HG2*) (resid    4 and name   HA) 3.15 1.35 1.35 ! 0.9941  556:1  Long   2.24, 3.49 A
assign (resid   11 and name HD1*) (resid   11 and name   HA) 3.15 1.35 1.35 ! 0.8258  557:1  Intra  4.39, 4.65 A
assign (resid   23 and name HG2*) (resid   23 and name   HB) 2.30 0.50 0.50 ! 0.0000  558:1  Intra  2.39, 2.62 A
assign (resid    5 and name   HN) (resid   35 and name  HB2) 2.65 0.85 0.85 ! 0.9159  559:1  Long   2.65, 2.87 A
assign (resid   24 and name   HN) (resid   35 and name  HB1) 2.65 0.85 0.85 ! 0.4849  560:1  Ambig  3.69, 3.72 A
    or (resid    5 and name   HN) (resid   35 and name  HB1)                ! 0.2952  560:1  -----  4.00, 4.24 A
    or (resid    5 and name   HN) (resid    4 and name  HB2)                ! 0.1938  560:1  -----  4.29, 4.34 A
assign (resid   26 and name   HN) (resid   25 and name  HB2) 3.15 1.35 1.35 ! 0.8181  561:1  Seq    4.29, 4.40 A
assign (resid   36 and name   HN) (resid   35 and name  HB2) 3.15 1.35 1.35 ! 0.7265  562:1  Ambig  4.00, 4.07 A
    or (resid    3 and name   HN) (resid   35 and name  HB2)                ! 0.1667  562:1  -----  5.11, 5.48 A
assign (resid   36 and name   HN) (resid   35 and name  HB1) 3.15 1.35 1.35 ! 0.7576  563:1  Ambig  3.20, 3.28 A
    or (resid   26 and name   HN) (resid   25 and name  HB1)                ! 0.1275  563:1  -----  4.31, 4.39 A
assign (resid   34 and name   HN) (resid   33 and name  HB2) 3.15 1.35 1.35 ! 0.5689  564:1  Ambig  3.90, 4.03 A
    or (resid   34 and name   HN) (resid    8 and name  HB1)                ! 0.1522  564:1  -----  4.86, 5.40 A
    or (resid   12 and name   HN) (resid   13 and name  HB2)                ! 0.1430  564:1  -----  4.92, 5.19 A
assign (resid   31 and name   HN) (resid   31 and name  HB1) 3.15 1.35 1.35 ! 0.0000  565:1  Intra  3.55, 3.56 A
assign (resid    6 and name   HN) (resid    5 and name  HB2) 3.15 1.35 1.35 ! 0.0000  566:1  Seq    3.75, 3.90 A
assign (resid   31 and name   HN) (resid   29 and name  HB*) 3.15 1.35 1.35 ! 0.0000  567:1  Mid    2.94, 3.67 A
assign (resid   29 and name   HN) (resid   29 and name  HB*) 3.15 1.35 1.35 ! 0.0000  568:1  Intra  2.63, 3.49 A
assign (resid   25 and name   HN) (resid   25 and name  HB2) 2.30 0.50 0.50 ! 0.0000  569:1  Intra  2.46, 2.62 A
assign (resid    4 and name   HN) (resid    4 and name  HB1) 2.65 0.85 0.85 ! 0.0000  570:1  Intra  2.67, 2.72 A
assign (resid    6 and name   HN) (resid   35 and name  HB2) 3.15 1.35 1.35 ! 0.8986  571:1  Long   2.99, 3.21 A
assign (resid   25 and name   HN) (resid   25 and name  HB1) 2.30 0.50 0.50 ! 0.9759  572:1  Intra  2.42, 2.47 A
assign (resid    4 and name   HN) (resid    4 and name  HB2) 2.30 0.50 0.50 ! 0.9959  573:1  Intra  2.22, 2.33 A
assign (resid   31 and name   HN) (resid   31 and name  HB2) 2.65 0.85 0.85 ! 0.9955  574:1  Intra  2.31, 2.40 A
assign (resid   10 and name   HN) (resid   13 and name  HB2) 3.15 1.35 1.35 ! 0.7391  575:1  Ambig  2.86, 3.23 A
    or (resid   10 and name   HN) (resid   33 and name  HB2)                ! 0.1977  575:1  -----  3.56, 3.91 A
assign (resid   11 and name   HN) (resid   31 and name  HB1) 3.65 1.85 1.85 ! 0.0000  576:1  Long   3.01, 3.99 A
assign (resid   35 and name   HN) (resid   35 and name  HB1) 3.15 1.35 1.35 ! 0.8215  578:1  Intra  3.53, 3.54 A
assign (resid   11 and name   HN) (resid   31 and name  HB2) 3.65 1.85 1.85 ! 0.5590  579:1  Ambig  4.37, 4.86 A
    or (resid   11 and name   HN) (resid   13 and name  HB1)                ! 0.4410  579:1  -----  4.55, 5.00 A
assign (resid   14 and name   HN) (resid   13 and name  HB2) 3.15 1.35 1.35 ! 0.9049  580:1  Seq    4.17, 4.38 A
assign (resid   32 and name   HN) (resid   31 and name  HB1) 3.65 1.85 1.85 ! 0.0000  581:1  Seq    3.72, 3.87 A
assign (resid   20 and name   HN) (resid   35 and name  HB1) 3.15 1.35 1.35 ! 0.8782  582:1  Long   4.19, 4.46 A
assign (resid   13 and name   HN) (resid   13 and name  HB2) 2.30 0.50 0.50 ! 0.3654  584:1  Ambig  2.73, 2.90 A
    or (resid    8 and name   HN) (resid   33 and name  HB2)                ! 0.3493  584:1  -----  2.75, 3.01 A
    or (resid    8 and name   HN) (resid    8 and name  HB1)                ! 0.2813  584:1  -----  2.85, 2.95 A
assign (resid   32 and name   HN) (resid   32 and name  HB2) 2.65 0.85 0.85 ! 0.5072  585:1  Ambig  2.75, 2.85 A
    or (resid   32 and name   HN) (resid   31 and name  HB2)                ! 0.4872  585:1  -----  2.77, 2.87 A
assign (resid   34 and name HE21) (resid    5 and name  HB2) 3.15 1.35 1.35 ! 0.9698  586:1  Long   3.66, 3.99 A
assign (resid   29 and name HD21) (resid   29 and name  HB*) 2.30 0.50 0.50 ! 0.0000  587:1  Intra  2.10, 2.82 A
assign (resid   34 and name HE21) (resid    5 and name  HB1) 2.65 0.85 0.85 ! 0.9984  589:1  Long   2.12, 2.55 A
assign (resid   29 and name HD21) (resid   32 and name  HB2) 3.65 1.85 1.85 ! 0.0000  591:1  Mid    3.41, 3.97 A
assign (resid   31 and name  HD*) (resid   31 and name  HB1) 2.30 0.50 0.50 ! 0.9975  592:1  Intra  2.31, 3.05 A
assign (resid   29 and name HD22) (resid   29 and name  HB*) 2.65 0.85 0.85 ! 0.5946  593:1  Ambig  3.42, 3.76 A
    or (resid   31 and name  HD*) (resid   29 and name  HB*)                ! 0.4054  593:1  -----  3.64, 6.48 A
assign (resid   31 and name  HD*) (resid   31 and name  HB2) 2.30 0.50 0.50 ! 0.9885  596:1  Intra  2.35, 3.05 A
assign (resid   13 and name  HD*) (resid   13 and name  HB1) 2.30 0.50 0.50 ! 0.9885  597:1  Intra  2.25, 3.02 A
assign (resid    7 and name HE22) (resid   13 and name  HB2) 2.65 0.85 0.85 ! 0.9296  598:1  Long   2.90, 3.07 A
assign (resid    7 and name HE21) (resid   13 and name  HB2) 2.65 0.85 0.85 ! 0.6525  599:1  Ambig  3.37, 3.68 A
    or (resid    7 and name HE21) (resid   32 and name  HB2)                ! 0.2285  599:1  -----  4.01, 4.35 A
assign (resid   31 and name  HE*) (resid   31 and name  HB1) 3.65 1.85 1.85 ! 0.0000  600:1  Intra  4.60, 5.06 A
assign (resid    5 and name  HD*) (resid    5 and name  HB2) 2.30 0.50 0.50 ! 0.9855  601:1  Intra  2.32, 3.03 A
assign (resid   34 and name HE22) (resid    5 and name  HB2) 3.65 1.85 1.85 ! 0.0000  602:1  Long   4.61, 4.73 A
assign (resid    5 and name  HD*) (resid    5 and name  HB1) 2.30 0.50 0.50 ! 0.8858  603:1  Intra  2.36, 3.05 A
assign (resid   34 and name HE22) (resid    5 and name  HB1) 3.15 1.35 1.35 ! 0.9968  604:1  Long   2.91, 3.04 A
assign (resid    4 and name  HD2) (resid    4 and name  HB2) 3.15 1.35 1.35 ! 0.5092  605:1  Ambig  3.62, 3.67 A
    or (resid    4 and name  HD2) (resid   35 and name  HB1)                ! 0.2767  605:1  -----  4.01, 4.23 A
    or (resid    5 and name  HD*) (resid    4 and name  HB2)                ! 0.2141  605:1  -----  4.18, 6.10 A
assign (resid   31 and name  HE*) (resid   31 and name  HB2) 3.15 1.35 1.35 ! 0.0000  606:1  Intra  4.62, 5.05 A
assign (resid   32 and name  HD*) (resid   32 and name  HB2) 2.30 0.50 0.50 ! 0.9939  607:1  Intra  2.50, 3.06 A
assign (resid    9 and name   HN) (resid   33 and name  HB2) 2.30 0.50 0.50 ! 0.8552  608:1  Long   1.88, 2.46 A
assign (resid    5 and name  HE*) (resid    5 and name  HB2) 3.15 1.35 1.35 ! 0.0000  609:1  Intra  4.62, 5.04 A
assign (resid    5 and name  HE*) (resid    5 and name  HB1) 3.15 1.35 1.35 ! 0.8347  610:1  Intra  4.65, 5.05 A
assign (resid   13 and name  HE*) (resid   13 and name  HB2) 3.15 1.35 1.35 ! 0.2909  611:1  Ambig  4.66, 5.04 A
    or (resid   32 and name  HE*) (resid   32 and name  HB2)                ! 0.2788  611:1  -----  4.69, 5.04 A
    or (resid   13 and name  HE*) (resid    8 and name  HB1)                ! 0.2615  611:1  -----  4.74, 7.22 A
assign (resid    8 and name   HA) (resid    8 and name  HB1) 3.15 1.35 1.35 ! 0.9706  612:1  Intra  2.31, 2.35 A
assign (resid  101 and name   H1) (resid  101 and name   H2) 3.65 1.85 1.85 ! 0.9812  614:1  Intra  3.02, 3.05 A
assign (resid   31 and name   HA) (resid   31 and name  HB1) 3.15 1.35 1.35 ! 0.0000  615:1  Intra  2.35, 2.44 A
assign (resid    5 and name   HA) (resid    5 and name  HB2) 3.65 1.85 1.85 ! 0.9255  616:1  Intra  3.01, 3.03 A
assign (resid   30 and name  HD1) (resid   29 and name  HB*) 2.65 0.85 0.85 ! 0.0000  617:1  Seq    2.46, 3.25 A
assign (resid    4 and name   HA) (resid   35 and name  HB2) 2.65 0.85 0.85 ! 0.5372  618:1  Ambig  2.39, 2.62 A
    or (resid    5 and name   HA) (resid    5 and name  HB1)                ! 0.4427  618:1  -----  2.47, 2.53 A
assign (resid    4 and name   HA) (resid    4 and name  HB2) 2.65 0.85 0.85 ! 0.8600  619:1  Intra  2.57, 2.60 A
assign (resid    9 and name  HA1) (resid   33 and name  HB2) 2.65 0.85 0.85 ! 0.5635  620:1  Ambig  2.90, 3.48 A
    or (resid   10 and name  HA2) (resid   33 and name  HB2)                ! 0.1950  620:1  -----  3.46, 3.79 A
    or (resid   10 and name  HA2) (resid   13 and name  HB1)                ! 0.1046  620:1  -----  3.83, 4.26 A
assign (resid  101 and name   H3) (resid  101 and name   H2) 2.65 0.85 0.85 ! 0.9862  621:1  Intra  3.01, 3.04 A
assign (resid   30 and name  HD2) (resid   29 and name  HB*) 2.30 0.50 0.50 ! 0.0000  622:1  Seq    2.14, 2.96 A
assign (resid   19 and name  HB1) (resid   35 and name  HB2) 2.65 0.85 0.85 ! 0.0000  623:1  Long   3.46, 3.50 A
assign (resid   23 and name HG2*) (resid   35 and name  HB2) 3.15 1.35 1.35 ! 0.5366  637:1  Ambig  3.70, 4.69 A
    or (resid   23 and name HG2*) (resid    4 and name  HB1)                ! 0.4634  637:1  -----  3.79, 4.65 A
assign (resid   23 and name HG2*) (resid    4 and name  HB2) 3.15 1.35 1.35 ! 0.9602  638:1  Long   2.22, 3.19 A
assign (resid    3 and name   HN) (resid    2 and name  HG1) 2.65 0.85 0.85 ! 0.9964  639:1  Seq    2.21, 2.83 A
assign (resid   26 and name   HN) (resid   26 and name  HG1) 2.65 0.85 0.85 ! 0.7206  640:1  Ambig  2.38, 2.97 A
    or (resid   36 and name   HN) (resid   26 and name  HG1)                ! 0.2695  640:1  -----  2.80, 3.31 A
assign (resid   26 and name   HN) (resid   26 and name  HG2) 2.65 0.85 0.85 ! 0.6694  641:1  Ambig  2.06, 2.92 A
    or (resid   36 and name   HN) (resid   26 and name  HG2)                ! 0.2968  641:1  -----  2.36, 3.75 A
assign (resid   26 and name   HN) (resid   26 and name  HB1) 2.65 0.85 0.85 ! 0.3905  642:1  Ambig  3.58, 3.64 A
    or (resid   36 and name   HN) (resid   34 and name  HG2)                ! 0.1876  642:1  -----  4.05, 4.41 A
    or (resid   34 and name   HN) (resid   34 and name  HG2)                ! 0.1599  642:1  -----  4.16, 4.36 A
    or (resid   34 and name   HN) (resid   26 and name  HB1)                ! 0.0838  642:1  -----  4.63, 4.84 A
assign (resid    2 and name HE21) (resid    2 and name  HG1) 3.15 1.35 1.35 ! 0.0000  643:1  Intra  2.93, 3.14 A
assign (resid    6 and name   HN) (resid    2 and name  HG1) 3.15 1.35 1.35 ! 0.0000  644:1  Mid    3.32, 3.48 A
assign (resid   29 and name   HN) (resid   32 and name  HB1) 3.15 1.35 1.35 ! 0.9964  645:1  Mid    2.93, 3.42 A
assign (resid    2 and name HE21) (resid    2 and name  HG2) 2.65 0.85 0.85 ! 0.9941  646:1  Intra  2.12, 2.17 A
assign (resid   25 and name   HN) (resid   19 and name  HB2) 3.15 1.35 1.35 ! 0.9227  647:1  Long   3.12, 3.42 A
assign (resid   19 and name   HN) (resid   19 and name  HB2) 2.30 0.50 0.50 ! 0.9959  648:1  Intra  2.37, 2.41 A
assign (resid   31 and name   HN) (resid   30 and name  HB1) 3.15 1.35 1.35 ! 0.5431  649:1  Ambig  4.05, 4.17 A
    or (resid   27 and name   HN) (resid   26 and name  HG2)                ! 0.4406  649:1  -----  4.19, 4.71 A
assign (resid    7 and name   HN) (resid    7 and name  HB2) 2.65 0.85 0.85 ! 0.9916  650:1  Intra  2.50, 2.62 A
assign (resid   27 and name   HN) (resid   26 and name  HB1) 2.65 0.85 0.85 ! 0.7513  651:1  Ambig  3.08, 3.31 A
    or (resid   31 and name   HN) (resid   30 and name  HG2)                ! 0.1845  651:1  -----  3.89, 4.20 A
assign (resid   17 and name   HN) (resid   16 and name  HB1) 3.15 1.35 1.35 ! 0.0000  652:1  Seq    3.52, 3.88 A
assign (resid   32 and name   HN) (resid   32 and name  HB1) 2.65 0.85 0.85 ! 0.0000  653:1  Intra  2.55, 2.61 A
assign (resid    8 and name   HN) (resid    7 and name  HG1) 2.65 0.85 0.85 ! 0.7355  654:1  Ambig  3.09, 3.34 A
    or (resid    8 and name   HN) (resid    2 and name  HG2)                ! 0.2588  654:1  -----  3.68, 4.09 A
assign (resid   20 and name   HN) (resid   19 and name  HB2) 3.15 1.35 1.35 ! 0.9152  655:1  Seq    3.94, 4.07 A
assign (resid    8 and name   HN) (resid    7 and name  HB2) 3.65 1.85 1.85 ! 0.8530  656:1  Seq    4.19, 4.27 A
assign (resid   29 and name HD21) (resid   32 and name  HB1) 3.65 1.85 1.85 ! 0.0000  657:1  Mid    1.79, 2.45 A
assign (resid   34 and name HE21) (resid   34 and name  HG1) 2.65 0.85 0.85 ! 0.0000  658:1  Intra  2.14, 2.19 A
assign (resid    2 and name HE22) (resid    2 and name  HG1) 3.15 1.35 1.35 ! 0.9503  659:1  Intra  3.77, 3.89 A
assign (resid    2 and name HE22) (resid   16 and name  HB1) 3.65 1.85 1.85 ! 0.7141  660:1  Ambig  4.02, 4.81 A
    or (resid   18 and name   HN) (resid   16 and name  HB1)                ! 0.2859  660:1  -----  4.68, 5.03 A
assign (resid    2 and name HE22) (resid    2 and name  HG2) 3.15 1.35 1.35 ! 0.8937  661:1  Intra  3.44, 3.47 A
assign (resid   29 and name HD22) (resid   32 and name  HB1) 3.15 1.35 1.35 ! 0.9992  662:1  Mid    1.77, 2.49 A
assign (resid   26 and name HE21) (resid   26 and name  HG1) 3.15 1.35 1.35 ! 0.0000  663:1  Intra  2.17, 2.44 A
assign (resid    7 and name HE21) (resid    7 and name  HG1) 2.65 0.85 0.85 ! 0.0000  664:1  Intra  2.31, 2.35 A
assign (resid    7 and name HE22) (resid    7 and name  HG1) 3.15 1.35 1.35 ! 0.0000  665:1  Intra  3.48, 3.51 A
assign (resid   26 and name HE21) (resid   26 and name  HG2) 3.15 1.35 1.35 ! 0.9750  666:1  Intra  2.13, 2.64 A
assign (resid   32 and name  HD*) (resid   32 and name  HB1) 2.30 0.50 0.50 ! 0.0000  667:1  Intra  2.22, 3.01 A
assign (resid   33 and name   HN) (resid   32 and name  HB1) 3.15 1.35 1.35 ! 0.9046  668:1  Seq    4.23, 4.30 A
assign (resid   26 and name HE22) (resid   26 and name  HG1) 3.65 1.85 1.85 ! 0.0000  669:1  Intra  3.44, 3.56 A
assign (resid   32 and name  HD*) (resid    7 and name  HG1) 3.15 1.35 1.35 ! 0.0000  670:1  Long   2.60, 4.58 A
assign (resid   33 and name   HN) (resid    7 and name  HG1) 2.65 0.85 0.85 ! 0.9001  671:1  Long   2.10, 2.24 A
assign (resid   26 and name HE22) (resid   26 and name  HG2) 3.15 1.35 1.35 ! 0.0000  672:1  Intra  3.41, 3.65 A
assign (resid   34 and name HE22) (resid   34 and name  HG1) 2.65 0.85 0.85 ! 0.0000  673:1  Intra  3.44, 3.46 A
assign (resid   32 and name  HE*) (resid   32 and name  HB1) 3.15 1.35 1.35 ! 0.7765  675:1  Ambig  4.54, 5.03 A
    or (resid   13 and name  HE*) (resid    2 and name  HG1)                ! 0.2235  675:1  -----  5.59, 7.10 A
assign (resid   32 and name  HE*) (resid    7 and name  HG1) 3.15 1.35 1.35 ! 0.6824  676:1  Ambig  3.29, 5.14 A
    or (resid   13 and name  HE*) (resid    2 and name  HG2)                ! 0.2333  676:1  -----  3.93, 5.67 A
assign (resid   32 and name  HE*) (resid    7 and name  HB2) 2.30 0.50 0.50 ! 0.9836  677:1  Long   2.07, 4.45 A
assign (resid   16 and name   HA) (resid   16 and name  HB1) 3.65 1.85 1.85 ! 0.9989  678:1  Intra  2.26, 2.28 A
assign (resid   30 and name   HA) (resid   30 and name  HB1) 2.65 0.85 0.85 ! 0.9935  679:1  Intra  2.26, 2.27 A
assign (resid   30 and name  HD1) (resid   30 and name  HG2) 2.65 0.85 0.85 ! 0.0000  680:1  Intra  2.68, 2.70 A
assign (resid    8 and name  HB2) (resid   25 and name  HB2) 3.15 1.35 1.35 ! 0.0000  681:1  Long   2.38, 2.67 A
assign (resid    6 and name  HA1) (resid    2 and name  HG1) 2.65 0.85 0.85 ! 0.9864  682:1  Mid    2.27, 2.66 A
assign (resid   16 and name  HD2) (resid   16 and name  HB1) 3.15 1.35 1.35 ! 0.0000  683:1  Intra  3.92, 3.97 A
assign (resid    6 and name  HA1) (resid    2 and name  HG2) 3.15 1.35 1.35 ! 0.6651  684:1  Ambig  3.14, 3.52 A
    or (resid    8 and name  HB2) (resid    2 and name  HG2)                ! 0.2777  684:1  -----  3.63, 4.10 A
assign (resid   16 and name  HD1) (resid   16 and name  HG1) 2.30 0.50 0.50 ! 0.4710  686:1  Ambig  2.27, 2.30 A
    or (resid   30 and name  HD2) (resid   30 and name  HG2)                ! 0.4291  686:1  -----  2.30, 2.32 A
assign (resid   26 and name  HG1) (resid   26 and name  HB1) 2.65 0.85 0.85 ! 0.9852  691:1  Intra  2.44, 2.72 A
assign (resid    2 and name  HB1) (resid    2 and name  HG1) 2.65 0.85 0.85 ! 0.9969  694:1  Intra  2.35, 2.39 A
assign (resid    2 and name  HB2) (resid    2 and name  HG1) 2.65 0.85 0.85 ! 0.8446  695:1  Intra  3.00, 3.01 A
assign (resid   30 and name  HG1) (resid   30 and name  HB1) 2.30 0.50 0.50 ! 0.9954  697:1  Intra  2.31, 2.33 A
assign (resid   34 and name  HB2) (resid   34 and name  HG1) 2.30 0.50 0.50 ! 0.9965  699:1  Intra  2.39, 2.42 A
assign (resid   36 and name  HB*) (resid   26 and name  HB1) 3.15 1.35 1.35 ! 0.5328  701:1  Ambig  4.31, 5.33 A
    or (resid   36 and name  HB*) (resid   34 and name  HG2)                ! 0.4672  701:1  -----  4.40, 4.91 A
assign (resid   11 and name HD1*) (resid   30 and name  HB1) 3.15 1.35 1.35 ! 0.0000  703:1  Long   2.40, 3.44 A
assign (resid   26 and name   HN) (resid   26 and name  HB2) 2.30 0.50 0.50 ! 0.7336  704:1  Ambig  2.50, 2.58 A
    or (resid   34 and name   HN) (resid   26 and name  HB2)                ! 0.1880  704:1  -----  3.14, 3.48 A
assign (resid    2 and name   HN) (resid    2 and name  HB1) 3.15 1.35 1.35 ! 0.0000  705:1  Intra  2.36, 2.55 A
assign (resid   34 and name   HN) (resid   28 and name   HG) 2.65 0.85 0.85 ! 0.8763  706:1  Long   2.53, 2.98 A
assign (resid    2 and name   HN) (resid    2 and name  HB2) 3.15 1.35 1.35 ! 0.7806  707:1  Ambig  2.59, 2.83 A
    or (resid    2 and name   HN) (resid   16 and name  HB2)                ! 0.2194  707:1  -----  3.20, 4.10 A
assign (resid   36 and name   HN) (resid   36 and name  HB*) 2.30 0.50 0.50 ! 0.7832  708:1  Ambig  2.44, 3.13 A
    or (resid   34 and name   HN) (resid   34 and name  HB2)                ! 0.2100  708:1  -----  3.04, 3.22 A
assign (resid   28 and name   HN) (resid   28 and name  HB2) 2.30 0.50 0.50 ! 0.4625  709:1  Ambig  2.41, 2.46 A
    or (resid   27 and name   HN) (resid   27 and name   HB)                ! 0.4600  709:1  -----  2.42, 2.49 A
assign (resid   28 and name   HN) (resid   28 and name   HG) 2.65 0.85 0.85 ! 0.8586  710:1  Intra  2.22, 2.42 A
assign (resid    7 and name   HN) (resid    7 and name  HB1) 2.65 0.85 0.85 ! 0.0000  711:1  Intra  2.39, 2.50 A
assign (resid   35 and name   HN) (resid   34 and name  HG2) 2.65 0.85 0.85 ! 0.9868  713:1  Seq    2.86, 3.11 A
assign (resid   17 and name   HN) (resid   18 and name   HB) 3.65 1.85 1.85 ! 0.6863  714:1  Ambig  4.10, 4.27 A
    or (resid   17 and name   HN) (resid   16 and name  HG2)                ! 0.1722  714:1  -----  5.16, 5.29 A
assign (resid   35 and name   HN) (resid   34 and name  HB1) 3.15 1.35 1.35 ! 0.7174  715:1  Ambig  4.10, 4.24 A
    or (resid   35 and name   HN) (resid    2 and name  HB1)                ! 0.2826  715:1  -----  4.78, 5.15 A
assign (resid   17 and name   HN) (resid   16 and name  HB2) 3.15 1.35 1.35 ! 0.5180  716:1  Ambig  3.52, 3.75 A
    or (resid   17 and name   HN) (resid    2 and name  HB2)                ! 0.4820  716:1  -----  3.56, 3.79 A
assign (resid   35 and name   HN) (resid   34 and name  HB2) 3.15 1.35 1.35 ! 0.8131  717:1  Seq    3.96, 4.17 A
assign (resid   11 and name   HN) (resid   11 and name HG11) 2.30 0.50 0.50 ! 0.0000  718:1  Intra  1.99, 2.10 A
assign (resid   20 and name   HN) (resid    2 and name  HB1) 3.65 1.85 1.85 ! 0.0000  719:1  Long   3.65, 3.91 A
assign (resid   29 and name HD21) (resid   28 and name  HB2) 3.65 1.85 1.85 ! 0.9981  720:1  Seq    2.11, 2.70 A
assign (resid   29 and name HD21) (resid   28 and name  HB1) 3.65 1.85 1.85 ! 0.9745  721:1  Seq    2.44, 3.18 A
assign (resid    2 and name HE22) (resid   16 and name  HG2) 2.30 0.50 0.50 ! 0.8338  722:1  Long   1.89, 2.46 A
assign (resid    2 and name HE22) (resid   16 and name  HB2) 3.15 1.35 1.35 ! 0.6722  723:1  Ambig  2.75, 3.56 A
    or (resid   18 and name   HN) (resid    2 and name  HB2)                ! 0.1985  723:1  -----  3.37, 4.07 A
assign (resid   29 and name HD22) (resid   28 and name  HB2) 3.65 1.85 1.85 ! 0.8117  724:1  Seq    2.86, 3.43 A
assign (resid   29 and name HD22) (resid   28 and name  HB1) 3.65 1.85 1.85 ! 0.9517  725:1  Seq    3.04, 3.77 A
assign (resid   26 and name HE21) (resid   36 and name  HB*) 3.15 1.35 1.35 ! 0.9992  726:1  Long   1.99, 3.11 A
assign (resid    5 and name  HD*) (resid   34 and name  HG2) 3.65 1.85 1.85 ! 0.7761  727:1  Ambig  3.57, 5.30 A
    or (resid    4 and name  HD2) (resid   34 and name  HG2)                ! 0.2239  727:1  -----  4.39, 4.58 A
assign (resid   32 and name  HD*) (resid   28 and name  HB2) 2.65 0.85 0.85 ! 0.9902  728:1  Mid    2.11, 4.19 A
assign (resid   32 and name  HD*) (resid   28 and name  HB1) 2.65 0.85 0.85 ! 0.7083  729:1  Ambig  3.09, 5.48 A
    or (resid   32 and name  HD*) (resid   28 and name   HG)                ! 0.2917  729:1  -----  3.58, 5.61 A
assign (resid    9 and name   HN) (resid    7 and name  HB1) 3.65 1.85 1.85 ! 0.7664  730:1  Ambig  4.18, 4.45 A
    or (resid   33 and name   HN) (resid    7 and name  HB1)                ! 0.2336  730:1  -----  5.10, 5.20 A
assign (resid    4 and name  HD2) (resid   36 and name  HB*) 3.15 1.35 1.35 ! 0.5957  732:1  Ambig  4.40, 4.92 A
    or (resid    5 and name  HD*) (resid   36 and name  HB*)                ! 0.2063  732:1  -----  5.25, 7.30 A
assign (resid   26 and name HE22) (resid   36 and name  HB*) 3.65 1.85 1.85 ! 0.0000  733:1  Long   2.24, 3.66 A
assign (resid   32 and name  HE*) (resid   34 and name  HB1) 2.65 0.85 0.85 ! 0.5182  734:1  Ambig  3.53, 4.73 A
    or (resid   32 and name  HE*) (resid   28 and name  HB2)                ! 0.4516  734:1  -----  3.61, 5.42 A
assign (resid   13 and name  HE*) (resid   16 and name  HB2) 3.15 1.35 1.35 ! 0.3644  735:1  Ambig  3.77, 5.63 A
    or (resid   32 and name  HE*) (resid   28 and name   HG)                ! 0.2626  735:1  -----  3.98, 5.91 A
    or (resid   32 and name  HE*) (resid   28 and name  HB1)                ! 0.2138  735:1  -----  4.12, 6.36 A
assign (resid   13 and name  HE*) (resid    7 and name  HB1) 2.65 0.85 0.85 ! 0.6140  736:1  Ambig  3.53, 4.04 A
    or (resid   32 and name  HE*) (resid    7 and name  HB1)                ! 0.3860  736:1  -----  3.82, 6.15 A
assign (resid   32 and name  HE*) (resid   34 and name  HB2) 2.65 0.85 0.85 ! 0.0000  737:1  Mid    2.47, 3.59 A
assign (resid   30 and name   HA) (resid   30 and name  HG1) 3.15 1.35 1.35 ! 0.9724  739:1  Intra  2.81, 3.04 A
assign (resid    5 and name   HA) (resid   34 and name  HG2) 2.65 0.85 0.85 ! 0.9696  740:1  Long   2.18, 2.52 A
assign (resid   18 and name   HA) (resid   18 and name   HB) 3.15 1.35 1.35 ! 0.9503  741:1  Intra  3.03, 3.04 A
assign (resid    1 and name   HA) (resid   18 and name   HB) 3.15 1.35 1.35 ! 0.9975  742:1  Long   2.37, 2.78 A
assign (resid   27 and name   HA) (resid   27 and name   HB) 3.15 1.35 1.35 ! 0.8349  743:1  Intra  3.03, 3.04 A
assign (resid   30 and name  HD1) (resid   30 and name  HG1) 2.65 0.85 0.85 ! 0.9962  744:1  Intra  2.31, 2.34 A
assign (resid    1 and name   HA) (resid    2 and name  HB2) 3.65 1.85 1.85 ! 0.5012  745:1  Ambig  4.13, 4.34 A
    or (resid    1 and name   HA) (resid   16 and name  HB2)                ! 0.4742  745:1  -----  4.17, 4.96 A
assign (resid   11 and name   HA) (resid   11 and name HG11) 2.65 0.85 0.85 ! 0.0000  746:1  Intra  2.96, 3.02 A
assign (resid   15 and name  HA1) (resid   17 and name HG2*) 3.15 1.35 1.35 ! 0.4441  747:1  Ambig  4.18, 5.63 A
    or (resid   19 and name  HB1) (resid   20 and name  HB*)                ! 0.3441  747:1  -----  4.36, 5.36 A
    or (resid   14 and name  HB1) (resid   17 and name HG2*)                ! 0.1958  747:1  -----  4.79, 6.43 A
assign (resid   16 and name  HD2) (resid   16 and name  HG2) 2.30 0.50 0.50 ! 0.6528  748:1  Ambig  2.28, 2.32 A
    or (resid   16 and name  HD2) (resid   16 and name  HG1)                ! 0.2512  748:1  -----  2.67, 2.70 A
assign (resid   30 and name  HD2) (resid   30 and name  HG1) 2.65 0.85 0.85 ! 0.9896  750:1  Intra  2.98, 2.99 A
assign (resid   16 and name  HD2) (resid   16 and name  HB2) 3.15 1.35 1.35 ! 0.0000  751:1  Intra  3.78, 4.00 A
assign (resid   16 and name  HD1) (resid   16 and name  HB2) 3.15 1.35 1.35 ! 0.9026  752:1  Intra  3.85, 3.89 A
assign (resid   29 and name  HB*) (resid   28 and name  HB2) 3.65 1.85 1.85 ! 0.7280  753:1  Ambig  3.89, 4.83 A
    or (resid   29 and name  HB*) (resid   30 and name  HG1)                ! 0.2586  753:1  -----  4.62, 5.34 A
assign (resid    2 and name  HG1) (resid    2 and name  HB1) 2.65 0.85 0.85 ! 0.8394  754:1  Intra  2.35, 2.39 A
assign (resid    2 and name  HG1) (resid    2 and name  HB2) 2.65 0.85 0.85 ! 0.7611  755:1  Ambig  3.00, 3.01 A
    or (resid    2 and name  HG1) (resid   16 and name  HB2)                ! 0.1400  755:1  -----  3.98, 4.26 A
assign (resid   26 and name  HG1) (resid   36 and name  HB*) 3.15 1.35 1.35 ! 0.9995  756:1  Long   1.91, 3.45 A
assign (resid   16 and name  HB1) (resid   16 and name  HG1) 2.30 0.50 0.50 ! 0.8090  757:1  Intra  2.25, 2.28 A
assign (resid   30 and name  HB1) (resid   30 and name  HG1) 2.30 0.50 0.50 ! 0.4051  758:1  Ambig  2.31, 2.33 A
    or (resid   26 and name  HG2) (resid   26 and name  HB2)                ! 0.3001  758:1  -----  2.43, 2.72 A
    or (resid    2 and name  HG2) (resid    2 and name  HB1)                ! 0.2836  758:1  -----  2.45, 2.48 A
assign (resid    2 and name  HG2) (resid    2 and name  HB2) 2.65 0.85 0.85 ! 0.8115  761:1  Intra  2.36, 2.39 A
assign (resid   34 and name  HG1) (resid   34 and name  HB2) 2.30 0.50 0.50 ! 0.9965  763:1  Intra  2.39, 2.42 A
assign (resid   16 and name  HB2) (resid   16 and name  HG2) 2.30 0.50 0.50 ! 0.7009  764:1  Ambig  2.24, 2.28 A
    or (resid   16 and name  HB2) (resid   16 and name  HG1)                ! 0.2333  764:1  -----  2.69, 2.73 A
assign (resid   18 and name HG1*) (resid   18 and name   HB) 2.30 0.50 0.50 ! 0.5233  769:1  Ambig  2.39, 2.64 A
    or (resid   18 and name HG2*) (resid   18 and name   HB)                ! 0.4767  769:1  -----  2.43, 2.64 A
assign (resid   27 and name HG2*) (resid   27 and name   HB) 2.30 0.50 0.50 ! 0.5740  770:1  Ambig  2.40, 2.62 A
    or (resid   28 and name HD2*) (resid   26 and name  HB2)                ! 0.3706  770:1  -----  2.58, 3.88 A
assign (resid   27 and name HG1*) (resid   27 and name   HB) 2.30 0.50 0.50 ! 0.9715  771:1  Intra  2.42, 2.64 A
assign (resid   11 and name HD1*) (resid   11 and name HG11) 2.30 0.50 0.50 ! 0.0000  772:1  Intra  2.42, 2.63 A
assign (resid   24 and name   HN) (resid   24 and name HG2*) 3.15 1.35 1.35 ! 0.0000  773:1  Intra  3.19, 4.05 A
assign (resid    5 and name   HN) (resid   36 and name HD2*) 3.65 1.85 1.85 ! 0.9766  774:1  Long   3.22, 4.47 A
assign (resid   24 and name   HN) (resid   36 and name HD1*) 3.65 1.85 1.85 ! 0.5118  775:1  Ambig  6.18, 7.01 A
    or (resid    5 and name   HN) (resid   36 and name HD1*)                ! 0.4882  775:1  -----  6.23, 6.84 A
assign (resid   36 and name   HN) (resid   36 and name   HG) 2.65 0.85 0.85 ! 0.8609  776:1  Intra  2.97, 3.11 A
assign (resid   12 and name   HN) (resid   11 and name   HB) 3.65 1.85 1.85 ! 0.0000  777:1  Seq    4.19, 4.35 A
assign (resid    2 and name   HN) (resid    1 and name HG2*) 3.65 1.85 1.85 ! 0.0000  778:1  Seq    2.24, 3.58 A
assign (resid   36 and name   HN) (resid   24 and name HG2*) 3.65 1.85 1.85 ! 0.8176  779:1  Long   5.50, 6.19 A
assign (resid   12 and name   HN) (resid   11 and name HG2*) 2.65 0.85 0.85 ! 0.6772  780:1  Ambig  3.02, 3.89 A
    or (resid   34 and name   HN) (resid   28 and name HD2*)                ! 0.1523  780:1  -----  3.87, 5.22 A
assign (resid    4 and name   HN) (resid   20 and name  HB*) 3.15 1.35 1.35 ! 0.0000  781:1  Long   3.92, 5.01 A
assign (resid   31 and name   HN) (resid   30 and name  HB2) 3.15 1.35 1.35 ! 0.0000  782:1  Seq    2.69, 2.86 A
assign (resid   25 and name   HN) (resid   24 and name HG2*) 3.15 1.35 1.35 ! 0.0000  783:1  Seq    3.50, 4.51 A
assign (resid   28 and name   HN) (resid   28 and name HD1*) 3.65 1.85 1.85 ! 0.9762  784:1  Intra  3.77, 4.48 A
assign (resid   19 and name   HN) (resid   18 and name HG1*) 2.65 0.85 0.85 ! 0.8589  785:1  Seq    3.21, 3.81 A
assign (resid   27 and name   HN) (resid   27 and name HG2*) 2.30 0.50 0.50 ! 0.8981  786:1  Intra  2.18, 3.17 A
assign (resid   28 and name   HN) (resid   27 and name HG1*) 2.65 0.85 0.85 ! 0.7274  787:1  Ambig  3.46, 4.11 A
    or (resid   27 and name   HN) (resid   27 and name HG1*)                ! 0.1910  787:1  -----  4.33, 4.54 A
assign (resid   29 and name   HN) (resid   27 and name HG1*) 2.65 0.85 0.85 ! 0.0000  788:1  Mid    2.89, 3.88 A
assign (resid   35 and name   HN) (resid   36 and name   HG) 3.65 1.85 1.85 ! 0.9633  789:1  Seq    4.19, 4.41 A
assign (resid   21 and name   HN) (resid   20 and name  HB*) 2.65 0.85 0.85 ! 0.0000  790:1  Seq    2.19, 3.46 A
assign (resid   11 and name   HN) (resid   11 and name   HB) 2.30 0.50 0.50 ! 0.0000  791:1  Intra  2.45, 2.54 A
assign (resid   21 and name   HN) (resid    1 and name HG2*) 3.65 1.85 1.85 ! 0.0000  792:1  Long   3.06, 4.57 A
assign (resid   11 and name   HN) (resid   11 and name HG12) 2.65 0.85 0.85 ! 0.5547  793:1  Ambig  3.24, 3.37 A
    or (resid   17 and name   HN) (resid   18 and name HG2*)                ! 0.4336  793:1  -----  3.37, 4.74 A
assign (resid   20 and name   HN) (resid   20 and name  HB*) 2.30 0.50 0.50 ! 0.0000  794:1  Intra  2.35, 2.88 A
assign (resid   20 and name   HN) (resid    1 and name HG2*) 3.65 1.85 1.85 ! 0.0000  795:1  Long   2.47, 3.85 A
assign (resid    8 and name   HN) (resid    7 and name  HG2) 2.65 0.85 0.85 ! 0.9834  796:1  Seq    2.85, 3.23 A
assign (resid   34 and name HE21) (resid   36 and name HD2*) 3.65 1.85 1.85 ! 0.6961  797:1  Ambig  3.81, 4.89 A
    or (resid   34 and name HE21) (resid   28 and name HD1*)                ! 0.3039  797:1  -----  4.38, 5.70 A
assign (resid   18 and name   HN) (resid   18 and name HG2*) 2.65 0.85 0.85 ! 0.9857  798:1  Intra  2.16, 3.17 A
assign (resid   13 and name  HD*) (resid   17 and name HG2*) 3.15 1.35 1.35 ! 0.0000  799:1  Mid    2.76, 5.73 A
assign (resid   31 and name  HD*) (resid   11 and name   HB) 2.65 0.85 0.85 ! 0.0000  800:1  Long   2.12, 3.68 A
assign (resid   26 and name HE21) (resid   24 and name HG2*) 3.65 1.85 1.85 ! 0.0000  801:1  Mid    4.57, 5.14 A
assign (resid    7 and name HE21) (resid    7 and name  HG2) 2.65 0.85 0.85 ! 0.0000  802:1  Intra  2.90, 2.96 A
assign (resid    7 and name HE22) (resid    7 and name  HG2) 3.15 1.35 1.35 ! 0.0000  803:1  Intra  3.73, 3.77 A
assign (resid   29 and name HD22) (resid   28 and name HD1*) 3.15 1.35 1.35 ! 0.7654  804:1  Ambig  3.87, 5.26 A
    or (resid   31 and name  HD*) (resid   11 and name HG12)                ! 0.1515  804:1  -----  5.07, 6.25 A
assign (resid   31 and name  HD*) (resid   11 and name HG2*) 2.65 0.85 0.85 ! 0.6415  805:1  Ambig  3.21, 5.65 A
    or (resid   26 and name HE21) (resid   36 and name HD1*)                ! 0.3042  805:1  -----  3.63, 4.99 A
assign (resid    4 and name  HD2) (resid   36 and name   HG) 3.15 1.35 1.35 ! 0.5134  806:1  Ambig  4.36, 4.57 A
    or (resid    5 and name  HD*) (resid   36 and name   HG)                ! 0.4285  806:1  -----  4.49, 6.17 A
assign (resid   31 and name  HE*) (resid   11 and name   HB) 2.65 0.85 0.85 ! 0.6377  807:1  Ambig  2.72, 4.11 A
    or (resid   31 and name  HE*) (resid   30 and name  HB2)                ! 0.3623  807:1  -----  2.99, 4.46 A
assign (resid    9 and name   HN) (resid    7 and name  HG2) 2.30 0.50 0.50 ! 0.9406  808:1  Mid    2.08, 2.36 A
assign (resid   32 and name  HD*) (resid   28 and name HD1*) 2.65 0.85 0.85 ! 0.9867  809:1  Mid    2.04, 4.96 A
assign (resid    5 and name  HD*) (resid   36 and name HD2*) 2.30 0.50 0.50 ! 0.6659  810:1  Ambig  2.49, 4.61 A
    or (resid    4 and name  HD2) (resid   36 and name HD2*)                ! 0.3341  810:1  -----  2.79, 4.16 A
assign (resid   32 and name  HD*) (resid   28 and name HD2*) 3.15 1.35 1.35 ! 0.0000  811:1  Mid    5.09, 7.37 A
assign (resid   31 and name  HE*) (resid   11 and name HG2*) 2.65 0.85 0.85 ! 0.7435  812:1  Ambig  2.80, 5.10 A
    or (resid   26 and name HE22) (resid   36 and name HD1*)                ! 0.2466  812:1  -----  3.37, 5.29 A
assign (resid   13 and name  HE*) (resid   17 and name HG2*) 2.65 0.85 0.85 ! 0.9882  813:1  Mid    2.78, 5.86 A
assign (resid   32 and name  HE*) (resid   28 and name HD1*) 2.65 0.85 0.85 ! 0.9155  814:1  Mid    1.96, 4.54 A
assign (resid   32 and name  HE*) (resid   28 and name HD1*) 2.65 0.85 0.85 ! 0.8513  815:1  Mid    1.96, 4.54 A
assign (resid   32 and name  HE*) (resid   28 and name HD2*) 3.65 1.85 1.85 ! 0.0000  816:1  Mid    5.09, 7.43 A
assign (resid    3 and name   HA) (resid   20 and name  HB*) 3.15 1.35 1.35 ! 0.5774  817:1  Ambig  2.63, 3.96 A
    or (resid   36 and name   HA) (resid   36 and name   HG)                ! 0.3708  817:1  -----  2.83, 2.97 A
assign (resid   24 and name   HA) (resid   24 and name HG2*) 3.65 1.85 1.85 ! 0.0000  818:1  Intra  2.37, 2.96 A
assign (resid    1 and name   HB) (resid   20 and name  HB*) 3.65 1.85 1.85 ! 0.9978  819:1  Long   2.21, 4.57 A
assign (resid    1 and name   HB) (resid    1 and name HG2*) 2.65 0.85 0.85 ! 0.9899  820:1  Intra  2.40, 2.64 A
assign (resid   30 and name   HA) (resid   30 and name  HB2) 2.65 0.85 0.85 ! 0.9685  821:1  Intra  2.89, 2.91 A
assign (resid   18 and name   HA) (resid   18 and name HG2*) 2.30 0.50 0.50 ! 0.5027  822:1  Ambig  2.48, 3.14 A
    or (resid   18 and name   HA) (resid   18 and name HG1*)                ! 0.4853  822:1  -----  2.50, 3.15 A
assign (resid   20 and name   HA) (resid   20 and name  HB*) 2.65 0.85 0.85 ! 0.9041  823:1  Intra  2.41, 2.63 A
assign (resid   29 and name  HB*) (resid   28 and name  HB1) 3.65 1.85 1.85 ! 0.8676  824:1  Seq    4.36, 5.34 A
assign (resid    9 and name  HA1) (resid   17 and name HG2*) 3.15 1.35 1.35 ! 0.9654  825:1  Long   2.29, 3.94 A
assign (resid   11 and name   HA) (resid   11 and name   HB) 2.65 0.85 0.85 ! 0.0000  826:1  Intra  3.03, 3.04 A
assign (resid   20 and name   HA) (resid    1 and name HG2*) 2.65 0.85 0.85 ! 0.0000  827:1  Long   2.13, 2.75 A
assign (resid    1 and name   HA) (resid    1 and name HG2*) 2.65 0.85 0.85 ! 0.9536  828:1  Intra  2.31, 2.90 A
assign (resid   24 and name   HB) (resid   24 and name HG2*) 2.65 0.85 0.85 ! 0.0000  829:1  Intra  2.42, 2.64 A
assign (resid    1 and name   HA) (resid   18 and name HG1*) 3.15 1.35 1.35 ! 0.8002  830:1  Long   3.53, 4.51 A
assign (resid   27 and name   HA) (resid   27 and name HG2*) 2.65 0.85 0.85 ! 0.9570  831:1  Intra  2.48, 3.11 A
assign (resid   11 and name   HA) (resid   11 and name HG2*) 2.65 0.85 0.85 ! 0.0000  832:1  Intra  2.54, 3.16 A
assign (resid   33 and name  HB1) (resid   27 and name HG1*) 3.65 1.85 1.85 ! 0.0000  833:1  Long   3.95, 5.22 A
assign (resid   27 and name   HA) (resid   27 and name HG1*) 2.65 0.85 0.85 ! 0.0000  834:1  Intra  2.51, 3.14 A
assign (resid   30 and name  HD2) (resid   30 and name  HB2) 2.65 0.85 0.85 ! 0.0000  835:1  Intra  2.79, 2.94 A
assign (resid   33 and name  HB1) (resid   27 and name HG2*) 3.15 1.35 1.35 ! 0.9923  836:1  Long   2.71, 3.90 A
assign (resid   12 and name  HA2) (resid   11 and name HG2*) 3.15 1.35 1.35 ! 0.9802  837:1  Seq    3.83, 4.82 A
assign (resid   13 and name  HB2) (resid    7 and name  HG2) 3.65 1.85 1.85 ! 0.4819  838:1  Ambig  3.71, 4.17 A
    or (resid   33 and name  HB2) (resid    7 and name  HG2)                ! 0.3901  838:1  -----  3.84, 4.05 A
assign (resid   34 and name  HG1) (resid   36 and name   HG) 3.65 1.85 1.85 ! 0.0000  839:1  Mid    3.82, 4.06 A
assign (resid   30 and name  HG2) (resid   30 and name  HB2) 2.65 0.85 0.85 ! 0.0000  841:1  Intra  2.33, 2.36 A
assign (resid    7 and name  HB2) (resid    7 and name  HG2) 2.65 0.85 0.85 ! 0.9501  843:1  Intra  3.01, 3.02 A
assign (resid   28 and name   HG) (resid   28 and name HD1*) 2.65 0.85 0.85 ! 0.5493  844:1  Ambig  2.36, 2.61 A
    or (resid   28 and name  HB1) (resid   28 and name HD1*)                ! 0.4471  844:1  -----  2.45, 3.12 A
assign (resid   34 and name  HB1) (resid   28 and name HD1*) 2.65 0.85 0.85 ! 0.6491  845:1  Ambig  2.14, 2.96 A
    or (resid   28 and name  HB2) (resid   28 and name HD1*)                ! 0.3171  845:1  -----  2.41, 3.03 A
assign (resid   18 and name   HB) (resid   18 and name HG1*) 2.30 0.50 0.50 ! 0.5233  846:1  Ambig  2.39, 2.64 A
    or (resid   18 and name   HB) (resid   18 and name HG2*)                ! 0.4767  846:1  -----  2.43, 2.64 A
assign (resid   26 and name  HB2) (resid   36 and name HD1*) 2.30 0.50 0.50 ! 0.3974  847:1  Ambig  2.34, 3.65 A
    or (resid   27 and name   HB) (resid   27 and name HG2*)                ! 0.3448  847:1  -----  2.40, 2.62 A
    or (resid   26 and name  HB2) (resid   28 and name HD2*)                ! 0.2226  847:1  -----  2.58, 3.88 A
assign (resid   28 and name   HG) (resid   28 and name HD2*) 2.65 0.85 0.85 ! 0.4845  848:1  Ambig  2.41, 2.62 A
    or (resid   28 and name  HB1) (resid   28 and name HD2*)                ! 0.4802  848:1  -----  2.41, 3.07 A
assign (resid   34 and name  HG2) (resid   36 and name HD1*) 2.65 0.85 0.85 ! 0.8561  849:1  Mid    3.72, 4.38 A
assign (resid   27 and name   HB) (resid   27 and name HG1*) 2.30 0.50 0.50 ! 0.9895  850:1  Intra  2.42, 2.64 A
assign (resid   36 and name  HB*) (resid   36 and name HD1*) 2.30 0.50 0.50 ! 0.9404  852:1  Intra  2.37, 3.08 A
assign (resid   11 and name HD1*) (resid   11 and name   HB) 2.30 0.50 0.50 ! 0.0000  854:1  Intra  2.54, 3.16 A
assign (resid   11 and name HD1*) (resid   11 and name HG2*) 2.30 0.50 0.50 ! 0.0000  855:1  Intra  2.00, 3.65 A
assign (resid   24 and name   HN) (resid   23 and name HG2*) 3.15 1.35 1.35 ! 0.0000  856:1  Seq    4.11, 4.76 A
assign (resid   36 and name   HN) (resid   23 and name HG2*) 3.65 1.85 1.85 ! 0.8354  857:1  Long   5.06, 5.68 A
assign (resid    4 and name   HN) (resid   23 and name HG2*) 3.65 1.85 1.85 ! 0.0000  858:1  Long   3.30, 4.70 A
assign (resid   11 and name   HN) (resid   11 and name HD1*) 3.15 1.35 1.35 ! 0.0000  859:1  Intra  3.84, 4.39 A
assign (resid    4 and name  HE1) (resid   23 and name HG2*) 3.65 1.85 1.85 ! 0.9589  860:1  Long   3.70, 4.74 A
assign (resid   23 and name   HN) (resid   23 and name HG2*) 2.65 0.85 0.85 ! 0.0000  861:1  Intra  2.61, 3.61 A
assign (resid   31 and name  HD*) (resid   11 and name HD1*) 3.15 1.35 1.35 ! 0.0000  862:1  Long   3.46, 5.41 A
assign (resid   31 and name  HE*) (resid   11 and name HD1*) 3.15 1.35 1.35 ! 0.0000  863:1  Long   2.90, 4.98 A
assign (resid    4 and name  HD2) (resid   23 and name HG2*) 2.65 0.85 0.85 ! 0.9734  864:1  Long   3.00, 3.73 A
assign (resid   11 and name   HA) (resid   11 and name HD1*) 3.15 1.35 1.35 ! 0.0000  865:1  Intra  4.39, 4.65 A
assign (resid    4 and name   HA) (resid   23 and name HG2*) 3.15 1.35 1.35 ! 0.9941  866:1  Long   2.24, 3.49 A
assign (resid   23 and name   HB) (resid   23 and name HG2*) 2.30 0.50 0.50 ! 0.0000  867:1  Intra  2.39, 2.62 A
assign (resid   19 and name  HB1) (resid   23 and name HG2*) 3.15 1.35 1.35 ! 0.5995  868:1  Ambig  4.36, 4.87 A
    or (resid   22 and name  HA2) (resid   23 and name HG2*)                ! 0.4005  868:1  -----  4.66, 5.62 A
assign (resid    4 and name  HB1) (resid   23 and name HG2*) 3.15 1.35 1.35 ! 0.0000  869:1  Long   3.79, 4.65 A
assign (resid   35 and name  HB2) (resid   23 and name HG2*) 3.15 1.35 1.35 ! 0.0000  870:1  Long   3.70, 4.69 A
assign (resid    4 and name  HB2) (resid   23 and name HG2*) 2.65 0.85 0.85 ! 0.0000  871:1  Long   2.22, 3.19 A
assign (resid   30 and name  HB1) (resid   11 and name HD1*) 3.15 1.35 1.35 ! 0.0000  872:1  Long   2.40, 3.44 A
assign (resid   11 and name HG11) (resid   11 and name HD1*) 2.30 0.50 0.50 ! 0.0000  873:1  Intra  2.42, 2.63 A
assign (resid   36 and name   HN) (resid   24 and name   HN) 2.30 0.50 0.50 ! 0.9575  874:1  Long   2.50, 2.64 A
assign (resid   28 and name   HN) (resid   34 and name   HN) 2.65 0.85 0.85 ! 0.7009  875:1  Ambig  3.33, 3.53 A
    or (resid   27 and name   HN) (resid   26 and name   HN)                ! 0.1689  875:1  -----  4.23, 4.31 A
assign (resid   25 and name   HN) (resid   26 and name   HN) 3.15 1.35 1.35 ! 0.5879  876:1  Ambig  4.24, 4.36 A
    or (resid   25 and name   HN) (resid   36 and name   HN)                ! 0.3773  876:1  -----  4.56, 4.79 A
assign (resid   11 and name   HN) (resid   31 and name   HN) 3.15 1.35 1.35 ! 0.5363  877:1  Ambig  4.28, 4.51 A
    or (resid   11 and name   HN) (resid   10 and name   HN)                ! 0.4340  877:1  -----  4.44, 4.48 A
assign (resid   35 and name   HN) (resid    6 and name   HN) 3.15 1.35 1.35 ! 0.9797  878:1  Long   3.19, 3.40 A
assign (resid   34 and name   HN) (resid   28 and name   HN) 3.15 1.35 1.35 ! 0.6639  879:1  Ambig  3.33, 3.53 A
    or (resid   26 and name   HN) (resid   27 and name   HN)                ! 0.1600  879:1  -----  4.23, 4.31 A
assign (resid    5 and name   HN) (resid   35 and name   HN) 3.65 1.85 1.85 ! 0.9541  880:1  Long   3.63, 3.76 A
assign (resid   24 and name   HN) (resid   23 and name   HN) 3.65 1.85 1.85 ! 0.0000  881:1  Seq    4.40, 4.44 A
assign (resid    2 and name   HN) (resid   20 and name   HN) 3.65 1.85 1.85 ! 0.0000  882:1  Long   2.91, 3.23 A
assign (resid   24 and name   HN) (resid   26 and name HE21) 3.65 1.85 1.85 ! 0.0000  883:1  Mid    2.99, 3.26 A
assign (resid   36 and name   HN) (resid   26 and name HE21) 3.65 1.85 1.85 ! 0.9903  884:1  Long   2.82, 2.97 A
assign (resid   34 and name   HN) (resid   33 and name   HN) 3.65 1.85 1.85 ! 0.6109  885:1  Ambig  4.25, 4.33 A
    or (resid   34 and name   HN) (resid    9 and name   HN)                ! 0.2177  885:1  -----  5.05, 5.72 A
assign (resid   36 and name   HN) (resid   26 and name HE22) 3.65 1.85 1.85 ! 0.4214  886:1  Ambig  4.05, 4.41 A
    or (resid   36 and name   HN) (resid    4 and name  HD2)                ! 0.3810  886:1  -----  4.11, 4.29 A
assign (resid   34 and name   HN) (resid   32 and name  HE*) 3.65 1.85 1.85 ! 0.0000  887:1  Mid    4.98, 5.97 A
assign (resid    6 and name   HN) (resid    4 and name  HD2) 3.65 1.85 1.85 ! 0.3764  888:1  Ambig  4.43, 4.54 A
    or (resid    4 and name   HN) (resid    4 and name  HD2)                ! 0.2250  888:1  -----  4.82, 4.88 A
    or (resid    4 and name   HN) (resid    5 and name  HD*)                ! 0.2160  888:1  -----  4.86, 6.68 A
assign (resid    7 and name   HN) (resid   32 and name  HE*) 3.65 1.85 1.85 ! 0.8369  889:1  Long   3.75, 5.83 A
assign (resid    7 and name   HN) (resid    2 and name HE22) 3.15 1.35 1.35 ! 0.8767  890:1  Long   3.06, 3.57 A
assign (resid   29 and name   HN) (resid   32 and name  HD*) 3.15 1.35 1.35 ! 0.6290  891:1  Ambig  3.64, 5.32 A
    or (resid   28 and name   HN) (resid   32 and name  HD*)                ! 0.3404  891:1  -----  4.03, 5.59 A
assign (resid   10 and name   HN) (resid    9 and name   HN) 3.15 1.35 1.35 ! 0.8595  892:1  Seq    2.59, 2.76 A
assign (resid    4 and name  HE1) (resid    4 and name  HD2) 3.65 1.85 1.85 ! 0.5303  893:1  Ambig  4.21, 4.22 A
    or (resid    4 and name  HE1) (resid    5 and name  HD*)                ! 0.2285  893:1  -----  4.84, 6.30 A
    or (resid   35 and name   HN) (resid    4 and name  HD2)                ! 0.1900  893:1  -----  4.99, 5.09 A
assign (resid   14 and name   HN) (resid   13 and name  HD*) 3.15 1.35 1.35 ! 0.9789  894:1  Seq    3.16, 4.39 A
assign (resid   11 and name   HN) (resid   31 and name  HD*) 3.65 1.85 1.85 ! 0.0000  895:1  Long   3.33, 4.68 A
assign (resid   29 and name   HN) (resid   29 and name HD22) 3.65 1.85 1.85 ! 0.9123  896:1  Intra  3.90, 4.10 A
assign (resid    6 and name   HN) (resid   35 and name   HN) 3.65 1.85 1.85 ! 0.0000  897:1  Long   3.19, 3.40 A
assign (resid   35 and name   HN) (resid    5 and name   HN) 3.65 1.85 1.85 ! 0.9016  898:1  Long   3.63, 3.76 A
assign (resid   11 and name   HN) (resid   12 and name   HN) 3.65 1.85 1.85 ! 0.9625  899:1  Seq    4.33, 4.41 A
assign (resid   23 and name   HN) (resid   24 and name   HN) 3.65 1.85 1.85 ! 0.9666  900:1  Seq    4.40, 4.44 A
assign (resid   20 and name   HN) (resid    2 and name   HN) 3.65 1.85 1.85 ! 0.0000  901:1  Long   2.91, 3.23 A
assign (resid   20 and name   HN) (resid   19 and name   HN) 3.65 1.85 1.85 ! 0.0000  902:1  Seq    4.42, 4.49 A
assign (resid   20 and name   HN) (resid   21 and name   HN) 3.65 1.85 1.85 ! 0.0000  903:1  Seq    4.56, 4.63 A
assign (resid   25 and name   HN) (resid   35 and name   HA) 3.65 1.85 1.85 ! 0.0000  904:1  Long   3.90, 4.09 A
assign (resid   25 and name   HN) (resid   23 and name   HA) 4.15 2.35 2.35 ! 0.7869  905:1  Ambig  6.13, 6.25 A
    or (resid   25 and name   HN) (resid   17 and name   HA)                ! 0.2131  905:1  -----  7.62, 7.98 A
assign (resid    5 and name   HN) (resid    5 and name  HB2) 3.65 1.85 1.85 ! 0.9779  906:1  Intra  3.61, 3.66 A
assign (resid   24 and name   HN) (resid   19 and name  HB1) 3.65 1.85 1.85 ! 0.9215  907:1  Long   4.10, 4.29 A
assign (resid    3 and name   HN) (resid  101 and name   H2) 3.65 1.85 1.85 ! 0.9528  908:1  Long   4.34, 4.60 A
assign (resid    2 and name HE21) (resid    6 and name  HA1) 3.65 1.85 1.85 ! 0.8717  910:1  Mid    2.85, 3.45 A
assign (resid   35 and name   HN) (resid    6 and name  HA1) 3.65 1.85 1.85 ! 0.5982  911:1  Ambig  4.22, 4.37 A
    or (resid   35 and name   HN) (resid    8 and name  HB2)                ! 0.4018  911:1  -----  4.50, 4.82 A
assign (resid   29 and name   HN) (resid   30 and name  HD2) 3.65 1.85 1.85 ! 0.0000  913:1  Seq    4.98, 5.05 A
assign (resid   35 and name   HN) (resid   19 and name  HB1) 3.65 1.85 1.85 ! 0.8969  914:1  Long   5.21, 5.29 A
assign (resid    2 and name   HN) (resid    2 and name  HG1) 3.65 1.85 1.85 ! 0.0000  918:1  Intra  4.31, 4.46 A
assign (resid    2 and name   HN) (resid    2 and name  HG2) 3.65 1.85 1.85 ! 0.7002  919:1  Ambig  4.57, 4.76 A
    or (resid    2 and name   HN) (resid   19 and name  HB2)                ! 0.2998  919:1  -----  5.26, 5.54 A
assign (resid   24 and name   HN) (resid   26 and name  HG2) 3.65 1.85 1.85 ! 0.5908  920:1  Ambig  4.21, 4.91 A
    or (resid   24 and name   HN) (resid   19 and name  HB2)                ! 0.4092  920:1  -----  4.47, 4.73 A
assign (resid    5 and name   HN) (resid   34 and name  HG2) 3.15 1.35 1.35 ! 0.0000  921:1  Long   3.22, 3.54 A
assign (resid    2 and name   HN) (resid   18 and name   HB) 3.65 1.85 1.85 ! 0.8501  922:1  Long   3.64, 4.02 A
assign (resid    2 and name HE21) (resid   16 and name  HG1) 3.65 1.85 1.85 ! 0.5642  925:1  Ambig  4.24, 4.75 A
    or (resid    2 and name HE21) (resid    7 and name  HB2)                ! 0.4358  925:1  -----  4.43, 4.82 A
assign (resid    6 and name   HN) (resid   34 and name  HG1) 3.65 1.85 1.85 ! 0.9833  926:1  Long   3.32, 3.65 A
assign (resid    6 and name   HN) (resid    2 and name  HG2) 3.65 1.85 1.85 ! 0.9700  927:1  Mid    4.37, 4.74 A
assign (resid   27 and name   HN) (resid   26 and name  HG1) 4.15 2.35 2.35 ! 0.8306  928:1  Seq    4.95, 5.23 A
assign (resid   31 and name   HN) (resid   32 and name  HB1) 3.65 1.85 1.85 ! 0.0000  929:1  Seq    4.50, 4.61 A
assign (resid   19 and name   HN) (resid   25 and name  HB2) 3.65 1.85 1.85 ! 0.0000  930:1  Long   3.34, 3.76 A
assign (resid   35 and name   HN) (resid    8 and name  HB1) 3.65 1.85 1.85 ! 0.9904  931:1  Long   2.77, 3.18 A
assign (resid   25 and name   HN) (resid   19 and name  HB1) 3.65 1.85 1.85 ! 0.0000  932:1  Long   4.17, 4.39 A
assign (resid    2 and name HE21) (resid   16 and name  HB2) 3.65 1.85 1.85 ! 0.6731  933:1  Ambig  2.54, 3.53 A
    or (resid    2 and name HE21) (resid    2 and name  HB2)                ! 0.3269  933:1  -----  2.86, 3.59 A
assign (resid    2 and name HE21) (resid    2 and name  HB1) 3.65 1.85 1.85 ! 0.0000  934:1  Intra  4.01, 4.34 A
assign (resid   22 and name   HN) (resid   23 and name HG2*) 3.65 1.85 1.85 ! 0.0000  935:1  Seq    4.63, 5.64 A
assign (resid   24 and name   HN) (resid   36 and name  HB*) 3.15 1.35 1.35 ! 0.0000  936:1  Long   3.93, 4.56 A
assign (resid   35 and name   HN) (resid   36 and name HD2*) 3.65 1.85 1.85 ! 0.4706  937:1  Ambig  5.04, 5.97 A
    or (resid    4 and name  HE1) (resid   36 and name HD2*)                ! 0.4007  937:1  -----  5.17, 6.15 A
assign (resid   34 and name   HN) (resid   27 and name HG1*) 3.65 1.85 1.85 ! 0.0000  941:1  Long   5.87, 6.69 A
assign (resid   14 and name   HN) (resid   13 and name  HE*) 3.65 1.85 1.85 ! 0.5903  945:1  Ambig  4.50, 5.64 A
    or (resid   17 and name   HN) (resid   13 and name  HE*)                ! 0.4097  945:1  -----  4.78, 6.76 A
assign (resid   34 and name HE21) (resid    5 and name   HN) 3.65 1.85 1.85 ! 0.0000  946:1  Long   4.31, 4.46 A
assign (resid   26 and name HE21) (resid   36 and name   HN) 3.65 1.85 1.85 ! 0.8168  948:1  Long   2.82, 2.97 A
assign (resid   26 and name HE21) (resid   24 and name   HN) 3.65 1.85 1.85 ! 0.9952  949:1  Mid    2.99, 3.26 A
assign (resid   31 and name  HD*) (resid   11 and name   HN) 3.15 1.35 1.35 ! 0.0000  950:1  Long   3.33, 4.68 A
assign (resid    7 and name HE21) (resid    8 and name   HN) 3.65 1.85 1.85 ! 0.5695  951:1  Ambig  5.13, 5.38 A
    or (resid    7 and name HE21) (resid   13 and name   HN)                ! 0.4305  951:1  -----  5.37, 5.55 A
assign (resid   32 and name  HD*) (resid   29 and name   HN) 3.15 1.35 1.35 ! 0.6181  952:1  Ambig  3.64, 5.32 A
    or (resid   32 and name  HD*) (resid   28 and name   HN)                ! 0.3345  952:1  -----  4.03, 5.59 A
assign (resid   13 and name  HD*) (resid   14 and name   HN) 3.15 1.35 1.35 ! 0.9624  953:1  Seq    3.16, 4.39 A
assign (resid   13 and name  HD*) (resid   13 and name   HN) 3.15 1.35 1.35 ! 0.6329  954:1  Ambig  4.36, 4.76 A
    or (resid   13 and name  HD*) (resid    8 and name   HN)                ! 0.3671  954:1  -----  4.77, 6.46 A
assign (resid   13 and name  HD*) (resid   10 and name   HN) 3.65 1.85 1.85 ! 0.0000  955:1  Mid    1.86, 3.76 A
assign (resid    4 and name  HD2) (resid    4 and name  HE1) 3.65 1.85 1.85 ! 0.5303  956:1  Ambig  4.21, 4.22 A
    or (resid    5 and name  HD*) (resid    4 and name  HE1)                ! 0.2285  956:1  -----  4.84, 6.30 A
    or (resid    4 and name  HD2) (resid   35 and name   HN)                ! 0.1900  956:1  -----  4.99, 5.09 A
assign (resid    4 and name  HD2) (resid    6 and name   HN) 3.15 1.35 1.35 ! 0.3764  957:1  Ambig  4.43, 4.54 A
    or (resid    4 and name  HD2) (resid    4 and name   HN)                ! 0.2250  957:1  -----  4.82, 4.88 A
    or (resid    5 and name  HD*) (resid    4 and name   HN)                ! 0.2160  957:1  -----  4.86, 6.68 A
assign (resid    5 and name  HD*) (resid   34 and name HE21) 2.65 0.85 0.85 ! 0.9921  959:1  Long   2.60, 4.41 A
assign (resid    8 and name   HN) (resid    7 and name HE21) 3.65 1.85 1.85 ! 0.5695  962:1  Ambig  5.13, 5.38 A
    or (resid   13 and name   HN) (resid    7 and name HE21)                ! 0.4305  962:1  -----  5.37, 5.55 A
assign (resid    8 and name   HN) (resid   13 and name  HE*) 3.65 1.85 1.85 ! 0.7731  963:1  Ambig  4.08, 6.10 A
    or (resid    8 and name   HN) (resid   32 and name  HE*)                ! 0.1872  963:1  -----  5.17, 6.54 A
assign (resid   29 and name HD21) (resid   32 and name  HE*) 3.65 1.85 1.85 ! 0.0000  964:1  Mid    4.36, 6.23 A
assign (resid   29 and name HD21) (resid   32 and name  HD*) 3.65 1.85 1.85 ! 0.0000  965:1  Mid    2.00, 4.41 A
assign (resid    2 and name HE22) (resid   13 and name  HE*) 3.65 1.85 1.85 ! 0.0000  966:1  Long   3.62, 4.72 A
assign (resid    7 and name HE21) (resid   32 and name  HE*) 3.65 1.85 1.85 ! 0.7716  967:1  Ambig  4.55, 6.38 A
    or (resid    7 and name HE21) (resid   13 and name  HE*)                ! 0.2284  967:1  -----  5.57, 6.35 A
assign (resid   13 and name  HD*) (resid   15 and name   HN) 3.15 1.35 1.35 ! 0.8576  968:1  Mid    3.05, 3.72 A
assign (resid    2 and name HE22) (resid    8 and name   HA) 3.65 1.85 1.85 ! 0.6296  970:1  Ambig  4.44, 4.99 A
    or (resid   18 and name   HN) (resid    8 and name   HA)                ! 0.2869  970:1  -----  5.06, 5.46 A
assign (resid   13 and name  HD*) (resid   13 and name  HE*) 2.30 0.50 0.50 ! 0.0000  971:1  Intra  2.42, 3.68 A
assign (resid   18 and name   HN) (resid   17 and name   HB) 3.65 1.85 1.85 ! 0.9122  972:1  Seq    3.22, 3.65 A
assign (resid   18 and name   HN) (resid   17 and name   HA) 3.65 1.85 1.85 ! 0.9593  973:1  Seq    3.36, 3.50 A
assign (resid   31 and name  HD*) (resid   30 and name  HD1) 3.65 1.85 1.85 ! 0.8753  975:1  Seq    4.41, 6.61 A
assign (resid    7 and name HE22) (resid   10 and name  HA2) 4.15 2.35 2.35 ! 0.9249  976:1  Mid    4.07, 5.28 A
assign (resid    7 and name HE21) (resid   10 and name  HA2) 3.65 1.85 1.85 ! 0.9784  977:1  Mid    2.93, 4.02 A
assign (resid    2 and name HE22) (resid   15 and name  HA1) 3.65 1.85 1.85 ! 0.4682  978:1  Ambig  4.65, 5.62 A
    or (resid    2 and name HE22) (resid   16 and name  HD1)                ! 0.4043  978:1  -----  4.77, 5.36 A
assign (resid   32 and name   HN) (resid   29 and name   HA) 3.65 1.85 1.85 ! 0.0000  979:1  Mid    4.26, 4.59 A
assign (resid    8 and name   HN) (resid   17 and name   HA) 3.65 1.85 1.85 ! 0.0000  981:1  Long   4.87, 5.21 A
assign (resid   29 and name HD21) (resid   30 and name  HD1) 4.15 2.35 2.35 ! 0.0000  983:1  Seq    5.21, 5.51 A
assign (resid   29 and name HD21) (resid   30 and name  HD2) 3.65 1.85 1.85 ! 0.0000  984:1  Seq    5.41, 5.49 A
assign (resid   23 and name   HN) (resid   21 and name  HB*) 3.65 1.85 1.85 ! 0.0000  985:1  Mid    5.17, 5.34 A
assign (resid   34 and name HE21) (resid   34 and name  HB2) 3.65 1.85 1.85 ! 0.9964  987:1  Intra  2.79, 3.57 A
assign (resid   34 and name HE21) (resid   34 and name  HB1) 3.65 1.85 1.85 ! 0.9693  988:1  Intra  3.87, 4.24 A
assign (resid    8 and name   HN) (resid    7 and name  HB1) 3.65 1.85 1.85 ! 0.0000  989:1  Seq    4.09, 4.22 A
assign (resid   20 and name   HN) (resid    2 and name  HB2) 3.65 1.85 1.85 ! 0.8121  990:1  Long   5.04, 5.28 A
assign (resid   29 and name HD21) (resid   28 and name HD1*) 3.65 1.85 1.85 ! 0.0000  991:1  Seq    3.76, 5.05 A
assign (resid   29 and name HD21) (resid   28 and name HD2*) 3.65 1.85 1.85 ! 0.0000  992:1  Seq    4.91, 6.07 A
assign (resid   32 and name   HN) (resid   27 and name HG1*) 3.65 1.85 1.85 ! 0.0000  993:1  Long   4.71, 5.72 A
assign (resid   18 and name   HN) (resid   17 and name HG2*) 3.65 1.85 1.85 ! 0.9042  994:1  Seq    4.47, 5.05 A
assign (resid    7 and name HE21) (resid    7 and name  HB1) 3.65 1.85 1.85 ! 0.0000  995:1  Intra  4.49, 4.52 A
assign (resid    7 and name HE21) (resid    7 and name  HB2) 3.65 1.85 1.85 ! 0.0000  996:1  Intra  4.10, 4.15 A
assign (resid   31 and name  HD*) (resid   30 and name  HG2) 3.65 1.85 1.85 ! 0.8111  997:1  Seq    3.29, 5.58 A
assign (resid    7 and name HE22) (resid   32 and name  HB1) 4.15 2.35 2.35 ! 0.0000  998:1  Long   5.96, 6.27 A
assign (resid   13 and name  HE*) (resid   17 and name   HA) 3.65 1.85 1.85 ! 0.0000  999:1  Mid    3.18, 5.62 A
assign (resid    5 and name  HE*) (resid   36 and name   HA) 3.65 1.85 1.85 ! 0.4725 1000:1  Ambig  4.41, 5.62 A
    or (resid   13 and name  HE*) (resid   16 and name   HA)                ! 0.3423 1000:1  -----  4.66, 6.29 A
assign (resid   13 and name  HE*) (resid   15 and name  HA2) 3.65 1.85 1.85 ! 0.7804 1001:1  Ambig  4.51, 5.23 A
    or (resid   32 and name  HE*) (resid    5 and name   HA)                ! 0.2196 1001:1  -----  5.57, 6.68 A
assign (resid   33 and name   HN) (resid   34 and name   HN) 3.65 1.85 1.85 ! 0.6658 1003:1  Ambig  4.25, 4.33 A
    or (resid    9 and name   HN) (resid   34 and name   HN)                ! 0.2373 1003:1  -----  5.05, 5.72 A
assign (resid    4 and name  HD2) (resid   36 and name   HN) 3.65 1.85 1.85 ! 0.8930 1004:1  Long   4.11, 4.29 A
assign (resid   26 and name HE22) (resid   36 and name   HN) 3.65 1.85 1.85 ! 0.7351 1005:1  Ambig  4.05, 4.41 A
    or (resid   26 and name HE22) (resid   26 and name   HN)                ! 0.2471 1005:1  -----  4.85, 5.45 A
assign (resid   32 and name  HE*) (resid    7 and name   HN) 3.15 1.35 1.35 ! 0.8369 1006:1  Long   3.75, 5.83 A
assign (resid    5 and name  HE*) (resid    4 and name  HE1) 3.65 1.85 1.85 ! 0.9749 1007:1  Seq    3.46, 5.12 A
assign (resid   32 and name  HE*) (resid   34 and name HE21) 3.15 1.35 1.35 ! 0.0000 1008:1  Mid    3.22, 4.79 A
assign (resid   13 and name  HE*) (resid    8 and name   HN) 3.65 1.85 1.85 ! 0.7731 1009:1  Ambig  4.08, 6.10 A
    or (resid   32 and name  HE*) (resid    8 and name   HN)                ! 0.1872 1009:1  -----  5.17, 6.54 A
assign (resid    5 and name  HE*) (resid    5 and name   HN) 3.65 1.85 1.85 ! 0.0000 1010:1  Intra  5.18, 5.74 A
assign (resid   34 and name HE22) (resid   34 and name  HB2) 3.65 1.85 1.85 ! 0.9748 1012:1  Intra  3.76, 4.19 A
assign (resid    9 and name   HN) (resid   17 and name HG2*) 3.65 1.85 1.85 ! 0.0000 1013:1  Long   3.35, 5.22 A
assign (resid   34 and name HE22) (resid   34 and name  HB1) 3.65 1.85 1.85 ! 0.9449 1014:1  Intra  4.29, 4.53 A
assign (resid    5 and name  HD*) (resid   34 and name  HB1) 3.65 1.85 1.85 ! 0.7218 1015:1  Ambig  5.29, 7.18 A
    or (resid    4 and name  HD2) (resid   34 and name  HB1)                ! 0.2017 1015:1  -----  6.55, 6.85 A
assign (resid   26 and name HE22) (resid   26 and name  HB2) 3.65 1.85 1.85 ! 0.9425 1016:1  Intra  4.33, 4.81 A
assign (resid   26 and name HE22) (resid   26 and name  HB1) 3.65 1.85 1.85 ! 0.0000 1017:1  Intra  4.52, 4.63 A
assign (resid   30 and name   HA) (resid   27 and name HG1*) 3.65 1.85 1.85 ! 0.0000 1018:1  Mid    2.92, 3.24 A
assign (resid    7 and name   HA) (resid    7 and name  HB2) 3.15 1.35 1.35 ! 0.9846 1019:1  Intra  2.44, 2.48 A
assign (resid    7 and name   HA) (resid    7 and name  HG1) 3.65 1.85 1.85 ! 0.9469 1020:1  Intra  2.56, 2.64 A
assign (resid   30 and name  HD1) (resid   27 and name HG1*) 3.65 1.85 1.85 ! 0.0000 1021:1  Mid    4.36, 5.26 A
assign (resid   27 and name   HA) (resid   28 and name   HG) 3.65 1.85 1.85 ! 0.7936 1022:1  Ambig  3.79, 3.97 A
    or (resid   27 and name   HA) (resid   28 and name  HB1)                ! 0.0755 1022:1  -----  5.61, 5.66 A
assign (resid   30 and name   HA) (resid   30 and name  HG2) 3.65 1.85 1.85 ! 0.0000 1023:1  Intra  3.83, 3.95 A
assign (resid   30 and name  HD1) (resid   30 and name  HB1) 3.65 1.85 1.85 ! 0.0000 1024:1  Intra  4.04, 4.08 A
assign (resid   18 and name   HA) (resid   19 and name  HB2) 3.65 1.85 1.85 ! 0.7440 1025:1  Ambig  4.44, 4.52 A
    or (resid    1 and name   HB) (resid   19 and name  HB2)                ! 0.1141 1025:1  -----  6.07, 7.73 A
assign (resid   31 and name   HA) (resid   31 and name  HB2) 3.65 1.85 1.85 ! 0.9619 1026:1  Intra  2.99, 3.01 A
assign (resid    9 and name  HA2) (resid   33 and name  HB2) 3.65 1.85 1.85 ! 0.5608 1027:1  Ambig  3.98, 4.23 A
    or (resid    9 and name  HA2) (resid   13 and name  HB2)                ! 0.3381 1027:1  -----  4.33, 4.93 A
assign (resid   36 and name   HA) (resid   36 and name  HB*) 3.65 1.85 1.85 ! 0.9936 1028:1  Intra  2.46, 2.76 A
assign (resid   16 and name   HA) (resid   16 and name  HB2) 3.65 1.85 1.85 ! 0.8448 1029:1  Intra  2.81, 2.85 A
assign (resid    7 and name   HA) (resid    7 and name  HB1) 3.15 1.35 1.35 ! 0.0000 1030:1  Intra  3.02, 3.03 A
assign (resid   23 and name   HB) (resid   35 and name   HA) 3.15 1.35 1.35 ! 0.0000 1031:1  Long   3.61, 3.71 A
assign (resid    5 and name   HA) (resid   34 and name HE22) 3.15 1.35 1.35 ! 0.8887 1032:1  Long   3.17, 3.37 A
assign (resid   15 and name  HA2) (resid   13 and name  HE*) 3.65 1.85 1.85 ! 0.4269 1033:1  Ambig  4.51, 5.23 A
    or (resid    5 and name   HA) (resid    5 and name  HE*)                ! 0.3538 1033:1  -----  4.66, 5.26 A
    or (resid    5 and name   HA) (resid   32 and name  HE*)                ! 0.1201 1033:1  -----  5.57, 6.68 A
assign (resid   30 and name  HD1) (resid   31 and name  HD*) 3.65 1.85 1.85 ! 0.8753 1034:1  Seq    4.41, 6.61 A
assign (resid   10 and name  HA2) (resid    7 and name HE21) 3.65 1.85 1.85 ! 0.9863 1035:1  Mid    2.93, 4.02 A
assign (resid   10 and name  HA2) (resid    7 and name HE22) 3.65 1.85 1.85 ! 0.7984 1036:1  Ambig  4.07, 5.28 A
    or (resid   10 and name  HA2) (resid   31 and name  HD*)                ! 0.1762 1036:1  -----  5.23, 6.36 A
assign (resid    1 and name   HA) (resid   18 and name   HN) 3.65 1.85 1.85 ! 0.0000 1038:1  Long   3.31, 3.76 A
assign (resid   24 and name   HB) (resid   26 and name HE21) 3.65 1.85 1.85 ! 0.0000 1039:1  Mid    2.75, 3.60 A
assign (resid   31 and name   HA) (resid   31 and name  HD*) 3.15 1.35 1.35 ! 0.9955 1040:1  Intra  2.76, 3.56 A
assign (resid    7 and name   HA) (resid   33 and name   HN) 3.65 1.85 1.85 ! 0.5626 1041:1  Ambig  3.52, 3.81 A
    or (resid    7 and name   HA) (resid    9 and name   HN)                ! 0.4200 1041:1  -----  3.69, 3.87 A
assign (resid   15 and name  HA1) (resid    2 and name HE22) 3.65 1.85 1.85 ! 0.4889 1042:1  Ambig  4.65, 5.62 A
    or (resid   16 and name  HD1) (resid    2 and name HE22)                ! 0.4222 1042:1  -----  4.77, 5.36 A
assign (resid    6 and name  HA1) (resid    2 and name HE22) 3.65 1.85 1.85 ! 0.8388 1043:1  Mid    3.12, 3.66 A
assign (resid   16 and name  HD2) (resid    2 and name HE22) 3.65 1.85 1.85 ! 0.0000 1044:1  Long   3.53, 4.41 A
assign (resid    8 and name  HB2) (resid    9 and name   HN) 3.65 1.85 1.85 ! 0.9712 1045:1  Seq    3.71, 4.19 A
assign (resid    8 and name  HB2) (resid   13 and name  HE*) 4.15 2.35 2.35 ! 0.0000 1046:1  Long   4.70, 7.32 A
assign (resid    5 and name  HB2) (resid    5 and name  HE*) 3.65 1.85 1.85 ! 0.0000 1047:1  Intra  4.62, 5.04 A
assign (resid    5 and name  HB2) (resid   34 and name HE22) 3.65 1.85 1.85 ! 0.0000 1048:1  Long   4.61, 4.73 A
assign (resid   31 and name  HB1) (resid   32 and name   HN) 3.65 1.85 1.85 ! 0.9796 1049:1  Seq    3.72, 3.87 A
assign (resid   31 and name  HB1) (resid   11 and name   HN) 3.65 1.85 1.85 ! 0.0000 1050:1  Long   3.01, 3.99 A
assign (resid   33 and name  HB1) (resid    8 and name   HN) 3.65 1.85 1.85 ! 0.0000 1051:1  Long   3.72, 3.90 A
assign (resid    8 and name  HB2) (resid    8 and name   HN) 3.65 1.85 1.85 ! 0.0000 1052:1  Intra  3.55, 3.63 A
assign (resid    1 and name   HB) (resid   20 and name   HN) 3.65 1.85 1.85 ! 0.9891 1053:1  Long   2.75, 4.30 A
assign (resid    3 and name  HB2) (resid    3 and name   HN) 3.65 1.85 1.85 ! 0.8685 1055:1  Intra  3.44, 3.55 A
assign (resid    7 and name   HA) (resid    2 and name HE21) 3.65 1.85 1.85 ! 0.0000 1056:1  Long   4.01, 4.36 A
assign (resid   12 and name  HA1) (resid   12 and name   HN) 3.65 1.85 1.85 ! 0.9659 1057:1  Intra  2.91, 2.93 A
assign (resid   27 and name   HA) (resid   34 and name   HN) 3.65 1.85 1.85 ! 0.6896 1058:1  Ambig  3.49, 3.68 A
    or (resid   27 and name   HA) (resid   26 and name   HN)                ! 0.1028 1058:1  -----  4.80, 4.91 A
    or (resid    4 and name   HA) (resid   36 and name   HN)                ! 0.0693 1058:1  -----  5.12, 5.43 A
assign (resid   19 and name  HB1) (resid   24 and name   HN) 3.65 1.85 1.85 ! 0.8992 1059:1  Long   4.10, 4.29 A
assign (resid   15 and name  HA1) (resid    2 and name HE21) 3.65 1.85 1.85 ! 0.6520 1060:1  Ambig  4.82, 5.79 A
    or (resid   16 and name  HD1) (resid    2 and name HE21)                ! 0.3480 1060:1  -----  5.35, 6.02 A
assign (resid    9 and name  HA1) (resid    8 and name   HN) 3.15 1.35 1.35 ! 0.3106 1062:1  Ambig  4.59, 4.76 A
    or (resid   10 and name  HA2) (resid   13 and name   HN)                ! 0.3016 1062:1  -----  4.61, 4.87 A
    or (resid   10 and name  HA2) (resid   32 and name   HN)                ! 0.2360 1062:1  -----  4.80, 4.94 A
assign (resid   30 and name  HD1) (resid   31 and name   HN) 3.15 1.35 1.35 ! 0.7001 1063:1  Ambig  3.86, 4.03 A
    or (resid   30 and name  HD1) (resid   29 and name   HN)                ! 0.2703 1063:1  -----  4.53, 4.64 A
assign (resid   10 and name  HA1) (resid   11 and name   HN) 3.65 1.85 1.85 ! 0.9693 1064:1  Seq    2.65, 2.75 A
assign (resid    3 and name   HA) (resid    3 and name   HN) 3.65 1.85 1.85 ! 0.5210 1065:1  Ambig  2.77, 2.83 A
    or (resid   36 and name   HA) (resid   36 and name   HN)                ! 0.4241 1065:1  -----  2.87, 2.90 A
assign (resid   24 and name   HA) (resid   24 and name   HN) 3.65 1.85 1.85 ! 0.6642 1066:1  Ambig  2.88, 2.92 A
    or (resid   36 and name   HA) (resid    5 and name   HN)                ! 0.2432 1066:1  -----  3.40, 3.54 A
assign (resid    5 and name  HB2) (resid    5 and name   HN) 3.65 1.85 1.85 ! 0.0000 1068:1  Intra  3.61, 3.66 A
assign (resid    5 and name  HB2) (resid    6 and name   HN) 3.65 1.85 1.85 ! 0.8863 1069:1  Seq    3.75, 3.90 A
assign (resid    2 and name  HG1) (resid    6 and name   HN) 3.65 1.85 1.85 ! 0.9449 1070:1  Mid    3.32, 3.48 A
assign (resid   35 and name  HB2) (resid   20 and name   HN) 3.65 1.85 1.85 ! 0.0000 1071:1  Long   4.35, 4.79 A
assign (resid    6 and name  HA1) (resid    2 and name HE21) 3.15 1.35 1.35 ! 0.9574 1072:1  Mid    2.85, 3.45 A
assign (resid    5 and name  HB1) (resid    5 and name  HE*) 3.65 1.85 1.85 ! 0.8347 1073:1  Intra  4.65, 5.05 A
assign (resid   32 and name  HB1) (resid   32 and name  HE*) 3.65 1.85 1.85 ! 0.7765 1074:1  Ambig  4.54, 5.03 A
    or (resid    2 and name  HG1) (resid   13 and name  HE*)                ! 0.2235 1074:1  -----  5.59, 7.10 A
assign (resid   32 and name  HB1) (resid   33 and name   HN) 3.65 1.85 1.85 ! 0.9046 1075:1  Seq    4.23, 4.30 A
assign (resid   31 and name  HB1) (resid   31 and name  HE*) 3.65 1.85 1.85 ! 0.0000 1076:1  Intra  4.60, 5.06 A
assign (resid   25 and name  HB2) (resid   35 and name   HA) 3.65 1.85 1.85 ! 0.0000 1077:1  Long   3.92, 4.13 A
assign (resid    2 and name  HG1) (resid    8 and name   HA) 3.65 1.85 1.85 ! 0.7555 1079:1  Ambig  3.81, 4.04 A
    or (resid   32 and name  HB1) (resid   33 and name   HA)                ! 0.2445 1079:1  -----  4.60, 4.75 A
assign (resid   14 and name  HB2) (resid   15 and name   HN) 3.65 1.85 1.85 ! 0.0000 1080:1  Seq    3.68, 4.21 A
assign (resid   35 and name  HB1) (resid   19 and name  HB2) 3.65 1.85 1.85 ! 0.8542 1081:1  Long   3.49, 3.59 A
assign (resid    8 and name  HB1) (resid    2 and name  HG2) 3.15 1.35 1.35 ! 0.9328 1082:1  Long   2.53, 3.03 A
assign (resid    8 and name  HB1) (resid    2 and name  HB1) 3.65 1.85 1.85 ! 0.8829 1083:1  Long   3.01, 3.45 A
assign (resid    8 and name  HB1) (resid    2 and name  HB2) 3.65 1.85 1.85 ! 0.7760 1084:1  Ambig  3.75, 4.27 A
    or (resid    8 and name  HB1) (resid   16 and name  HB2)                ! 0.1016 1084:1  -----  5.26, 6.03 A
assign (resid    4 and name  HB2) (resid   20 and name  HB*) 3.65 1.85 1.85 ! 0.6316 1085:1  Ambig  4.28, 5.47 A
    or (resid   35 and name  HB1) (resid   20 and name  HB*)                ! 0.1976 1085:1  -----  5.19, 6.37 A
assign (resid   35 and name  HB2) (resid    2 and name  HG2) 3.15 1.35 1.35 ! 0.5199 1086:1  Ambig  4.71, 4.92 A
    or (resid   35 and name  HB2) (resid   19 and name  HB2)                ! 0.3459 1086:1  -----  5.04, 5.08 A
assign (resid   29 and name  HB*) (resid   30 and name  HG2) 3.65 1.85 1.85 ! 0.0000 1087:1  Seq    4.37, 5.18 A
assign (resid   29 and name  HB*) (resid   30 and name  HB2) 3.65 1.85 1.85 ! 0.0000 1088:1  Seq    4.68, 5.43 A
assign (resid   31 and name  HB1) (resid   11 and name   HB) 3.65 1.85 1.85 ! 0.0000 1089:1  Long   3.45, 4.07 A
assign (resid    8 and name  HB2) (resid   17 and name HG2*) 3.65 1.85 1.85 ! 0.0000 1090:1  Long   4.31, 5.52 A
assign (resid   29 and name  HB*) (resid   27 and name HG1*) 3.65 1.85 1.85 ! 0.0000 1091:1  Mid    5.26, 6.18 A
assign (resid    8 and name  HB2) (resid    2 and name  HB2) 3.65 1.85 1.85 ! 0.5795 1092:1  Ambig  4.09, 4.65 A
    or (resid    6 and name  HA1) (resid    2 and name  HB2)                ! 0.1668 1092:1  -----  5.03, 5.34 A
    or (resid    6 and name  HA1) (resid   16 and name  HB2)                ! 0.1155 1092:1  -----  5.35, 5.91 A
assign (resid    8 and name  HB2) (resid    2 and name  HB1) 3.65 1.85 1.85 ! 0.7835 1093:1  Ambig  3.69, 4.16 A
    or (resid    6 and name  HA1) (resid    2 and name  HB1)                ! 0.1913 1093:1  -----  4.66, 5.03 A
assign (resid   30 and name  HG1) (resid   30 and name  HB2) 2.65 0.85 0.85 ! 0.9071 1094:1  Intra  2.99, 3.01 A
assign (resid   34 and name  HB1) (resid   36 and name   HG) 3.15 1.35 1.35 ! 0.9752 1095:1  Mid    2.75, 3.13 A
assign (resid   18 and name   HB) (resid    1 and name HG2*) 3.15 1.35 1.35 ! 0.0000 1096:1  Long   3.36, 4.49 A
assign (resid   34 and name  HG2) (resid   36 and name   HG) 3.15 1.35 1.35 ! 0.9939 1097:1  Mid    2.07, 2.33 A
assign (resid   30 and name  HB2) (resid   30 and name  HG2) 2.65 0.85 0.85 ! 0.0000 1098:1  Intra  2.33, 2.36 A
assign (resid   16 and name  HB2) (resid   16 and name  HD2) 3.15 1.35 1.35 ! 0.0000 1099:1  Intra  3.78, 4.00 A
assign (resid   28 and name  HB2) (resid   29 and name  HB*) 3.15 1.35 1.35 ! 0.7379 1100:1  Ambig  3.89, 4.83 A
    or (resid   30 and name  HG1) (resid   29 and name  HB*)                ! 0.2621 1100:1  -----  4.62, 5.34 A
assign (resid    2 and name  HB1) (resid    8 and name  HB1) 3.15 1.35 1.35 ! 0.9040 1101:1  Long   3.01, 3.45 A
assign (resid   28 and name  HB1) (resid   29 and name  HB*) 3.65 1.85 1.85 ! 0.8676 1102:1  Seq    4.36, 5.34 A
assign (resid   30 and name  HG2) (resid   29 and name  HB*) 3.15 1.35 1.35 ! 0.0000 1103:1  Seq    4.37, 5.18 A
assign (resid   36 and name  HB*) (resid   35 and name   HA) 3.65 1.85 1.85 ! 0.8650 1104:1  Seq    4.34, 4.99 A
assign (resid   28 and name HD1*) (resid   33 and name   HA) 3.65 1.85 1.85 ! 0.0000 1105:1  Long   3.97, 5.06 A
assign (resid   27 and name HG2*) (resid   33 and name   HA) 3.15 1.35 1.35 ! 0.7092 1106:1  Ambig  3.88, 4.97 A
    or (resid   28 and name HD2*) (resid   33 and name   HA)                ! 0.2582 1106:1  -----  4.59, 5.80 A
assign (resid   11 and name   HB) (resid   31 and name   HA) 2.65 0.85 0.85 ! 0.0000 1107:1  Long   2.84, 3.01 A
assign (resid   11 and name HG12) (resid   11 and name   HA) 2.65 0.85 0.85 ! 0.9838 1108:1  Intra  2.50, 2.56 A
assign (resid   27 and name HG2*) (resid   33 and name  HB1) 3.15 1.35 1.35 ! 0.9923 1109:1  Long   2.71, 3.90 A
assign (resid   30 and name  HB2) (resid   30 and name  HD2) 3.15 1.35 1.35 ! 0.0000 1110:1  Intra  2.79, 2.94 A
assign (resid   11 and name   HB) (resid   11 and name   HA) 3.15 1.35 1.35 ! 0.9313 1111:1  Intra  3.03, 3.04 A
assign (resid   17 and name HG2*) (resid    9 and name  HA1) 3.65 1.85 1.85 ! 0.9654 1112:1  Long   2.29, 3.94 A
assign (resid   17 and name HG2*) (resid   15 and name  HA1) 3.65 1.85 1.85 ! 0.4061 1113:1  Ambig  4.18, 5.63 A
    or (resid   20 and name  HB*) (resid   19 and name  HB1)                ! 0.3147 1113:1  -----  4.36, 5.36 A
    or (resid   17 and name HG2*) (resid   14 and name  HB1)                ! 0.1791 1113:1  -----  4.79, 6.43 A
assign (resid   17 and name HG2*) (resid    8 and name  HB2) 3.65 1.85 1.85 ! 0.7549 1114:1  Ambig  4.31, 5.52 A
    or (resid   17 and name HG2*) (resid   16 and name  HD2)                ! 0.2451 1114:1  -----  5.20, 6.56 A
assign (resid   36 and name   HG) (resid   35 and name  HB2) 3.65 1.85 1.85 ! 0.4740 1115:1  Ambig  5.11, 5.30 A
    or (resid   20 and name  HB*) (resid   35 and name  HB2)                ! 0.3724 1115:1  -----  5.32, 6.51 A
assign (resid   36 and name  HB*) (resid   26 and name  HG1) 3.15 1.35 1.35 ! 0.9995 1116:1  Long   1.91, 3.45 A
assign (resid   36 and name   HG) (resid   26 and name  HG1) 3.65 1.85 1.85 ! 0.0000 1117:1  Long   3.02, 3.85 A
assign (resid    2 and name  HG2) (resid    8 and name   HA) 3.65 1.85 1.85 ! 0.9826 1118:1  Long   2.15, 2.43 A
assign (resid   26 and name  HG2) (resid   35 and name   HA) 3.65 1.85 1.85 ! 0.8767 1119:1  Long   3.08, 4.61 A
assign (resid   16 and name  HB2) (resid   13 and name  HE*) 3.65 1.85 1.85 ! 0.4334 1120:1  Ambig  3.77, 5.63 A
    or (resid   28 and name   HG) (resid   32 and name  HE*)                ! 0.3124 1120:1  -----  3.98, 5.91 A
    or (resid   28 and name  HB1) (resid   32 and name  HE*)                ! 0.2542 1120:1  -----  4.12, 6.36 A
assign (resid   28 and name  HB2) (resid   29 and name HD22) 3.65 1.85 1.85 ! 0.9476 1121:1  Seq    2.86, 3.43 A
assign (resid    2 and name  HB1) (resid   18 and name   HN) 3.65 1.85 1.85 ! 0.7911 1122:1  Ambig  4.07, 4.71 A
    or (resid    2 and name  HB1) (resid    2 and name HE22)                ! 0.2089 1122:1  -----  5.08, 5.27 A
assign (resid   34 and name  HB1) (resid   34 and name HE21) 3.65 1.85 1.85 ! 0.0000 1123:1  Intra  3.87, 4.24 A
assign (resid   28 and name  HB2) (resid   29 and name HD21) 3.65 1.85 1.85 ! 0.9907 1124:1  Seq    2.11, 2.70 A
assign (resid    2 and name  HB1) (resid   20 and name   HN) 3.65 1.85 1.85 ! 0.0000 1125:1  Long   3.65, 3.91 A
assign (resid   16 and name  HB2) (resid   17 and name   HN) 3.65 1.85 1.85 ! 0.5180 1126:1  Ambig  3.52, 3.75 A
    or (resid    2 and name  HB2) (resid   17 and name   HN)                ! 0.4820 1126:1  -----  3.56, 3.79 A
assign (resid   16 and name  HB2) (resid    2 and name HE21) 3.65 1.85 1.85 ! 0.6731 1127:1  Ambig  2.54, 3.53 A
    or (resid    2 and name  HB2) (resid    2 and name HE21)                ! 0.3269 1127:1  -----  2.86, 3.59 A
assign (resid    2 and name  HB2) (resid    3 and name   HN) 3.15 1.35 1.35 ! 0.5304 1128:1  Ambig  3.90, 4.10 A
    or (resid   16 and name  HB2) (resid    3 and name   HN)                ! 0.3937 1128:1  -----  4.10, 4.47 A
assign (resid    2 and name  HG2) (resid    2 and name   HN) 3.65 1.85 1.85 ! 0.7002 1129:1  Ambig  4.57, 4.76 A
    or (resid   19 and name  HB2) (resid    2 and name   HN)                ! 0.2998 1129:1  -----  5.26, 5.54 A
assign (resid   36 and name  HB*) (resid   24 and name   HN) 3.65 1.85 1.85 ! 0.8961 1130:1  Long   3.93, 4.56 A
assign (resid   34 and name  HB2) (resid   35 and name   HN) 3.65 1.85 1.85 ! 0.8131 1131:1  Seq    3.96, 4.17 A
assign (resid   34 and name  HB2) (resid   34 and name HE21) 3.65 1.85 1.85 ! 0.9964 1132:1  Intra  2.79, 3.57 A
assign (resid    7 and name  HG2) (resid    8 and name   HN) 2.65 0.85 0.85 ! 0.9898 1133:1  Seq    2.85, 3.23 A
assign (resid   36 and name HD2*) (resid    5 and name   HN) 3.15 1.35 1.35 ! 0.9766 1134:1  Long   3.22, 4.47 A
assign (resid   28 and name HD1*) (resid   34 and name   HN) 3.65 1.85 1.85 ! 0.8660 1135:1  Long   3.82, 4.47 A
assign (resid   28 and name HD1*) (resid   28 and name   HN) 3.15 1.35 1.35 ! 0.7209 1136:1  Ambig  3.77, 4.48 A
    or (resid   28 and name HD1*) (resid   29 and name   HN)                ! 0.2615 1136:1  -----  4.46, 5.49 A
assign (resid   34 and name  HB2) (resid   32 and name  HD*) 3.65 1.85 1.85 ! 0.0000 1137:1  Mid    3.81, 4.70 A
assign (resid   23 and name HG2*) (resid   36 and name   HN) 3.65 1.85 1.85 ! 0.8354 1138:1  Long   5.06, 5.68 A
assign (resid   23 and name HG2*) (resid    4 and name  HE1) 3.65 1.85 1.85 ! 0.9589 1139:1  Long   3.70, 4.74 A
assign (resid   27 and name HG1*) (resid   32 and name   HN) 3.65 1.85 1.85 ! 0.0000 1140:1  Long   4.71, 5.72 A
assign (resid   36 and name HD1*) (resid    5 and name  HE*) 3.15 1.35 1.35 ! 0.5603 1141:1  Ambig  4.89, 7.21 A
    or (resid   28 and name HD2*) (resid   32 and name  HE*)                ! 0.4397 1141:1  -----  5.09, 7.43 A
assign (resid   23 and name HG2*) (resid   35 and name   HA) 3.65 1.85 1.85 ! 0.0000 1142:1  Long   5.65, 6.14 A
assign (resid   11 and name HD1*) (resid   31 and name   HA) 3.65 1.85 1.85 ! 0.0000 1143:1  Long   3.08, 4.89 A
assign (resid   11 and name HD1*) (resid   30 and name   HA) 3.65 1.85 1.85 ! 0.0000 1144:1  Long   4.03, 4.81 A
assign (resid   23 and name HG2*) (resid   22 and name  HA1) 3.65 1.85 1.85 ! 0.0000 1145:1  Seq    3.54, 4.57 A
assign (resid   27 and name HG1*) (resid   28 and name   HA) 3.65 1.85 1.85 ! 0.0000 1146:1  Seq    4.14, 5.35 A
assign (resid   27 and name HG1*) (resid   32 and name   HA) 3.65 1.85 1.85 ! 0.6030 1147:1  Ambig  5.88, 7.06 A
    or (resid   27 and name HG1*) (resid   26 and name   HA)                ! 0.3970 1147:1  -----  6.30, 6.52 A
assign (resid   11 and name HG2*) (resid   12 and name  HA1) 2.65 0.85 0.85 ! 0.9418 1148:1  Seq    3.48, 4.62 A
assign (resid   36 and name HD1*) (resid   36 and name   HA) 3.15 1.35 1.35 ! 0.0000 1149:1  Intra  4.45, 4.66 A
assign (resid   28 and name HD1*) (resid   28 and name   HA) 3.15 1.35 1.35 ! 0.0000 1150:1  Intra  4.34, 4.68 A
assign (resid   27 and name HG2*) (resid   30 and name   HA) 3.65 1.85 1.85 ! 0.8518 1151:1  Mid    5.07, 5.62 A
assign (resid   36 and name HD1*) (resid   26 and name  HG1) 3.15 1.35 1.35 ! 0.9783 1152:1  Long   1.92, 3.98 A
assign (resid   36 and name HD1*) (resid   36 and name   HG) 2.30 0.50 0.50 ! 0.9593 1154:1  Intra  2.36, 2.62 A
assign (resid   36 and name HD2*) (resid   36 and name   HG) 2.30 0.50 0.50 ! 0.0000 1155:1  Intra  2.41, 2.63 A
assign (resid   11 and name HG2*) (resid   11 and name   HB) 2.30 0.50 0.50 ! 0.0000 1156:1  Intra  2.40, 2.63 A
assign (resid   23 and name HG2*) (resid   20 and name  HB*) 3.15 1.35 1.35 ! 0.9882 1157:1  Mid    3.22, 5.09 A
assign (resid   36 and name   HG) (resid   36 and name  HB*) 2.30 0.50 0.50 ! 0.9612 1159:1  Intra  2.50, 2.77 A
assign (resid   36 and name   HG) (resid   36 and name HD1*) 2.30 0.50 0.50 ! 0.5152 1160:1  Ambig  2.36, 2.62 A
    or (resid   36 and name   HG) (resid   36 and name HD2*)                ! 0.4630 1160:1  -----  2.41, 2.63 A
assign (resid   11 and name   HB) (resid   11 and name HD1*) 2.65 0.85 0.85 ! 0.0000 1162:1  Intra  2.54, 3.16 A
assign (resid   27 and name HG1*) (resid   29 and name  HB*) 3.65 1.85 1.85 ! 0.0000 1164:1  Mid    5.26, 6.18 A
assign (resid   23 and name HG2*) (resid   19 and name  HB1) 3.65 1.85 1.85 ! 0.5995 1165:1  Ambig  4.36, 4.87 A
    or (resid   23 and name HG2*) (resid   22 and name  HA2)                ! 0.4005 1165:1  -----  4.66, 5.62 A
assign (resid   11 and name   HB) (resid   31 and name  HE*) 3.15 1.35 1.35 ! 0.0000 1168:1  Long   2.72, 4.11 A
assign (resid   30 and name  HB2) (resid   31 and name  HD*) 3.65 1.85 1.85 ! 0.0000 1169:1  Seq    2.22, 4.07 A
assign (resid    1 and name HG2*) (resid   20 and name   HN) 3.65 1.85 1.85 ! 0.0000 1170:1  Long   2.47, 3.85 A
assign (resid   30 and name  HB2) (resid   31 and name   HN) 3.65 1.85 1.85 ! 0.9713 1171:1  Seq    2.69, 2.86 A
assign (resid   36 and name   HG) (resid    5 and name   HN) 3.65 1.85 1.85 ! 0.7863 1172:1  Ambig  4.28, 4.58 A
    or (resid   36 and name   HG) (resid   24 and name   HN)                ! 0.2137 1172:1  -----  5.31, 5.58 A
assign (resid    8 and name   HA) (resid   13 and name  HE*) 3.65 1.85 1.85 ! 0.8737 1174:1  Long   2.44, 5.05 A
assign (resid   31 and name  HE*) (resid   31 and name   HA) 3.65 1.85 1.85 ! 0.0000 1176:1  Intra  4.82, 5.34 A
assign (resid   31 and name  HE*) (resid   31 and name   HN) 3.65 1.85 1.85 ! 0.9025 1179:1  Intra  4.33, 5.36 A
assign (resid    1 and name   HA) (resid   20 and name   HN) 3.65 1.85 1.85 ! 0.0000 1180:1  Long   4.52, 4.58 A
assign (resid    1 and name   HA) (resid   17 and name   HN) 3.65 1.85 1.85 ! 0.8990 1181:1  Long   4.24, 4.72 A
assign (resid    1 and name HG2*) (resid   18 and name HG1*) 2.30 0.50 0.50 ! 0.9253 1182:1  Long   2.83, 4.88 A
assign (resid    2 and name   HN) (resid   18 and name   HN) 3.65 1.85 1.85 ! 0.9713 1183:1  Long   3.45, 4.08 A
assign (resid    2 and name HE22) (resid    7 and name   HN) 3.15 1.35 1.35 ! 0.8767 1184:1  Long   3.06, 3.57 A
assign (resid    2 and name HE22) (resid    6 and name  HA2) 3.65 1.85 1.85 ! 0.9342 1185:1  Mid    3.87, 4.45 A
assign (resid   18 and name   HN) (resid    2 and name  HB1) 3.65 1.85 1.85 ! 0.7911 1186:1  Ambig  4.07, 4.71 A
    or (resid    2 and name HE22) (resid    2 and name  HB1)                ! 0.2089 1186:1  -----  5.08, 5.27 A
assign (resid   26 and name  HG1) (resid   26 and name  HB2) 2.65 0.85 0.85 ! 0.9983 1187:1  Intra  2.25, 2.32 A
assign (resid   16 and name  HB1) (resid   16 and name  HD1) 3.15 1.35 1.35 ! 0.9736 1188:1  Intra  2.93, 3.09 A
assign (resid    2 and name  HB1) (resid    8 and name  HB2) 3.65 1.85 1.85 ! 0.7835 1189:1  Ambig  3.69, 4.16 A
    or (resid    2 and name  HB1) (resid    6 and name  HA1)                ! 0.1913 1189:1  -----  4.66, 5.03 A
assign (resid    2 and name  HB2) (resid    1 and name   HA) 3.65 1.85 1.85 ! 0.5138 1190:1  Ambig  4.13, 4.34 A
    or (resid   16 and name  HB2) (resid    1 and name   HA)                ! 0.4862 1190:1  -----  4.17, 4.96 A
assign (resid    2 and name  HB1) (resid   19 and name   HA) 2.65 0.85 0.85 ! 0.9853 1191:1  Long   2.30, 2.49 A
assign (resid   12 and name   HN) (resid   11 and name HD1*) 3.65 1.85 1.85 ! 0.0000 1192:1  Seq    5.84, 6.45 A
assign (resid   34 and name   HN) (resid   28 and name HD1*) 2.65 0.85 0.85 ! 0.4555 1193:1  Ambig  3.82, 4.47 A
    or (resid   36 and name   HN) (resid   36 and name HD2*)                ! 0.2797 1193:1  -----  4.14, 4.90 A
    or (resid   12 and name   HN) (resid   11 and name HG12)                ! 0.1921 1193:1  -----  4.41, 4.56 A
assign (resid   34 and name   HN) (resid   34 and name  HB1) 2.30 0.50 0.50 ! 0.8536 1194:1  Intra  2.55, 2.66 A
assign (resid    3 and name   HN) (resid    2 and name HE22) 3.65 1.85 1.85 ! 0.9749 1195:1  Seq    3.98, 4.37 A
assign (resid    4 and name   HN) (resid    5 and name   HN) 3.65 1.85 1.85 ! 0.0000 1196:1  Seq    4.50, 4.52 A
assign (resid    4 and name   HN) (resid    3 and name   HN) 3.65 1.85 1.85 ! 0.0000 1197:1  Seq    4.43, 4.53 A
assign (resid   25 and name   HN) (resid   24 and name   HN) 3.65 1.85 1.85 ! 0.0000 1198:1  Seq    4.31, 4.37 A
assign (resid    4 and name  HD2) (resid    4 and name   HA) 2.30 0.50 0.50 ! 0.5926 1200:1  Ambig  2.26, 2.34 A
    or (resid    5 and name  HD*) (resid    5 and name   HA)                ! 0.3520 1200:1  -----  2.46, 3.49 A
assign (resid    5 and name  HD*) (resid   34 and name  HG1) 3.65 1.85 1.85 ! 0.7647 1201:1  Ambig  4.04, 5.48 A
    or (resid    4 and name  HD2) (resid   34 and name  HG1)                ! 0.2353 1201:1  -----  4.91, 5.47 A
assign (resid    6 and name   HN) (resid   36 and name HD2*) 3.65 1.85 1.85 ! 0.0000 1202:1  Long   5.32, 6.48 A
assign (resid    6 and name   HN) (resid   35 and name  HB1) 3.65 1.85 1.85 ! 0.6931 1203:1  Ambig  4.73, 4.95 A
    or (resid    6 and name   HN) (resid    4 and name  HB2)                ! 0.3069 1203:1  -----  5.42, 5.53 A
assign (resid    6 and name   HN) (resid    3 and name   HN) 3.65 1.85 1.85 ! 0.8456 1204:1  Mid    4.27, 4.60 A
assign (resid    7 and name   HN) (resid    7 and name  HG2) 3.65 1.85 1.85 ! 0.0000 1205:1  Intra  4.38, 4.46 A
assign (resid   13 and name   HN) (resid   31 and name  HD*) 3.65 1.85 1.85 ! 0.5505 1206:1  Ambig  4.79, 7.24 A
    or (resid   13 and name   HN) (resid    7 and name HE22)                ! 0.3559 1206:1  -----  5.15, 5.38 A
assign (resid    8 and name   HN) (resid    7 and name   HN) 3.15 1.35 1.35 ! 0.9362 1207:1  Seq    4.36, 4.47 A
assign (resid    8 and name   HA) (resid    8 and name   HN) 3.65 1.85 1.85 ! 0.9692 1208:1  Intra  2.92, 2.94 A
assign (resid   33 and name   HN) (resid    7 and name  HB2) 3.15 1.35 1.35 ! 0.6364 1209:1  Ambig  4.25, 4.44 A
    or (resid    9 and name   HN) (resid    7 and name  HB2)                ! 0.3367 1209:1  -----  4.73, 4.97 A
assign (resid   33 and name   HN) (resid    7 and name HE21) 2.65 0.85 0.85 ! 0.9352 1210:1  Long   2.62, 2.91 A
assign (resid   29 and name   HN) (resid   28 and name HD2*) 3.15 1.35 1.35 ! 0.5204 1211:1  Ambig  4.90, 5.65 A
    or (resid   29 and name   HN) (resid   27 and name HG2*)                ! 0.3834 1211:1  -----  5.15, 6.03 A
assign (resid   10 and name   HN) (resid    7 and name  HG2) 3.65 1.85 1.85 ! 0.7741 1212:1  Ambig  2.92, 3.09 A
    or (resid   28 and name   HN) (resid   28 and name HD1*)                ! 0.1658 1212:1  -----  3.77, 4.48 A
assign (resid   28 and name   HN) (resid   28 and name   HG) 2.65 0.85 0.85 ! 0.9350 1213:1  Intra  2.22, 2.42 A
assign (resid   29 and name   HN) (resid   28 and name  HB2) 2.65 0.85 0.85 ! 0.9815 1214:1  Seq    2.26, 2.60 A
assign (resid   10 and name   HN) (resid   10 and name  HA1) 2.65 0.85 0.85 ! 0.9929 1215:1  Intra  2.34, 2.37 A
assign (resid   11 and name   HN) (resid   11 and name HG2*) 3.15 1.35 1.35 ! 0.8854 1216:1  Intra  4.35, 4.53 A
assign (resid   17 and name   HN) (resid   17 and name HG2*) 2.65 0.85 0.85 ! 0.9570 1217:1  Intra  3.00, 3.96 A
assign (resid   11 and name   HA) (resid   11 and name HG12) 2.65 0.85 0.85 ! 0.0000 1218:1  Intra  2.50, 2.56 A
assign (resid   14 and name  HB2) (resid   14 and name   HN) 2.65 0.85 0.85 ! 0.6764 1219:1  Ambig  2.44, 3.35 A
    or (resid   11 and name   HA) (resid   11 and name   HN)                ! 0.3225 1219:1  -----  2.76, 2.80 A
assign (resid   11 and name HG2*) (resid   11 and name HD1*) 2.30 0.50 0.50 ! 0.0000 1220:1  Intra  2.00, 3.65 A
assign (resid   28 and name HD1*) (resid   34 and name  HB1) 2.65 0.85 0.85 ! 0.6562 1223:1  Ambig  2.14, 2.96 A
    or (resid   28 and name HD1*) (resid   28 and name  HB2)                ! 0.3205 1223:1  -----  2.41, 3.03 A
assign (resid   28 and name HD2*) (resid   28 and name   HG) 2.30 0.50 0.50 ! 0.4845 1224:1  Ambig  2.41, 2.62 A
    or (resid   28 and name HD2*) (resid   28 and name  HB1)                ! 0.4802 1224:1  -----  2.41, 3.07 A
assign (resid   11 and name   HB) (resid   11 and name HG11) 2.65 0.85 0.85 ! 0.0000 1225:1  Intra  2.46, 2.48 A
assign (resid   11 and name HG11) (resid   11 and name   HB) 2.65 0.85 0.85 ! 0.0000 1226:1  Intra  2.46, 2.48 A
assign (resid   36 and name  HB*) (resid   36 and name   HG) 2.30 0.50 0.50 ! 0.9612 1227:1  Intra  2.50, 2.77 A
assign (resid   11 and name   HB) (resid   11 and name HG2*) 2.30 0.50 0.50 ! 0.0000 1228:1  Intra  2.40, 2.63 A
assign (resid   11 and name HD1*) (resid   11 and name HG12) 2.30 0.50 0.50 ! 0.0000 1229:1  Intra  2.40, 2.62 A
assign (resid   11 and name HG12) (resid   11 and name HD1*) 2.65 0.85 0.85 ! 0.0000 1230:1  Intra  2.40, 2.62 A
assign (resid   36 and name HD1*) (resid   36 and name  HB*) 2.30 0.50 0.50 ! 0.9404 1232:1  Intra  2.37, 3.08 A
assign (resid   27 and name HG2*) (resid   26 and name   HA) 3.15 1.35 1.35 ! 0.8439 1233:1  Seq    3.48, 4.70 A
assign (resid    7 and name  HG2) (resid    7 and name   HA) 3.15 1.35 1.35 ! 0.7598 1234:1  Ambig  3.04, 3.15 A
    or (resid    7 and name  HG2) (resid   10 and name  HA1)                ! 0.2402 1234:1  -----  3.69, 4.22 A
assign (resid   12 and name   HN) (resid   11 and name   HN) 3.65 1.85 1.85 ! 0.8022 1237:1  Seq    4.33, 4.41 A
assign (resid   36 and name   HN) (resid   35 and name   HN) 3.65 1.85 1.85 ! 0.4851 1238:1  Ambig  4.25, 4.32 A
    or (resid   34 and name   HN) (resid   35 and name   HN)                ! 0.4345 1238:1  -----  4.33, 4.39 A
assign (resid   13 and name  HD*) (resid    7 and name  HG2) 3.65 1.85 1.85 ! 0.0000 1239:1  Long   2.87, 3.97 A
assign (resid   13 and name  HD*) (resid    7 and name HE21) 3.15 1.35 1.35 ! 0.0000 1240:1  Long   4.31, 5.07 A
assign (resid   14 and name   HN) (resid   14 and name  HB1) 3.15 1.35 1.35 ! 0.8448 1241:1  Intra  2.93, 3.19 A
assign (resid   19 and name  HB1) (resid   35 and name   HA) 3.65 1.85 1.85 ! 0.0000 1242:1  Long   3.74, 3.86 A
assign (resid   33 and name   HA) (resid   33 and name  HB1) 3.65 1.85 1.85 ! 0.9470 1243:1  Intra  2.42, 2.44 A
assign (resid   17 and name   HN) (resid   18 and name HG2*) 3.15 1.35 1.35 ! 0.9736 1244:1  Seq    3.37, 4.74 A
assign (resid   17 and name HG2*) (resid    9 and name  HA2) 3.15 1.35 1.35 ! 0.9881 1245:1  Long   2.25, 3.41 A
assign (resid   17 and name HG2*) (resid   18 and name   HN) 3.65 1.85 1.85 ! 0.9042 1246:1  Seq    4.47, 5.05 A
assign (resid   18 and name HG1*) (resid    1 and name   HA) 3.15 1.35 1.35 ! 0.8002 1247:1  Long   3.53, 4.51 A
assign (resid   26 and name  HG2) (resid   26 and name  HB1) 2.30 0.50 0.50 ! 0.6385 1248:1  Ambig  2.36, 2.66 A
    or (resid   30 and name  HB1) (resid   30 and name  HG2)                ! 0.3365 1248:1  -----  2.63, 2.68 A
assign (resid   20 and name  HB*) (resid   23 and name HG2*) 3.15 1.35 1.35 ! 0.9882 1249:1  Mid    3.22, 5.09 A
assign (resid   23 and name   HB) (resid   35 and name  HB2) 3.15 1.35 1.35 ! 0.0000 1250:1  Long   3.06, 3.12 A
assign (resid   23 and name   HB) (resid   23 and name   HN) 3.65 1.85 1.85 ! 0.0000 1251:1  Intra  3.73, 3.78 A
assign (resid    3 and name   HA) (resid    3 and name  HB1) 3.65 1.85 1.85 ! 0.5761 1252:1  Ambig  2.39, 2.45 A
    or (resid   24 and name   HA) (resid   24 and name   HB)                ! 0.4082 1252:1  -----  2.53, 2.58 A
assign (resid   25 and name  HB2) (resid   19 and name  HB2) 3.65 1.85 1.85 ! 0.8913 1253:1  Long   3.60, 3.78 A
assign (resid   36 and name   HN) (resid   36 and name HD1*) 3.15 1.35 1.35 ! 0.3682 1254:1  Ambig  4.22, 4.93 A
    or (resid   26 and name   HN) (resid   36 and name HD1*)                ! 0.3247 1254:1  -----  4.31, 5.42 A
    or (resid   26 and name   HN) (resid   28 and name HD2*)                ! 0.1592 1254:1  -----  4.86, 6.15 A
assign (resid   26 and name HE21) (resid   24 and name   HB) 3.65 1.85 1.85 ! 0.0000 1256:1  Mid    2.75, 3.60 A
assign (resid   31 and name  HD*) (resid   11 and name   HA) 3.65 1.85 1.85 ! 0.7294 1257:1  Ambig  4.44, 6.23 A
    or (resid   31 and name  HD*) (resid   10 and name  HA2)                ! 0.2706 1257:1  -----  5.23, 6.36 A
assign (resid   26 and name HE21) (resid   26 and name   HA) 3.15 1.35 1.35 ! 0.3838 1258:1  Ambig  4.25, 4.83 A
    or (resid   26 and name HE21) (resid   25 and name   HA)                ! 0.3347 1258:1  -----  4.34, 5.03 A
    or (resid   29 and name HD22) (resid   32 and name   HA)                ! 0.2468 1258:1  -----  4.57, 5.40 A
assign (resid   26 and name HE21) (resid   24 and name   HA) 3.65 1.85 1.85 ! 0.5222 1259:1  Ambig  4.26, 4.80 A
    or (resid   26 and name HE21) (resid   36 and name   HA)                ! 0.4778 1259:1  -----  4.32, 4.70 A
assign (resid   26 and name HE22) (resid   24 and name HG2*) 3.65 1.85 1.85 ! 0.0000 1260:1  Mid    4.10, 5.58 A
assign (resid   26 and name  HB2) (resid   26 and name  HG1) 2.65 0.85 0.85 ! 0.9992 1261:1  Intra  2.25, 2.32 A
assign (resid   26 and name  HB1) (resid   26 and name  HG1) 2.65 0.85 0.85 ! 0.9852 1262:1  Intra  2.44, 2.72 A
assign (resid   26 and name  HB1) (resid   26 and name  HG2) 2.30 0.50 0.50 ! 0.5181 1263:1  Ambig  2.36, 2.66 A
    or (resid    7 and name  HB2) (resid    7 and name  HG1)                ! 0.4783 1263:1  -----  2.39, 2.44 A
assign (resid   36 and name HD1*) (resid   26 and name HE21) 3.15 1.35 1.35 ! 0.8485 1264:1  Long   3.63, 4.99 A
assign (resid   36 and name HD2*) (resid   34 and name HE21) 3.15 1.35 1.35 ! 0.0000 1266:1  Mid    3.81, 4.89 A
assign (resid   28 and name HD2*) (resid   32 and name  HD*) 3.15 1.35 1.35 ! 0.0000 1267:1  Mid    5.09, 7.37 A
assign (resid   28 and name HD2*) (resid   29 and name HD21) 3.65 1.85 1.85 ! 0.0000 1268:1  Seq    4.91, 6.07 A
assign (resid   32 and name   HN) (resid   29 and name  HB*) 3.65 1.85 1.85 ! 0.0000 1269:1  Mid    1.80, 3.39 A
assign (resid   32 and name   HN) (resid   30 and name   HA) 3.65 1.85 1.85 ! 0.0000 1270:1  Mid    4.44, 4.67 A
assign (resid   34 and name HE21) (resid   34 and name  HG2) 3.15 1.35 1.35 ! 0.9723 1271:1  Intra  2.98, 3.15 A
assign (resid   34 and name HE21) (resid    5 and name  HD*) 3.15 1.35 1.35 ! 0.9921 1272:1  Long   2.60, 4.41 A
assign (resid   35 and name   HN) (resid   34 and name  HG1) 2.65 0.85 0.85 ! 0.0000 1273:1  Seq    2.82, 3.05 A
assign (resid   36 and name HD2*) (resid   36 and name  HB*) 2.30 0.50 0.50 ! 0.9806 1275:1  Intra  2.39, 3.45 A
assign (resid   36 and name   HG) (resid   34 and name  HG2) 2.65 0.85 0.85 ! 0.9912 1276:1  Mid    2.07, 2.33 A
assign (resid   36 and name HD2*) (resid    5 and name  HB1) 3.65 1.85 1.85 ! 0.6501 1277:1  Ambig  4.58, 5.30 A
    or (resid   36 and name HD2*) (resid   35 and name  HB2)                ! 0.3499 1277:1  -----  5.08, 6.30 A
assign (resid   36 and name  HB*) (resid   26 and name HE21) 3.65 1.85 1.85 ! 0.9992 1278:1  Long   1.99, 3.11 A
assign (resid   35 and name   HN) (resid   35 and name  HB2) 2.65 0.85 0.85 ! 0.9916 1280:1  Intra  2.64, 2.69 A
assign (resid   28 and name HD2*) (resid   26 and name  HB1) 2.65 0.85 0.85 ! 0.5955 1281:1  Ambig  2.91, 4.15 A
    or (resid   36 and name HD1*) (resid   26 and name  HB1)                ! 0.2438 1281:1  -----  3.38, 4.62 A
assign (resid   28 and name HD1*) (resid   28 and name   HG) 2.65 0.85 0.85 ! 0.5501 1282:1  Ambig  2.36, 2.61 A
    or (resid   28 and name HD1*) (resid   28 and name  HB1)                ! 0.4477 1282:1  -----  2.45, 3.12 A
assign (resid   24 and name   HB) (resid   25 and name   HN) 3.15 1.35 1.35 ! 0.8672 1283:1  Seq    2.62, 2.95 A
assign (resid   24 and name   HN) (resid   36 and name   HN) 3.15 1.35 1.35 ! 0.9851    0:2  Long   2.50, 2.64 A
assign (resid   33 and name   HA) (resid   34 and name   HN) 2.30 0.50 0.50 ! 0.9850    1:2  Seq    2.20, 2.27 A
assign (resid   35 and name   HA) (resid   36 and name   HN) 2.30 0.50 0.50 ! 0.8948    2:2  Seq    2.03, 2.05 A
assign (resid   23 and name   HA) (resid   24 and name   HN) 2.65 0.85 0.85 ! 0.9979    3:2  Seq    2.22, 2.29 A
assign (resid   25 and name   HA) (resid   26 and name   HN) 2.30 0.50 0.50 ! 0.8029    4:2  Seq    2.11, 2.16 A
assign (resid   24 and name   HA) (resid   24 and name   HN) 3.15 1.35 1.35 ! 0.6642    5:2  Ambig  2.88, 2.92 A
    or (resid   36 and name   HA) (resid    5 and name   HN)                ! 0.2432    5:2  -----  3.40, 3.54 A
assign (resid    3 and name   HA) (resid    3 and name   HN) 2.65 0.85 0.85 ! 0.5210    6:2  Ambig  2.77, 2.83 A
    or (resid   36 and name   HA) (resid   36 and name   HN)                ! 0.4241    6:2  -----  2.87, 2.90 A
assign (resid   27 and name   HA) (resid   34 and name   HN) 3.15 1.35 1.35 ! 0.8529    7:2  Long   3.49, 3.68 A
assign (resid   23 and name   HB) (resid   24 and name   HN) 2.65 0.85 0.85 ! 0.9425    8:2  Seq    2.69, 2.79 A
assign (resid   12 and name  HA2) (resid   12 and name   HN) 3.15 1.35 1.35 ! 0.8877    9:2  Intra  2.36, 2.38 A
assign (resid   33 and name  HB1) (resid   34 and name   HN) 2.65 0.85 0.85 ! 0.0000   10:2  Seq    2.99, 3.17 A
assign (resid   35 and name  HB2) (resid   36 and name   HN) 3.15 1.35 1.35 ! 0.7265   11:2  Ambig  4.00, 4.07 A
    or (resid   35 and name  HB2) (resid    3 and name   HN)                ! 0.1667   11:2  -----  5.11, 5.48 A
assign (resid   33 and name  HB2) (resid   34 and name   HN) 3.15 1.35 1.35 ! 0.7020   12:2  Ambig  3.90, 4.03 A
    or (resid   13 and name  HB2) (resid   12 and name   HN)                ! 0.1764   12:2  -----  4.92, 5.19 A
assign (resid   26 and name  HG1) (resid   26 and name   HN) 3.15 1.35 1.35 ! 0.7206   13:2  Ambig  2.38, 2.97 A
    or (resid   26 and name  HG1) (resid   36 and name   HN)                ! 0.2695   13:2  -----  2.80, 3.31 A
assign (resid   26 and name  HB2) (resid   26 and name   HN) 2.65 0.85 0.85 ! 0.7336   14:2  Ambig  2.50, 2.58 A
    or (resid   26 and name  HB2) (resid   34 and name   HN)                ! 0.1880   14:2  -----  3.14, 3.48 A
assign (resid   26 and name  HB1) (resid   26 and name   HN) 2.65 0.85 0.85 ! 0.6784   15:2  Ambig  3.58, 3.64 A
    or (resid   26 and name  HB1) (resid   34 and name   HN)                ! 0.1456   15:2  -----  4.63, 4.84 A
assign (resid   36 and name  HB*) (resid   36 and name   HN) 2.65 0.85 0.85 ! 0.7548   16:2  Ambig  2.44, 3.13 A
    or (resid   34 and name  HB2) (resid   34 and name   HN)                ! 0.2024   16:2  -----  3.04, 3.22 A
assign (resid   36 and name   HG) (resid   36 and name   HN) 3.15 1.35 1.35 ! 0.7458   17:2  Ambig  2.97, 3.11 A
    or (resid   36 and name   HG) (resid   26 and name   HN)                ! 0.1336   17:2  -----  3.96, 4.26 A
assign (resid   28 and name HD1*) (resid   34 and name   HN) 3.15 1.35 1.35 ! 0.5264   18:2  Ambig  3.82, 4.47 A
    or (resid   36 and name HD2*) (resid   36 and name   HN)                ! 0.3233   18:2  -----  4.14, 4.90 A
assign (resid   28 and name HD2*) (resid   34 and name   HN) 3.15 1.35 1.35 ! 0.3641   19:2  Ambig  3.87, 5.22 A
    or (resid   36 and name HD1*) (resid   36 and name   HN)                ! 0.2154   19:2  -----  4.22, 4.93 A
    or (resid   36 and name HD1*) (resid   26 and name   HN)                ! 0.1900   19:2  -----  4.31, 5.42 A
    or (resid   36 and name HD1*) (resid   34 and name   HN)                ! 0.1160   19:2  -----  4.68, 5.61 A
assign (resid   32 and name   HN) (resid   31 and name   HN) 2.65 0.85 0.85 ! 0.9396   20:2  Seq    2.07, 2.16 A
assign (resid   31 and name  HD*) (resid   31 and name   HN) 3.15 1.35 1.35 ! 0.9970   21:2  Intra  2.07, 3.59 A
assign (resid   33 and name   HA) (resid   28 and name   HN) 2.65 0.85 0.85 ! 0.9435   22:2  Long   2.09, 2.29 A
assign (resid   29 and name   HA) (resid   29 and name   HN) 2.65 0.85 0.85 ! 0.9524   23:2  Intra  2.79, 2.86 A
assign (resid   35 and name   HA) (resid   35 and name   HN) 3.15 1.35 1.35 ! 0.0000   24:2  Intra  2.82, 2.84 A
assign (resid   28 and name   HA) (resid   28 and name   HN) 3.15 1.35 1.35 ! 0.7111   25:2  Ambig  2.84, 2.89 A
    or (resid   28 and name   HA) (resid   29 and name   HN)                ! 0.2476   25:2  -----  3.39, 3.48 A
assign (resid   27 and name   HA) (resid   28 and name   HN) 2.30 0.50 0.50 ! 0.8411   26:2  Seq    2.06, 2.11 A
assign (resid   29 and name  HB*) (resid   29 and name   HN) 3.15 1.35 1.35 ! 0.9677   27:2  Intra  2.63, 3.49 A
assign (resid   35 and name  HB2) (resid   35 and name   HN) 3.15 1.35 1.35 ! 0.9980   28:2  Intra  2.64, 2.69 A
assign (resid   35 and name  HB1) (resid   35 and name   HN) 3.15 1.35 1.35 ! 0.9902   29:2  Intra  3.53, 3.54 A
assign (resid   34 and name  HG1) (resid   35 and name   HN) 3.15 1.35 1.35 ! 0.0000   30:2  Seq    2.82, 3.05 A
assign (resid   28 and name  HB2) (resid   29 and name   HN) 2.65 0.85 0.85 ! 0.4227   31:2  Ambig  2.26, 2.60 A
    or (resid   28 and name  HB2) (resid   28 and name   HN)                ! 0.2815   31:2  -----  2.41, 2.46 A
    or (resid   27 and name   HB) (resid   27 and name   HN)                ! 0.2800   31:2  -----  2.42, 2.49 A
assign (resid   28 and name   HG) (resid   28 and name   HN) 2.65 0.85 0.85 ! 0.8509   32:2  Intra  2.22, 2.42 A
assign (resid   34 and name  HG2) (resid   35 and name   HN) 3.15 1.35 1.35 ! 0.0000   33:2  Seq    2.86, 3.11 A
assign (resid   27 and name HG2*) (resid   27 and name   HN) 3.15 1.35 1.35 ! 0.8907   34:2  Intra  2.18, 3.17 A
assign (resid   27 and name HG1*) (resid   29 and name   HN) 2.65 0.85 0.85 ! 0.7016   35:2  Ambig  2.89, 3.88 A
    or (resid   27 and name HG1*) (resid   28 and name   HN)                ! 0.2364   35:2  -----  3.46, 4.11 A
assign (resid   31 and name   HN) (resid   32 and name   HN) 3.15 1.35 1.35 ! 0.0000   36:2  Seq    2.07, 2.16 A
assign (resid   29 and name   HN) (resid   32 and name   HN) 3.15 1.35 1.35 ! 0.9786   37:2  Mid    3.33, 3.52 A
assign (resid    9 and name   HN) (resid    8 and name   HN) 3.15 1.35 1.35 ! 0.9562   38:2  Seq    2.10, 2.46 A
assign (resid   32 and name   HA) (resid   32 and name   HN) 3.15 1.35 1.35 ! 0.0000   39:2  Intra  2.88, 2.89 A
assign (resid    7 and name   HA) (resid    8 and name   HN) 2.65 0.85 0.85 ! 0.0000   40:2  Seq    2.08, 2.14 A
assign (resid   31 and name   HA) (resid   32 and name   HN) 3.15 1.35 1.35 ! 0.0000   41:2  Seq    3.47, 3.54 A
assign (resid   32 and name  HB2) (resid   32 and name   HN) 3.15 1.35 1.35 ! 0.9890   42:2  Intra  2.75, 2.85 A
assign (resid   31 and name  HB2) (resid   32 and name   HN) 3.65 1.85 1.85 ! 0.9969   43:2  Seq    2.77, 2.87 A
assign (resid   32 and name  HB1) (resid   32 and name   HN) 3.15 1.35 1.35 ! 0.0000   44:2  Intra  2.55, 2.61 A
assign (resid   32 and name  HD*) (resid   29 and name HD22) 2.65 0.85 0.85 ! 0.0000   45:2  Mid    2.82, 4.28 A
assign (resid   31 and name  HE*) (resid   31 and name  HD*) 2.30 0.50 0.50 ! 0.0000   47:2  Intra  2.42, 3.68 A
assign (resid   13 and name  HE*) (resid   13 and name  HD*) 2.65 0.85 0.85 ! 0.0000   49:2  Intra  2.42, 3.68 A
assign (resid   13 and name   HA) (resid   13 and name  HD*) 2.65 0.85 0.85 ! 0.0000   50:2  Intra  2.56, 3.55 A
assign (resid   31 and name   HA) (resid   31 and name  HD*) 2.65 0.85 0.85 ! 0.9646   51:2  Intra  2.76, 3.56 A
assign (resid    7 and name   HA) (resid   32 and name  HD*) 3.65 1.85 1.85 ! 0.0000   52:2  Long   4.16, 5.54 A
assign (resid    9 and name  HA2) (resid   13 and name  HD*) 2.65 0.85 0.85 ! 0.0000   53:2  Mid    1.93, 4.20 A
assign (resid    9 and name  HA1) (resid   13 and name  HD*) 3.15 1.35 1.35 ! 0.8730   54:2  Mid    3.45, 5.82 A
assign (resid   31 and name  HB1) (resid   31 and name  HD*) 2.65 0.85 0.85 ! 0.9575   55:2  Intra  2.31, 3.05 A
assign (resid   31 and name  HB2) (resid   31 and name  HD*) 2.30 0.50 0.50 ! 0.9238   57:2  Intra  2.35, 3.05 A
assign (resid   13 and name  HB1) (resid   13 and name  HD*) 2.65 0.85 0.85 ! 0.0000   58:2  Intra  2.25, 3.02 A
assign (resid   13 and name  HB2) (resid   13 and name  HD*) 2.65 0.85 0.85 ! 0.9823   59:2  Intra  2.42, 3.06 A
assign (resid   11 and name   HB) (resid   31 and name  HD*) 3.15 1.35 1.35 ! 0.9985   60:2  Long   2.12, 3.68 A
assign (resid   17 and name HG2*) (resid   13 and name  HD*) 3.15 1.35 1.35 ! 0.0000   61:2  Mid    2.76, 5.73 A
assign (resid    4 and name  HE1) (resid    4 and name  HD2) 3.65 1.85 1.85 ! 0.6989   62:2  Ambig  4.21, 4.22 A
    or (resid    4 and name  HE1) (resid    5 and name  HD*)                ! 0.3011   62:2  -----  4.84, 6.30 A
assign (resid    4 and name  HE1) (resid    5 and name  HE*) 3.65 1.85 1.85 ! 0.0000   63:2  Seq    3.46, 5.12 A
assign (resid   31 and name  HD*) (resid   31 and name  HE*) 2.30 0.50 0.50 ! 0.9904   65:2  Intra  2.42, 3.68 A
assign (resid   13 and name  HD*) (resid   13 and name  HE*) 2.30 0.50 0.50 ! 0.0000   66:2  Intra  2.42, 3.68 A
assign (resid   32 and name  HD*) (resid   32 and name  HE*) 2.30 0.50 0.50 ! 0.0000   67:2  Intra  2.43, 3.68 A
assign (resid    5 and name  HD*) (resid    5 and name  HE*) 2.30 0.50 0.50 ! 0.9584   68:2  Intra  2.45, 3.68 A
assign (resid   32 and name  HE*) (resid   32 and name  HD*) 2.30 0.50 0.50 ! 0.0000   69:2  Intra  2.43, 3.68 A
assign (resid    5 and name  HE*) (resid    5 and name  HD*) 2.30 0.50 0.50 ! 0.9584   70:2  Intra  2.45, 3.68 A
assign (resid    8 and name   HA) (resid   13 and name  HE*) 3.15 1.35 1.35 ! 0.8737   71:2  Long   2.44, 5.05 A
assign (resid   33 and name   HA) (resid   33 and name   HN) 3.15 1.35 1.35 ! 0.9426   72:2  Intra  2.91, 2.93 A
assign (resid   32 and name   HA) (resid   32 and name  HD*) 2.65 0.85 0.85 ! 0.0000   73:2  Intra  2.28, 3.42 A
assign (resid   32 and name   HA) (resid   33 and name   HN) 2.30 0.50 0.50 ! 0.9957   74:2  Seq    2.07, 2.10 A
assign (resid   36 and name   HA) (resid    4 and name  HD2) 2.65 0.85 0.85 ! 0.9779   75:2  Long   2.02, 2.23 A
assign (resid    7 and name   HA) (resid   33 and name   HN) 3.15 1.35 1.35 ! 0.5626   76:2  Ambig  3.52, 3.81 A
    or (resid    7 and name   HA) (resid    9 and name   HN)                ! 0.4200   76:2  -----  3.69, 3.87 A
assign (resid    7 and name   HA) (resid   32 and name  HE*) 3.15 1.35 1.35 ! 0.9372   77:2  Long   3.15, 4.89 A
assign (resid    4 and name   HA) (resid    4 and name  HD2) 2.30 0.50 0.50 ! 0.4261   78:2  Ambig  2.26, 2.34 A
    or (resid   24 and name   HB) (resid   26 and name HE22)                ! 0.2810   78:2  -----  2.42, 4.20 A
    or (resid    5 and name   HA) (resid    5 and name  HD*)                ! 0.2531   78:2  -----  2.46, 3.49 A
assign (resid    9 and name  HA1) (resid    9 and name   HN) 3.15 1.35 1.35 ! 0.7599   79:2  Ambig  2.65, 2.86 A
    or (resid   10 and name  HA2) (resid   33 and name   HN)                ! 0.1836   79:2  -----  3.36, 3.99 A
assign (resid   33 and name  HB1) (resid    9 and name   HN) 3.15 1.35 1.35 ! 0.6230   80:2  Ambig  3.40, 4.05 A
    or (resid   33 and name  HB1) (resid   33 and name   HN)                ! 0.3705   80:2  -----  3.71, 3.76 A
assign (resid    5 and name  HB2) (resid    5 and name  HD*) 2.65 0.85 0.85 ! 0.9855   81:2  Intra  2.32, 3.03 A
assign (resid   32 and name  HB2) (resid   32 and name  HD*) 2.65 0.85 0.85 ! 0.9939   82:2  Intra  2.50, 3.06 A
assign (resid    4 and name  HB1) (resid    5 and name  HD*) 3.15 1.35 1.35 ! 0.8812   83:2  Seq    2.61, 4.71 A
assign (resid    4 and name  HB2) (resid    4 and name  HD2) 3.15 1.35 1.35 ! 0.6867   85:2  Ambig  3.62, 3.67 A
    or (resid    4 and name  HB2) (resid    5 and name  HD*)                ! 0.2887   85:2  -----  4.18, 6.10 A
assign (resid    5 and name  HB1) (resid    5 and name  HD*) 2.65 0.85 0.85 ! 0.8858   86:2  Intra  2.36, 3.05 A
assign (resid   33 and name  HB2) (resid    9 and name   HN) 2.65 0.85 0.85 ! 0.8618   87:2  Long   1.88, 2.46 A
assign (resid   13 and name  HB2) (resid   13 and name  HE*) 3.15 1.35 1.35 ! 0.2909   88:2  Ambig  4.66, 5.04 A
    or (resid   32 and name  HB2) (resid   32 and name  HE*)                ! 0.2788   88:2  -----  4.69, 5.04 A
    or (resid    8 and name  HB1) (resid   13 and name  HE*)                ! 0.2615   88:2  -----  4.74, 7.22 A
assign (resid   32 and name  HB1) (resid   32 and name  HD*) 2.65 0.85 0.85 ! 0.0000   89:2  Intra  2.22, 3.01 A
assign (resid    7 and name  HG1) (resid   33 and name   HN) 3.15 1.35 1.35 ! 0.9001   90:2  Long   2.10, 2.24 A
assign (resid   28 and name  HB1) (resid   32 and name  HD*) 3.15 1.35 1.35 ! 0.7083   91:2  Ambig  3.09, 5.48 A
    or (resid   28 and name   HG) (resid   32 and name  HD*)                ! 0.2917   91:2  -----  3.58, 5.61 A
assign (resid   28 and name  HB2) (resid   32 and name  HD*) 2.65 0.85 0.85 ! 0.0000   92:2  Mid    2.11, 4.19 A
assign (resid    7 and name  HB2) (resid   32 and name  HE*) 2.65 0.85 0.85 ! 0.9903   93:2  Long   2.07, 4.45 A
assign (resid   34 and name  HB1) (resid   32 and name  HE*) 3.15 1.35 1.35 ! 0.5344   94:2  Ambig  3.53, 4.73 A
    or (resid   28 and name  HB2) (resid   32 and name  HE*)                ! 0.4656   94:2  -----  3.61, 5.42 A
assign (resid    7 and name  HB1) (resid   13 and name  HE*) 3.15 1.35 1.35 ! 0.6140   95:2  Ambig  3.53, 4.04 A
    or (resid    7 and name  HB1) (resid   32 and name  HE*)                ! 0.3860   95:2  -----  3.82, 6.15 A
assign (resid   34 and name  HB2) (resid   32 and name  HE*) 2.65 0.85 0.85 ! 0.9774   96:2  Mid    2.47, 3.59 A
assign (resid   17 and name HG2*) (resid   13 and name  HE*) 3.15 1.35 1.35 ! 0.0000   97:2  Mid    2.78, 5.86 A
assign (resid   28 and name HD1*) (resid   32 and name  HD*) 2.65 0.85 0.85 ! 0.0000   98:2  Mid    2.04, 4.96 A
assign (resid   36 and name HD2*) (resid    5 and name  HD*) 2.65 0.85 0.85 ! 0.6606   99:2  Ambig  2.49, 4.61 A
    or (resid   36 and name HD2*) (resid    4 and name  HD2)                ! 0.3314   99:2  -----  2.79, 4.16 A
assign (resid   11 and name HG2*) (resid   31 and name  HE*) 3.15 1.35 1.35 ! 0.9870  100:2  Long   2.80, 5.10 A
assign (resid   28 and name HD1*) (resid   32 and name  HE*) 2.65 0.85 0.85 ! 0.8513  101:2  Mid    1.96, 4.54 A
assign (resid   23 and name HG2*) (resid    4 and name  HD2) 3.15 1.35 1.35 ! 0.9734  102:2  Long   3.00, 3.73 A
assign (resid   11 and name HD1*) (resid   31 and name  HE*) 3.15 1.35 1.35 ! 0.0000  103:2  Long   2.90, 4.98 A
assign (resid   34 and name   HN) (resid   33 and name   HA) 2.65 0.85 0.85 ! 0.9790  104:2  Seq    2.20, 2.27 A
assign (resid   36 and name   HN) (resid   35 and name   HA) 2.30 0.50 0.50 ! 0.8948  105:2  Seq    2.03, 2.05 A
assign (resid   28 and name   HN) (resid   33 and name   HA) 2.65 0.85 0.85 ! 0.9911  106:2  Long   2.09, 2.29 A
assign (resid   35 and name   HN) (resid   35 and name   HA) 3.15 1.35 1.35 ! 0.0000  107:2  Intra  2.82, 2.84 A
assign (resid   29 and name   HN) (resid   29 and name   HA) 3.15 1.35 1.35 ! 0.0000  108:2  Intra  2.79, 2.86 A
assign (resid   33 and name   HN) (resid   33 and name   HA) 3.15 1.35 1.35 ! 0.5919  109:2  Ambig  2.91, 2.93 A
    or (resid    9 and name   HN) (resid    8 and name   HA)                ! 0.3574  109:2  -----  3.17, 3.30 A
assign (resid   13 and name  HE*) (resid    8 and name   HA) 3.15 1.35 1.35 ! 0.8737  110:2  Long   2.44, 5.05 A
assign (resid   25 and name   HA) (resid   35 and name   HA) 2.65 0.85 0.85 ! 0.9947  111:2  Long   2.06, 2.23 A
assign (resid   27 and name   HA) (resid   33 and name   HA) 2.65 0.85 0.85 ! 0.0000  112:2  Long   2.15, 2.32 A
assign (resid   30 and name  HD1) (resid   29 and name   HA) 2.30 0.50 0.50 ! 0.0000  113:2  Seq    2.06, 2.19 A
assign (resid   33 and name  HB1) (resid   33 and name   HA) 2.65 0.85 0.85 ! 0.9470  114:2  Intra  2.42, 2.44 A
assign (resid   30 and name  HD2) (resid   29 and name   HA) 2.65 0.85 0.85 ! 0.0000  115:2  Seq    3.12, 3.28 A
assign (resid    8 and name  HB2) (resid    8 and name   HA) 2.65 0.85 0.85 ! 0.9978  116:2  Intra  2.40, 2.45 A
assign (resid   29 and name  HB*) (resid   29 and name   HA) 2.30 0.50 0.50 ! 0.0000  117:2  Intra  2.43, 2.62 A
assign (resid   33 and name  HB2) (resid   33 and name   HA) 3.15 1.35 1.35 ! 0.9373  118:2  Intra  3.02, 3.06 A
assign (resid    8 and name  HB1) (resid    8 and name   HA) 2.65 0.85 0.85 ! 0.9809  119:2  Intra  2.31, 2.35 A
assign (resid   35 and name  HB2) (resid   35 and name   HA) 2.65 0.85 0.85 ! 0.0000  120:2  Intra  3.00, 3.01 A
assign (resid   35 and name  HB1) (resid   35 and name   HA) 2.65 0.85 0.85 ! 0.0000  121:2  Intra  2.22, 2.25 A
assign (resid   27 and name HG1*) (resid   29 and name   HA) 3.15 1.35 1.35 ! 0.0000  122:2  Mid    3.33, 4.53 A
assign (resid   24 and name   HN) (resid   23 and name   HA) 2.65 0.85 0.85 ! 0.0000  123:2  Seq    2.22, 2.29 A
assign (resid   24 and name   HN) (resid   24 and name   HA) 3.15 1.35 1.35 ! 0.8881  124:2  Intra  2.88, 2.92 A
assign (resid   36 and name   HN) (resid   23 and name   HA) 3.15 1.35 1.35 ! 0.7484  125:2  Ambig  4.17, 4.35 A
    or (resid   34 and name   HN) (resid   28 and name   HA)                ! 0.1541  125:2  -----  5.42, 5.68 A
assign (resid   26 and name   HN) (resid   25 and name   HA) 2.30 0.50 0.50 ! 0.8029  126:2  Seq    2.11, 2.16 A
assign (resid    3 and name   HN) (resid    3 and name   HA) 3.15 1.35 1.35 ! 0.5176  127:2  Ambig  2.77, 2.83 A
    or (resid   36 and name   HN) (resid   36 and name   HA)                ! 0.4214  127:2  -----  2.87, 2.90 A
assign (resid   28 and name   HN) (resid   28 and name   HA) 2.65 0.85 0.85 ! 0.7122  128:2  Ambig  2.84, 2.89 A
    or (resid   29 and name   HN) (resid   28 and name   HA)                ! 0.2480  128:2  -----  3.39, 3.48 A
assign (resid   35 and name   HN) (resid    7 and name   HA) 3.65 1.85 1.85 ! 0.7832  129:2  Ambig  3.86, 3.99 A
    or (resid   35 and name   HN) (resid    6 and name  HA2)                ! 0.2168  129:2  -----  4.78, 4.89 A
assign (resid   23 and name   HN) (resid   23 and name   HA) 3.65 1.85 1.85 ! 0.0000  130:2  Intra  2.93, 2.94 A
assign (resid    8 and name   HN) (resid    7 and name   HA) 2.65 0.85 0.85 ! 0.9603  131:2  Seq    2.08, 2.14 A
assign (resid   32 and name   HN) (resid   32 and name   HA) 3.15 1.35 1.35 ! 0.0000  132:2  Intra  2.88, 2.89 A
assign (resid   32 and name   HN) (resid   31 and name   HA) 3.15 1.35 1.35 ! 0.0000  133:2  Seq    3.47, 3.54 A
assign (resid   31 and name  HD*) (resid   31 and name   HA) 2.65 0.85 0.85 ! 0.9688  135:2  Intra  2.76, 3.56 A
assign (resid   13 and name  HD*) (resid   13 and name   HA) 2.65 0.85 0.85 ! 0.9856  136:2  Intra  2.56, 3.55 A
assign (resid   32 and name  HD*) (resid   32 and name   HA) 2.65 0.85 0.85 ! 0.0000  137:2  Intra  2.28, 3.42 A
assign (resid   33 and name   HN) (resid   32 and name   HA) 2.30 0.50 0.50 ! 0.9884  138:2  Seq    2.07, 2.10 A
assign (resid    4 and name  HD2) (resid   36 and name   HA) 2.65 0.85 0.85 ! 0.9887  139:2  Long   2.02, 2.23 A
assign (resid    9 and name   HN) (resid    9 and name  HA2) 3.15 1.35 1.35 ! 0.7578  140:2  Ambig  2.63, 2.71 A
    or (resid   33 and name   HN) (resid    7 and name   HA)                ! 0.1322  140:2  -----  3.52, 3.81 A
assign (resid   13 and name  HD*) (resid    9 and name  HA2) 2.65 0.85 0.85 ! 0.0000  141:2  Mid    1.93, 4.20 A
assign (resid   32 and name  HE*) (resid    7 and name   HA) 3.15 1.35 1.35 ! 0.8846  142:2  Long   3.15, 4.89 A
assign (resid   15 and name   HN) (resid   13 and name   HA) 3.65 1.85 1.85 ! 0.6711  143:2  Ambig  3.32, 3.52 A
    or (resid    8 and name   HA) (resid   17 and name   HB)                ! 0.2413  143:2  -----  3.93, 4.85 A
assign (resid   35 and name   HA) (resid   25 and name   HA) 2.65 0.85 0.85 ! 0.9947  144:2  Long   2.06, 2.23 A
assign (resid    3 and name  HB2) (resid    3 and name   HA) 2.30 0.50 0.50 ! 0.8811  145:2  Intra  2.35, 2.44 A
assign (resid    3 and name  HB1) (resid    3 and name   HA) 2.30 0.50 0.50 ! 0.5853  146:2  Ambig  2.39, 2.45 A
    or (resid   24 and name   HB) (resid   24 and name   HA)                ! 0.4147  146:2  -----  2.53, 2.58 A
assign (resid   21 and name  HB*) (resid   21 and name   HA) 2.30 0.50 0.50 ! 0.9820  148:2  Intra  2.37, 2.70 A
assign (resid   23 and name   HB) (resid   23 and name   HA) 2.65 0.85 0.85 ! 0.0000  149:2  Intra  2.41, 2.44 A
assign (resid   19 and name  HB1) (resid   19 and name   HA) 2.65 0.85 0.85 ! 0.9752  150:2  Intra  2.42, 2.46 A
assign (resid  101 and name   H5) (resid  101 and name   H1) 2.65 0.85 0.85 ! 0.9981  151:2  Intra  2.09, 2.27 A
assign (resid   14 and name  HB1) (resid   14 and name   HA) 2.65 0.85 0.85 ! 0.8852  152:2  Intra  2.29, 2.36 A
assign (resid  101 and name   H3) (resid  101 and name   H1) 2.65 0.85 0.85 ! 0.9940  153:2  Intra  2.28, 2.39 A
assign (resid   14 and name  HB2) (resid   14 and name   HA) 2.65 0.85 0.85 ! 0.9630  154:2  Intra  2.51, 2.63 A
assign (resid   33 and name  HB1) (resid    7 and name   HA) 3.65 1.85 1.85 ! 0.0000  160:2  Long   5.28, 5.40 A
assign (resid   25 and name  HB2) (resid   25 and name   HA) 2.65 0.85 0.85 ! 0.9758  161:2  Intra  2.38, 2.44 A
assign (resid    6 and name  HA1) (resid  101 and name   H1) 3.65 1.85 1.85 ! 0.9082  162:2  Long   2.51, 3.62 A
assign (resid  101 and name   H2) (resid  101 and name   H1) 3.15 1.35 1.35 ! 0.9831  163:2  Intra  3.02, 3.05 A
assign (resid   31 and name  HB1) (resid   31 and name   HA) 2.65 0.85 0.85 ! 0.0000  164:2  Intra  2.35, 2.44 A
assign (resid  101 and name   H2) (resid    3 and name  HB2) 3.15 1.35 1.35 ! 0.0000  166:2  Long   4.15, 4.45 A
assign (resid   13 and name  HB1) (resid   13 and name   HA) 2.65 0.85 0.85 ! 0.9938  167:2  Intra  3.01, 3.02 A
assign (resid   25 and name  HB1) (resid   25 and name   HA) 2.65 0.85 0.85 ! 0.9122  168:2  Intra  3.02, 3.03 A
assign (resid   13 and name  HB2) (resid   13 and name   HA) 2.30 0.50 0.50 ! 0.4609  169:2  Ambig  2.38, 2.46 A
    or (resid   32 and name  HB2) (resid   32 and name   HA)                ! 0.4304  169:2  -----  2.41, 2.46 A
assign (resid   35 and name  HB2) (resid   19 and name   HA) 3.15 1.35 1.35 ! 0.6226  170:2  Ambig  4.12, 4.38 A
    or (resid   35 and name  HB2) (resid   25 and name   HA)                ! 0.2626  170:2  -----  4.76, 4.90 A
assign (resid    4 and name  HB2) (resid    3 and name   HA) 3.65 1.85 1.85 ! 0.4972  171:2  Ambig  4.38, 4.46 A
    or (resid   25 and name  HB1) (resid   24 and name   HA)                ! 0.3797  171:2  -----  4.59, 4.67 A
assign (resid   31 and name  HB2) (resid   31 and name   HA) 2.65 0.85 0.85 ! 0.9619  172:2  Intra  2.99, 3.01 A
assign (resid   33 and name  HB2) (resid    9 and name  HA2) 3.15 1.35 1.35 ! 0.4221  173:2  Ambig  3.98, 4.23 A
    or (resid   33 and name  HB2) (resid    7 and name   HA)                ! 0.2843  173:2  -----  4.25, 4.47 A
    or (resid   13 and name  HB2) (resid    9 and name  HA2)                ! 0.2545  173:2  -----  4.33, 4.93 A
assign (resid   32 and name  HB1) (resid   32 and name   HA) 3.15 1.35 1.35 ! 0.0000  174:2  Intra  2.98, 3.00 A
assign (resid   26 and name  HG1) (resid   26 and name   HA) 3.15 1.35 1.35 ! 0.7180  175:2  Ambig  3.04, 3.47 A
    or (resid   26 and name  HG1) (resid   25 and name   HA)                ! 0.2820  175:2  -----  3.55, 4.40 A
assign (resid   26 and name  HG2) (resid   26 and name   HA) 2.65 0.85 0.85 ! 0.6809  176:2  Ambig  2.39, 2.84 A
    or (resid   19 and name  HB2) (resid   19 and name   HA)                ! 0.1753  176:2  -----  3.00, 3.02 A
assign (resid   19 and name  HB2) (resid   24 and name   HA) 2.65 0.85 0.85 ! 0.8997  177:2  Long   2.65, 2.98 A
assign (resid   16 and name  HB1) (resid   16 and name   HA) 2.65 0.85 0.85 ! 0.9989  178:2  Intra  2.26, 2.28 A
assign (resid   34 and name  HG1) (resid    7 and name   HA) 3.15 1.35 1.35 ! 0.0000  179:2  Long   3.57, 4.03 A
assign (resid    7 and name  HG1) (resid    7 and name   HA) 2.65 0.85 0.85 ! 0.8418  180:2  Intra  2.56, 2.64 A
assign (resid   30 and name  HB1) (resid   30 and name   HA) 2.65 0.85 0.85 ! 0.9935  181:2  Intra  2.26, 2.27 A
assign (resid   28 and name  HB2) (resid   28 and name   HA) 2.65 0.85 0.85 ! 0.9502  182:2  Intra  3.01, 3.02 A
assign (resid   28 and name  HB1) (resid   28 and name   HA) 2.65 0.85 0.85 ! 0.7850  183:2  Ambig  2.41, 2.46 A
    or (resid   28 and name   HG) (resid   28 and name   HA)                ! 0.1938  183:2  -----  3.04, 3.13 A
assign (resid   26 and name  HB1) (resid   26 and name   HA) 2.65 0.85 0.85 ! 0.9768  184:2  Intra  2.31, 2.39 A
assign (resid   26 and name  HB2) (resid   26 and name   HA) 2.65 0.85 0.85 ! 0.8442  185:2  Intra  2.98, 3.01 A
assign (resid    2 and name  HB1) (resid   19 and name   HA) 3.15 1.35 1.35 ! 0.9759  186:2  Long   2.30, 2.49 A
assign (resid   34 and name  HG2) (resid   36 and name   HA) 3.15 1.35 1.35 ! 0.5471  187:2  Ambig  3.77, 4.06 A
    or (resid   16 and name  HG2) (resid   16 and name   HA)                ! 0.4529  187:2  -----  3.89, 3.92 A
assign (resid    2 and name  HB2) (resid   19 and name   HA) 3.15 1.35 1.35 ! 0.0000  188:2  Long   3.76, 3.98 A
assign (resid    7 and name  HB2) (resid    7 and name   HA) 2.65 0.85 0.85 ! 0.9675  189:2  Intra  2.44, 2.48 A
assign (resid   30 and name  HG2) (resid   30 and name   HA) 3.15 1.35 1.35 ! 0.9705  190:2  Intra  3.83, 3.95 A
assign (resid   30 and name  HG1) (resid   30 and name   HA) 3.15 1.35 1.35 ! 0.9911  191:2  Intra  2.81, 3.04 A
assign (resid   18 and name   HB) (resid   18 and name   HA) 2.65 0.85 0.85 ! 0.9503  192:2  Intra  3.03, 3.04 A
assign (resid   36 and name  HB*) (resid   36 and name   HA) 2.65 0.85 0.85 ! 0.9936  193:2  Intra  2.46, 2.76 A
assign (resid    7 and name  HB1) (resid    7 and name   HA) 3.15 1.35 1.35 ! 0.9120  194:2  Intra  3.02, 3.03 A
assign (resid   17 and name HG2*) (resid   17 and name   HB) 2.30 0.50 0.50 ! 0.9659  195:2  Intra  2.45, 2.65 A
assign (resid   24 and name HG2*) (resid   24 and name   HA) 2.65 0.85 0.85 ! 0.0000  196:2  Intra  2.37, 2.96 A
assign (resid   17 and name HG2*) (resid   14 and name   HA) 2.65 0.85 0.85 ! 0.3844  197:2  Ambig  2.59, 4.24 A
    or (resid   20 and name  HB*) (resid    3 and name   HA)                ! 0.3555  197:2  -----  2.63, 3.96 A
    or (resid   36 and name   HG) (resid   36 and name   HA)                ! 0.2283  197:2  -----  2.83, 2.97 A
assign (resid   20 and name  HB*) (resid    1 and name   HB) 3.65 1.85 1.85 ! 0.9978  199:2  Long   2.21, 4.57 A
assign (resid   30 and name  HB2) (resid   30 and name   HA) 2.65 0.85 0.85 ! 0.9685  200:2  Intra  2.89, 2.91 A
assign (resid   28 and name HD2*) (resid   28 and name   HA) 2.65 0.85 0.85 ! 0.9965  201:2  Intra  2.10, 2.99 A
assign (resid   36 and name HD2*) (resid   36 and name   HA) 2.30 0.50 0.50 ! 0.9991  202:2  Intra  2.04, 2.97 A
assign (resid   18 and name HG2*) (resid   18 and name   HA) 2.30 0.50 0.50 ! 0.5027  203:2  Ambig  2.48, 3.14 A
    or (resid   18 and name HG1*) (resid   18 and name   HA)                ! 0.4853  203:2  -----  2.50, 3.15 A
assign (resid   23 and name HG2*) (resid   23 and name   HA) 2.65 0.85 0.85 ! 0.0000  204:2  Intra  2.49, 3.11 A
assign (resid   23 and name HG2*) (resid   36 and name   HA) 3.15 1.35 1.35 ! 0.6949  205:2  Ambig  3.93, 4.88 A
    or (resid   23 and name HG2*) (resid    3 and name   HA)                ! 0.2636  205:2  -----  4.61, 5.84 A
assign (resid   27 and name HG1*) (resid   30 and name   HA) 3.65 1.85 1.85 ! 0.0000  206:2  Mid    2.92, 3.24 A
assign (resid   24 and name   HN) (resid   23 and name   HB) 2.65 0.85 0.85 ! 0.0000  207:2  Seq    2.69, 2.79 A
assign (resid   34 and name   HN) (resid   27 and name   HA) 3.15 1.35 1.35 ! 0.6896  208:2  Ambig  3.49, 3.68 A
    or (resid   26 and name   HN) (resid   27 and name   HA)                ! 0.1028  208:2  -----  4.80, 4.91 A
    or (resid   36 and name   HN) (resid    4 and name   HA)                ! 0.0693  208:2  -----  5.12, 5.43 A
assign (resid   36 and name   HN) (resid   23 and name   HB) 2.65 0.85 0.85 ! 0.8001  209:2  Long   3.35, 3.42 A
assign (resid   34 and name   HN) (resid   33 and name  HB1) 2.65 0.85 0.85 ! 0.0000  210:2  Seq    2.99, 3.17 A
assign (resid   28 and name   HN) (resid   27 and name   HA) 2.30 0.50 0.50 ! 0.8774  211:2  Seq    2.06, 2.11 A
assign (resid   31 and name  HD*) (resid   30 and name  HD2) 3.15 1.35 1.35 ! 0.0000  212:2  Seq    2.70, 4.99 A
assign (resid    4 and name  HD2) (resid    4 and name   HA) 2.30 0.50 0.50 ! 0.5926  213:2  Ambig  2.26, 2.34 A
    or (resid    5 and name  HD*) (resid    5 and name   HA)                ! 0.3520  213:2  -----  2.46, 3.49 A
assign (resid    9 and name   HN) (resid    9 and name  HA1) 3.15 1.35 1.35 ! 0.7589  214:2  Ambig  2.65, 2.86 A
    or (resid   33 and name   HN) (resid   10 and name  HA2)                ! 0.1833  214:2  -----  3.36, 3.99 A
assign (resid    4 and name  HD2) (resid   23 and name   HB) 3.65 1.85 1.85 ! 0.9905  215:2  Long   3.04, 3.36 A
assign (resid    9 and name   HN) (resid   33 and name  HB1) 3.15 1.35 1.35 ! 0.6230  216:2  Ambig  3.40, 4.05 A
    or (resid   33 and name   HN) (resid   33 and name  HB1)                ! 0.3705  216:2  -----  3.71, 3.76 A
assign (resid    5 and name  HE*) (resid    5 and name   HA) 3.65 1.85 1.85 ! 0.7811  217:2  Ambig  4.66, 5.26 A
    or (resid    5 and name  HE*) (resid    4 and name   HA)                ! 0.2189  217:2  -----  5.75, 6.75 A
assign (resid    8 and name   HA) (resid    8 and name  HB2) 2.65 0.85 0.85 ! 0.9554  218:2  Intra  2.40, 2.45 A
assign (resid   33 and name   HA) (resid   27 and name   HA) 2.65 0.85 0.85 ! 0.0000  219:2  Long   2.15, 2.32 A
assign (resid   29 and name   HA) (resid   30 and name  HD1) 2.30 0.50 0.50 ! 0.0000  220:2  Seq    2.06, 2.19 A
assign (resid   35 and name   HA) (resid   23 and name   HB) 3.15 1.35 1.35 ! 0.0000  221:2  Long   3.61, 3.71 A
assign (resid   29 and name   HA) (resid   30 and name  HD2) 2.65 0.85 0.85 ! 0.0000  222:2  Seq    3.12, 3.28 A
assign (resid   33 and name   HA) (resid   33 and name  HB1) 2.65 0.85 0.85 ! 0.0000  223:2  Intra  2.42, 2.44 A
assign (resid  101 and name   H1) (resid    3 and name  HB1) 2.65 0.85 0.85 ! 0.9786  224:2  Long   2.21, 2.58 A
assign (resid   14 and name   HA) (resid   14 and name  HB2) 2.30 0.50 0.50 ! 0.8719  225:2  Intra  2.51, 2.63 A
assign (resid   23 and name   HA) (resid   23 and name   HB) 2.30 0.50 0.50 ! 0.0000  226:2  Intra  2.41, 2.44 A
assign (resid   19 and name   HA) (resid   19 and name  HB1) 2.65 0.85 0.85 ! 0.0000  227:2  Intra  2.42, 2.46 A
assign (resid   14 and name   HA) (resid   14 and name  HB1) 2.30 0.50 0.50 ! 0.9844  228:2  Intra  2.29, 2.36 A
assign (resid  101 and name   H1) (resid  101 and name   H5) 2.65 0.85 0.85 ! 0.9990  229:2  Intra  2.09, 2.27 A
assign (resid    3 and name   HA) (resid    3 and name  HB1) 2.30 0.50 0.50 ! 0.5337  230:2  Ambig  2.39, 2.45 A
    or (resid   24 and name   HA) (resid   24 and name   HB)                ! 0.3781  230:2  -----  2.53, 2.58 A
assign (resid   31 and name   HA) (resid   10 and name  HA2) 2.65 0.85 0.85 ! 0.9201  231:2  Long   2.86, 3.19 A
assign (resid   21 and name   HA) (resid   21 and name  HB*) 2.30 0.50 0.50 ! 0.9820  232:2  Intra  2.37, 2.70 A
assign (resid    6 and name  HA2) (resid    5 and name  HB2) 3.65 1.85 1.85 ! 0.0000  237:2  Seq    4.69, 4.84 A
assign (resid  101 and name  H62) (resid  101 and name   H5) 2.65 0.85 0.85 ! 0.8360  239:2  Intra  2.35, 2.45 A
assign (resid   15 and name  HA2) (resid   16 and name  HD2) 2.65 0.85 0.85 ! 0.0000  243:2  Seq    2.81, 2.84 A
assign (resid  101 and name   H5) (resid  101 and name  H62) 2.30 0.50 0.50 ! 0.4902  245:2  Ambig  2.35, 2.45 A
    or (resid   33 and name  HB1) (resid   27 and name   HA)                ! 0.2488  245:2  -----  2.63, 2.86 A
    or (resid   16 and name  HD2) (resid   15 and name  HA2)                ! 0.1648  245:2  -----  2.81, 2.84 A
assign (resid  101 and name   H3) (resid  101 and name  H62) 3.15 1.35 1.35 ! 0.0000  247:2  Intra  4.27, 4.39 A
assign (resid    5 and name  HB2) (resid    5 and name   HA) 2.65 0.85 0.85 ! 0.9323  253:2  Intra  3.01, 3.03 A
assign (resid  101 and name   H4) (resid  101 and name  H62) 3.15 1.35 1.35 ! 0.7731  254:2  Ambig  3.16, 3.28 A
    or (resid    6 and name  HA1) (resid    3 and name  HB1)                ! 0.0675  254:2  -----  4.74, 5.35 A
assign (resid   29 and name  HB*) (resid   30 and name  HD1) 2.30 0.50 0.50 ! 0.0000  255:2  Seq    2.46, 3.25 A
assign (resid  101 and name   H4) (resid  101 and name  H61) 2.65 0.85 0.85 ! 0.9964  256:2  Intra  2.40, 2.46 A
assign (resid   29 and name  HB*) (resid   30 and name  HD2) 2.30 0.50 0.50 ! 0.0000  257:2  Seq    2.14, 2.96 A
assign (resid  101 and name   H2) (resid  101 and name   H3) 2.65 0.85 0.85 ! 0.0000  258:2  Intra  3.01, 3.04 A
assign (resid  101 and name   H2) (resid  101 and name   H4) 2.65 0.85 0.85 ! 0.8348  259:2  Intra  2.39, 2.44 A
assign (resid    4 and name  HB1) (resid    4 and name   HA) 2.65 0.85 0.85 ! 0.9522  260:2  Intra  3.00, 3.02 A
assign (resid   35 and name  HB2) (resid    4 and name   HA) 2.65 0.85 0.85 ! 0.5363  261:2  Ambig  2.39, 2.62 A
    or (resid    5 and name  HB1) (resid    5 and name   HA)                ! 0.4419  261:2  -----  2.47, 2.53 A
assign (resid    4 and name  HB2) (resid    4 and name   HA) 2.65 0.85 0.85 ! 0.9561  262:2  Intra  2.57, 2.60 A
assign (resid   33 and name  HB2) (resid    9 and name  HA1) 2.65 0.85 0.85 ! 0.6775  263:2  Ambig  2.90, 3.48 A
    or (resid   33 and name  HB2) (resid   10 and name  HA2)                ! 0.2344  263:2  -----  3.46, 3.79 A
assign (resid   35 and name  HB2) (resid   23 and name   HB) 3.15 1.35 1.35 ! 0.0000  264:2  Long   3.06, 3.12 A
assign (resid    2 and name  HG1) (resid    6 and name  HA1) 2.65 0.85 0.85 ! 0.9980  267:2  Mid    2.27, 2.66 A
assign (resid   34 and name  HG1) (resid    5 and name   HA) 3.15 1.35 1.35 ! 0.9969  268:2  Long   2.02, 2.45 A
assign (resid   30 and name  HB1) (resid   30 and name  HD1) 3.65 1.85 1.85 ! 0.9464  269:2  Intra  4.04, 4.08 A
assign (resid   27 and name   HB) (resid   27 and name   HA) 2.65 0.85 0.85 ! 0.8377  271:2  Intra  3.03, 3.04 A
assign (resid   34 and name  HG2) (resid    5 and name   HA) 2.65 0.85 0.85 ! 0.9854  272:2  Long   2.18, 2.52 A
assign (resid   18 and name   HB) (resid    1 and name   HA) 3.15 1.35 1.35 ! 0.9975  273:2  Long   2.37, 2.78 A
assign (resid   30 and name  HG2) (resid   30 and name  HD1) 2.65 0.85 0.85 ! 0.0000  274:2  Intra  2.68, 2.70 A
assign (resid   30 and name  HG1) (resid   30 and name  HD1) 2.65 0.85 0.85 ! 0.9769  275:2  Intra  2.31, 2.34 A
assign (resid   30 and name  HG2) (resid   30 and name  HD2) 2.65 0.85 0.85 ! 0.0000  276:2  Intra  2.30, 2.32 A
assign (resid   16 and name  HG2) (resid   16 and name  HD1) 2.65 0.85 0.85 ! 0.8092  277:2  Intra  2.93, 2.98 A
assign (resid   30 and name  HG1) (resid   30 and name  HD2) 2.65 0.85 0.85 ! 0.9896  278:2  Intra  2.98, 2.99 A
assign (resid   16 and name  HB2) (resid   16 and name  HD1) 3.15 1.35 1.35 ! 0.8280  279:2  Intra  3.85, 3.89 A
assign (resid   16 and name  HG1) (resid   16 and name  HD2) 2.30 0.50 0.50 ! 0.8478  280:2  Intra  2.67, 2.70 A
assign (resid   11 and name HG11) (resid   11 and name   HA) 2.65 0.85 0.85 ! 0.7751  281:2  Ambig  2.96, 3.02 A
    or (resid   11 and name HG11) (resid   10 and name  HA2)                ! 0.2197  281:2  -----  3.65, 3.88 A
assign (resid   20 and name  HB*) (resid   20 and name   HA) 2.30 0.50 0.50 ! 0.9029  282:2  Intra  2.41, 2.63 A
assign (resid   24 and name HG2*) (resid   24 and name   HB) 2.30 0.50 0.50 ! 0.0000  283:2  Intra  2.42, 2.64 A
assign (resid    1 and name HG2*) (resid    1 and name   HA) 2.65 0.85 0.85 ! 0.9536  284:2  Intra  2.31, 2.90 A
assign (resid   11 and name   HB) (resid   11 and name   HA) 3.15 1.35 1.35 ! 0.9313  285:2  Intra  3.03, 3.04 A
assign (resid   27 and name HG2*) (resid   27 and name   HA) 2.30 0.50 0.50 ! 0.9703  286:2  Intra  2.48, 3.11 A
assign (resid   11 and name HG2*) (resid   11 and name   HA) 2.65 0.85 0.85 ! 0.9535  287:2  Intra  2.54, 3.16 A
assign (resid   27 and name HG1*) (resid   27 and name   HA) 2.65 0.85 0.85 ! 0.0000  288:2  Intra  2.51, 3.14 A
assign (resid   23 and name HG2*) (resid    4 and name   HA) 2.65 0.85 0.85 ! 0.9941  289:2  Long   2.24, 3.49 A
assign (resid   11 and name HD1*) (resid   11 and name   HA) 3.15 1.35 1.35 ! 0.8258  290:2  Intra  4.39, 4.65 A
assign (resid   23 and name HG2*) (resid   23 and name   HB) 2.65 0.85 0.85 ! 0.0000  291:2  Intra  2.39, 2.62 A
assign (resid   36 and name   HN) (resid   35 and name  HB2) 3.15 1.35 1.35 ! 0.7265  292:2  Ambig  4.00, 4.07 A
    or (resid    3 and name   HN) (resid   35 and name  HB2)                ! 0.1667  292:2  -----  5.11, 5.48 A
assign (resid   34 and name   HN) (resid   33 and name  HB2) 3.15 1.35 1.35 ! 0.4375  293:2  Ambig  3.90, 4.03 A
    or (resid   26 and name   HN) (resid    8 and name  HB1)                ! 0.1683  293:2  -----  4.58, 5.17 A
    or (resid   34 and name   HN) (resid    8 and name  HB1)                ! 0.1170  293:2  -----  4.86, 5.40 A
    or (resid   12 and name   HN) (resid   13 and name  HB2)                ! 0.1100  293:2  -----  4.92, 5.19 A
assign (resid   31 and name   HN) (resid   31 and name  HB2) 3.15 1.35 1.35 ! 0.9975  294:2  Intra  2.31, 2.40 A
assign (resid   29 and name   HN) (resid   29 and name  HB*) 3.15 1.35 1.35 ! 0.0000  295:2  Intra  2.63, 3.49 A
assign (resid   35 and name   HN) (resid   35 and name  HB2) 2.65 0.85 0.85 ! 0.8462  296:2  Intra  2.64, 2.69 A
assign (resid   32 and name   HN) (resid   32 and name  HB2) 2.65 0.85 0.85 ! 0.9890  297:2  Intra  2.75, 2.85 A
assign (resid   31 and name  HD*) (resid   31 and name  HB1) 2.65 0.85 0.85 ! 0.9597  298:2  Intra  2.31, 3.05 A
assign (resid   31 and name  HD*) (resid   29 and name  HB*) 3.15 1.35 1.35 ! 0.0000  299:2  Mid    3.64, 6.48 A
assign (resid   26 and name HE21) (resid   35 and name  HB1) 4.15 2.35 2.35 ! 0.7335  300:2  Ambig  5.81, 5.90 A
    or (resid   26 and name HE21) (resid   35 and name  HB2)                ! 0.2665  300:2  -----  6.88, 6.97 A
assign (resid   31 and name  HD*) (resid   31 and name  HB2) 2.30 0.50 0.50 ! 0.9338  302:2  Intra  2.35, 3.05 A
assign (resid    5 and name  HD*) (resid    5 and name  HB2) 2.65 0.85 0.85 ! 0.9855  303:2  Intra  2.32, 3.03 A
assign (resid    5 and name  HD*) (resid    5 and name  HB1) 2.65 0.85 0.85 ! 0.8528  304:2  Intra  2.36, 3.05 A
assign (resid   31 and name  HE*) (resid   31 and name  HB2) 3.65 1.85 1.85 ! 0.0000  305:2  Intra  4.62, 5.05 A
assign (resid   13 and name  HD*) (resid   13 and name  HB1) 2.30 0.50 0.50 ! 0.6025  306:2  Ambig  2.25, 3.02 A
    or (resid   13 and name  HD*) (resid   13 and name  HB2)                ! 0.3905  306:2  -----  2.42, 3.06 A
assign (resid   32 and name  HD*) (resid   32 and name  HB2) 2.65 0.85 0.85 ! 0.9939  307:2  Intra  2.50, 3.06 A
assign (resid    9 and name   HN) (resid   33 and name  HB2) 2.65 0.85 0.85 ! 0.8552  308:2  Long   1.88, 2.46 A
assign (resid    5 and name  HE*) (resid    5 and name  HB2) 3.15 1.35 1.35 ! 0.0000  309:2  Intra  4.62, 5.04 A
assign (resid    5 and name  HE*) (resid    5 and name  HB1) 3.65 1.85 1.85 ! 0.0000  310:2  Intra  4.65, 5.05 A
assign (resid   32 and name  HE*) (resid   32 and name  HB2) 3.15 1.35 1.35 ! 0.8847  311:2  Intra  4.69, 5.04 A
assign (resid    8 and name   HA) (resid    8 and name  HB1) 2.65 0.85 0.85 ! 0.9706  312:2  Intra  2.31, 2.35 A
assign (resid   29 and name   HA) (resid   29 and name  HB*) 2.30 0.50 0.50 ! 0.0000  313:2  Intra  2.43, 2.62 A
assign (resid   35 and name   HA) (resid   35 and name  HB1) 2.65 0.85 0.85 ! 0.8596  314:2  Intra  2.22, 2.25 A
assign (resid   33 and name   HA) (resid   33 and name  HB2) 3.15 1.35 1.35 ! 0.9664  315:2  Intra  3.02, 3.06 A
assign (resid   25 and name   HA) (resid   25 and name  HB2) 2.65 0.85 0.85 ! 0.9758  316:2  Intra  2.38, 2.44 A
assign (resid   25 and name   HA) (resid   25 and name  HB1) 2.65 0.85 0.85 ! 0.6106  317:2  Ambig  3.02, 3.03 A
    or (resid   19 and name   HA) (resid   35 and name  HB1)                ! 0.1683  317:2  -----  3.74, 3.87 A
    or (resid   25 and name   HA) (resid   35 and name  HB1)                ! 0.1600  317:2  -----  3.77, 3.95 A
assign (resid   13 and name   HA) (resid   13 and name  HB2) 2.65 0.85 0.85 ! 0.0000  318:2  Intra  2.38, 2.46 A
assign (resid   32 and name   HA) (resid   32 and name  HB2) 2.65 0.85 0.85 ! 0.8080  319:2  Intra  2.41, 2.46 A
assign (resid   31 and name   HA) (resid   31 and name  HB1) 2.65 0.85 0.85 ! 0.0000  320:2  Intra  2.35, 2.44 A
assign (resid   31 and name   HA) (resid   31 and name  HB2) 2.65 0.85 0.85 ! 0.9619  321:2  Intra  2.99, 3.01 A
assign (resid   10 and name  HA1) (resid   13 and name  HB2) 3.65 1.85 1.85 ! 0.8305  322:2  Mid    2.85, 3.77 A
assign (resid   10 and name  HA1) (resid   13 and name  HB2) 3.15 1.35 1.35 ! 0.7464  323:2  Ambig  2.85, 3.77 A
    or (resid   10 and name  HA1) (resid   33 and name  HB2)                ! 0.1006  323:2  -----  3.98, 4.36 A
assign (resid    9 and name  HA2) (resid   33 and name  HB2) 3.15 1.35 1.35 ! 0.5827  324:2  Ambig  3.98, 4.23 A
    or (resid    9 and name  HA2) (resid   13 and name  HB2)                ! 0.3513  324:2  -----  4.33, 4.93 A
assign (resid   30 and name  HD1) (resid   29 and name  HB*) 2.30 0.50 0.50 ! 0.0000  325:2  Seq    2.46, 3.25 A
assign (resid    4 and name   HA) (resid   35 and name  HB2) 2.30 0.50 0.50 ! 0.5056  326:2  Ambig  2.39, 2.62 A
    or (resid    5 and name   HA) (resid    5 and name  HB1)                ! 0.4166  326:2  -----  2.47, 2.53 A
assign (resid   30 and name  HD2) (resid   29 and name  HB*) 2.30 0.50 0.50 ! 0.0000  327:2  Seq    2.14, 2.96 A
assign (resid   19 and name  HB1) (resid   35 and name  HB2) 2.65 0.85 0.85 ! 0.0000  328:2  Long   3.46, 3.50 A
assign (resid    9 and name  HA1) (resid   33 and name  HB2) 2.65 0.85 0.85 ! 0.6818  329:2  Ambig  2.90, 3.48 A
    or (resid   10 and name  HA2) (resid   33 and name  HB2)                ! 0.2359  329:2  -----  3.46, 3.79 A
assign (resid   23 and name HG2*) (resid    4 and name  HB1) 3.15 1.35 1.35 ! 0.0000  342:2  Long   3.79, 4.65 A
assign (resid   23 and name HG2*) (resid    4 and name  HB2) 3.15 1.35 1.35 ! 0.0000  343:2  Long   2.22, 3.19 A
assign (resid   26 and name   HN) (resid   26 and name  HG1) 3.15 1.35 1.35 ! 0.7206  344:2  Ambig  2.38, 2.97 A
    or (resid   36 and name   HN) (resid   26 and name  HG1)                ! 0.2695  344:2  -----  2.80, 3.31 A
assign (resid   26 and name   HN) (resid   26 and name  HG2) 3.15 1.35 1.35 ! 0.6694  345:2  Ambig  2.06, 2.92 A
    or (resid   36 and name   HN) (resid   26 and name  HG2)                ! 0.2968  345:2  -----  2.36, 3.75 A
assign (resid   26 and name   HN) (resid   26 and name  HB1) 2.65 0.85 0.85 ! 0.3905  346:2  Ambig  3.58, 3.64 A
    or (resid   36 and name   HN) (resid   34 and name  HG2)                ! 0.1876  346:2  -----  4.05, 4.41 A
    or (resid   34 and name   HN) (resid   34 and name  HG2)                ! 0.1599  346:2  -----  4.16, 4.36 A
    or (resid   34 and name   HN) (resid   26 and name  HB1)                ! 0.0838  346:2  -----  4.63, 4.84 A
assign (resid   35 and name   HN) (resid   34 and name  HG1) 3.15 1.35 1.35 ! 0.0000  347:2  Seq    2.82, 3.05 A
assign (resid   32 and name   HN) (resid   32 and name  HB1) 3.15 1.35 1.35 ! 0.0000  348:2  Intra  2.55, 2.61 A
assign (resid   32 and name  HD*) (resid   32 and name  HB1) 2.65 0.85 0.85 ! 0.0000  349:2  Intra  2.22, 3.01 A
assign (resid   32 and name  HD*) (resid    7 and name  HG1) 3.15 1.35 1.35 ! 0.0000  350:2  Long   2.60, 4.58 A
assign (resid   33 and name   HN) (resid    7 and name  HG1) 3.15 1.35 1.35 ! 0.9001  351:2  Long   2.10, 2.24 A
assign (resid   32 and name  HD*) (resid    7 and name  HB2) 3.15 1.35 1.35 ! 0.9882  352:2  Long   3.15, 5.06 A
assign (resid   32 and name  HE*) (resid   32 and name  HB1) 3.65 1.85 1.85 ! 0.0000  353:2  Intra  4.54, 5.03 A
assign (resid   32 and name  HE*) (resid    7 and name  HG1) 3.15 1.35 1.35 ! 0.0000  354:2  Long   3.29, 5.14 A
assign (resid   32 and name  HE*) (resid    7 and name  HB2) 2.65 0.85 0.85 ! 0.9932  355:2  Long   2.07, 4.45 A
assign (resid    8 and name   HA) (resid    2 and name  HG2) 3.65 1.85 1.85 ! 0.9933  356:2  Long   2.15, 2.43 A
assign (resid   29 and name   HA) (resid   30 and name  HG2) 3.65 1.85 1.85 ! 0.0000  357:2  Seq    4.72, 4.82 A
assign (resid   32 and name   HA) (resid   32 and name  HB1) 2.65 0.85 0.85 ! 0.0000  358:2  Intra  2.98, 3.00 A
assign (resid   26 and name   HA) (resid   26 and name  HG1) 3.15 1.35 1.35 ! 0.7180  359:2  Ambig  3.04, 3.47 A
    or (resid   25 and name   HA) (resid   26 and name  HG1)                ! 0.2820  359:2  -----  3.55, 4.40 A
assign (resid   32 and name   HA) (resid    7 and name  HG1) 2.30 0.50 0.50 ! 0.4843  360:2  Ambig  2.75, 3.02 A
    or (resid   19 and name   HA) (resid   19 and name  HB2)                ! 0.2867  360:2  -----  3.00, 3.02 A
    or (resid   25 and name   HA) (resid   26 and name  HG2)                ! 0.1709  360:2  -----  3.27, 4.25 A
assign (resid   26 and name   HA) (resid   26 and name  HB1) 2.65 0.85 0.85 ! 0.9882  361:2  Intra  2.31, 2.39 A
assign (resid   16 and name   HA) (resid   16 and name  HB1) 2.30 0.50 0.50 ! 0.9989  362:2  Intra  2.26, 2.28 A
assign (resid    7 and name   HA) (resid    7 and name  HG1) 2.65 0.85 0.85 ! 0.9457  363:2  Intra  2.56, 2.64 A
assign (resid   24 and name   HA) (resid   19 and name  HB2) 3.15 1.35 1.35 ! 0.9310  364:2  Long   2.65, 2.98 A
assign (resid   30 and name   HA) (resid   30 and name  HB1) 2.30 0.50 0.50 ! 0.9935  365:2  Intra  2.26, 2.27 A
assign (resid   30 and name   HA) (resid   30 and name  HG2) 3.15 1.35 1.35 ! 0.0000  367:2  Intra  3.83, 3.95 A
assign (resid    7 and name   HA) (resid    7 and name  HB2) 2.65 0.85 0.85 ! 0.9846  368:2  Intra  2.44, 2.48 A
assign (resid   30 and name  HD1) (resid   30 and name  HG2) 2.65 0.85 0.85 ! 0.0000  369:2  Intra  2.68, 2.70 A
assign (resid   16 and name  HD2) (resid   16 and name  HB1) 3.15 1.35 1.35 ! 0.0000  370:2  Intra  3.92, 3.97 A
assign (resid   16 and name  HD1) (resid   16 and name  HG1) 2.30 0.50 0.50 ! 0.5233  372:2  Ambig  2.27, 2.30 A
    or (resid   30 and name  HD2) (resid   30 and name  HG2)                ! 0.4767  372:2  -----  2.30, 2.32 A
assign (resid    6 and name  HA1) (resid    2 and name  HG1) 3.15 1.35 1.35 ! 0.9980  373:2  Mid    2.27, 2.66 A
assign (resid    2 and name  HB1) (resid    2 and name  HG1) 2.65 0.85 0.85 ! 0.0000  378:2  Intra  2.35, 2.39 A
assign (resid   26 and name  HB2) (resid   26 and name  HG1) 2.65 0.85 0.85 ! 0.9992  379:2  Intra  2.25, 2.32 A
assign (resid   26 and name  HB2) (resid   26 and name  HG2) 2.30 0.50 0.50 ! 0.9959  381:2  Intra  2.43, 2.72 A
assign (resid   26 and name  HB1) (resid   26 and name  HG2) 2.30 0.50 0.50 ! 0.4070  382:2  Ambig  2.36, 2.66 A
    or (resid    7 and name  HB2) (resid    7 and name  HG1)                ! 0.3757  382:2  -----  2.39, 2.44 A
    or (resid   30 and name  HG2) (resid   30 and name  HB1)                ! 0.2144  382:2  -----  2.63, 2.68 A
assign (resid    2 and name  HB2) (resid    2 and name  HG1) 2.65 0.85 0.85 ! 0.0000  384:2  Intra  3.00, 3.01 A
assign (resid   34 and name  HB2) (resid   34 and name  HG1) 2.30 0.50 0.50 ! 0.0000  385:2  Intra  2.39, 2.42 A
assign (resid   11 and name HD1*) (resid   30 and name  HB1) 3.15 1.35 1.35 ! 0.0000  388:2  Long   2.40, 3.44 A
assign (resid   26 and name   HN) (resid   26 and name  HB2) 2.30 0.50 0.50 ! 0.4297  389:2  Ambig  2.50, 2.58 A
    or (resid   34 and name   HN) (resid   34 and name  HB1)                ! 0.3888  389:2  -----  2.55, 2.66 A
assign (resid   34 and name   HN) (resid   28 and name   HG) 3.65 1.85 1.85 ! 0.9107  390:2  Long   2.53, 2.98 A
assign (resid   36 and name   HN) (resid   36 and name  HB*) 2.30 0.50 0.50 ! 0.7548  391:2  Ambig  2.44, 3.13 A
    or (resid   34 and name   HN) (resid   34 and name  HB2)                ! 0.2024  391:2  -----  3.04, 3.22 A
assign (resid   35 and name   HN) (resid   34 and name  HG2) 3.15 1.35 1.35 ! 0.9896  392:2  Seq    2.86, 3.11 A
assign (resid   29 and name   HN) (resid   28 and name  HB2) 2.30 0.50 0.50 ! 0.4069  393:2  Ambig  2.26, 2.60 A
    or (resid   28 and name   HN) (resid   28 and name  HB2)                ! 0.2709  393:2  -----  2.41, 2.46 A
    or (resid   27 and name   HN) (resid   27 and name   HB)                ! 0.2695  393:2  -----  2.42, 2.49 A
assign (resid   35 and name   HN) (resid   34 and name  HB1) 3.65 1.85 1.85 ! 0.6618  394:2  Ambig  4.10, 4.24 A
    or (resid   35 and name   HN) (resid    2 and name  HB1)                ! 0.2607  394:2  -----  4.78, 5.15 A
assign (resid   28 and name   HN) (resid   28 and name   HG) 2.65 0.85 0.85 ! 0.8509  395:2  Intra  2.22, 2.42 A
assign (resid   35 and name   HN) (resid   34 and name  HB2) 3.15 1.35 1.35 ! 0.9186  396:2  Seq    3.96, 4.17 A
assign (resid   32 and name  HD*) (resid   28 and name  HB2) 2.65 0.85 0.85 ! 0.9902  397:2  Mid    2.11, 4.19 A
assign (resid   32 and name  HD*) (resid   28 and name  HB1) 2.65 0.85 0.85 ! 0.7083  398:2  Ambig  3.09, 5.48 A
    or (resid   32 and name  HD*) (resid   28 and name   HG)                ! 0.2917  398:2  -----  3.58, 5.61 A
assign (resid   32 and name  HD*) (resid   34 and name  HB2) 3.15 1.35 1.35 ! 0.0000  399:2  Mid    3.81, 4.70 A
assign (resid    4 and name  HD2) (resid   36 and name  HB*) 3.15 1.35 1.35 ! 0.5957  400:2  Ambig  4.40, 4.92 A
    or (resid    5 and name  HD*) (resid   36 and name  HB*)                ! 0.2063  400:2  -----  5.25, 7.30 A
assign (resid   32 and name  HE*) (resid   34 and name  HB1) 2.65 0.85 0.85 ! 0.5344  401:2  Ambig  3.53, 4.73 A
    or (resid   32 and name  HE*) (resid   28 and name  HB2)                ! 0.4656  401:2  -----  3.61, 5.42 A
assign (resid   32 and name  HE*) (resid   28 and name   HG) 3.15 1.35 1.35 ! 0.5513  402:2  Ambig  3.98, 5.91 A
    or (resid   32 and name  HE*) (resid   28 and name  HB1)                ! 0.4487  402:2  -----  4.12, 6.36 A
assign (resid   13 and name  HE*) (resid    7 and name  HB1) 3.15 1.35 1.35 ! 0.6140  403:2  Ambig  3.53, 4.04 A
    or (resid   32 and name  HE*) (resid    7 and name  HB1)                ! 0.3860  403:2  -----  3.82, 6.15 A
assign (resid   32 and name  HE*) (resid   34 and name  HB2) 2.65 0.85 0.85 ! 0.0000  404:2  Mid    2.47, 3.59 A
assign (resid   33 and name   HA) (resid   28 and name  HB2) 3.15 1.35 1.35 ! 0.6256  405:2  Ambig  3.44, 3.81 A
    or (resid   33 and name   HA) (resid   34 and name  HB1)                ! 0.2071  405:2  -----  4.14, 4.35 A
assign (resid   29 and name   HA) (resid   30 and name  HG1) 3.15 1.35 1.35 ! 0.5673  406:2  Ambig  4.11, 4.17 A
    or (resid   29 and name   HA) (resid   28 and name  HB2)                ! 0.3313  406:2  -----  4.50, 4.78 A
assign (resid   33 and name   HA) (resid   28 and name   HG) 3.15 1.35 1.35 ! 0.9631  407:2  Long   2.91, 3.37 A
assign (resid   26 and name   HA) (resid   26 and name  HB2) 2.65 0.85 0.85 ! 0.8403  408:2  Intra  2.98, 3.01 A
assign (resid   28 and name   HA) (resid   28 and name  HB2) 2.65 0.85 0.85 ! 0.7682  409:2  Ambig  3.01, 3.02 A
    or (resid   17 and name   HA) (resid    2 and name  HB1)                ! 0.1236  409:2  -----  4.09, 4.42 A
assign (resid   19 and name   HA) (resid    2 and name  HB1) 2.65 0.85 0.85 ! 0.9910  410:2  Long   2.30, 2.49 A
assign (resid   28 and name   HA) (resid   28 and name  HB1) 2.65 0.85 0.85 ! 0.7850  411:2  Ambig  2.41, 2.46 A
    or (resid   28 and name   HA) (resid   28 and name   HG)                ! 0.1938  411:2  -----  3.04, 3.13 A
assign (resid   19 and name   HA) (resid    2 and name  HB2) 3.15 1.35 1.35 ! 0.9043  412:2  Long   3.76, 3.98 A
assign (resid   16 and name   HA) (resid   16 and name  HG1) 2.65 0.85 0.85 ! 0.4359  413:2  Ambig  3.50, 3.83 A
    or (resid   36 and name   HA) (resid   34 and name  HG2)                ! 0.2805  413:2  -----  3.77, 4.06 A
    or (resid   16 and name   HA) (resid   16 and name  HG2)                ! 0.2322  413:2  -----  3.89, 3.92 A
assign (resid   30 and name   HA) (resid   30 and name  HG1) 3.15 1.35 1.35 ! 0.9724  414:2  Intra  2.81, 3.04 A
assign (resid   16 and name   HA) (resid   16 and name  HB2) 2.65 0.85 0.85 ! 0.8448  415:2  Intra  2.81, 2.85 A
assign (resid    7 and name   HA) (resid    7 and name  HB1) 2.65 0.85 0.85 ! 0.0000  416:2  Intra  3.02, 3.03 A
assign (resid   36 and name   HA) (resid   36 and name  HB*) 2.30 0.50 0.50 ! 0.9936  418:2  Intra  2.46, 2.76 A
assign (resid    5 and name   HA) (resid   34 and name  HG1) 3.15 1.35 1.35 ! 0.9969  420:2  Long   2.02, 2.45 A
assign (resid    5 and name   HA) (resid   34 and name  HG2) 2.65 0.85 0.85 ! 0.9776  421:2  Long   2.18, 2.52 A
assign (resid   18 and name   HA) (resid   18 and name   HB) 2.65 0.85 0.85 ! 0.9503  422:2  Intra  3.03, 3.04 A
assign (resid    1 and name   HA) (resid   18 and name   HB) 3.15 1.35 1.35 ! 0.9975  423:2  Long   2.37, 2.78 A
assign (resid   27 and name   HA) (resid   27 and name   HB) 2.65 0.85 0.85 ! 0.8216  424:2  Intra  3.03, 3.04 A
assign (resid   30 and name  HD1) (resid   30 and name  HG1) 2.65 0.85 0.85 ! 0.9962  425:2  Intra  2.31, 2.34 A
assign (resid   27 and name   HA) (resid   28 and name   HG) 3.15 1.35 1.35 ! 0.9131  426:2  Seq    3.79, 3.97 A
assign (resid    1 and name   HA) (resid    2 and name  HB2) 3.65 1.85 1.85 ! 0.5138  427:2  Ambig  4.13, 4.34 A
    or (resid    1 and name   HA) (resid   16 and name  HB2)                ! 0.4862  427:2  -----  4.17, 4.96 A
assign (resid   15 and name  HA1) (resid   16 and name  HG2) 3.15 1.35 1.35 ! 0.7316  428:2  Ambig  3.74, 3.90 A
    or (resid   15 and name  HA1) (resid   16 and name  HG1)                ! 0.2386  428:2  -----  4.51, 4.62 A
assign (resid   16 and name  HD2) (resid   16 and name  HG2) 2.65 0.85 0.85 ! 0.6528  430:2  Ambig  2.28, 2.32 A
    or (resid   16 and name  HD2) (resid   16 and name  HG1)                ! 0.2512  430:2  -----  2.67, 2.70 A
assign (resid   30 and name  HD2) (resid   30 and name  HG1) 2.65 0.85 0.85 ! 0.9896  431:2  Intra  2.98, 2.99 A
assign (resid   16 and name  HD1) (resid   16 and name  HB2) 3.15 1.35 1.35 ! 0.9026  432:2  Intra  3.85, 3.89 A
assign (resid   16 and name  HD2) (resid   16 and name  HB2) 3.15 1.35 1.35 ! 0.0000  433:2  Intra  3.78, 4.00 A
assign (resid   11 and name   HA) (resid   11 and name HG11) 2.65 0.85 0.85 ! 0.0000  434:2  Intra  2.96, 3.02 A
assign (resid    2 and name  HG1) (resid    2 and name  HB1) 2.65 0.85 0.85 ! 0.0000  435:2  Intra  2.35, 2.39 A
assign (resid    2 and name  HG1) (resid    2 and name  HB2) 2.65 0.85 0.85 ! 0.8446  436:2  Intra  3.00, 3.01 A
assign (resid   26 and name  HG2) (resid   26 and name  HB2) 2.30 0.50 0.50 ! 0.5048  437:2  Ambig  2.43, 2.72 A
    or (resid    2 and name  HG2) (resid    2 and name  HB1)                ! 0.4770  437:2  -----  2.45, 2.48 A
assign (resid    2 and name  HG2) (resid    2 and name  HB2) 2.65 0.85 0.85 ! 0.8200  439:2  Intra  2.36, 2.39 A
assign (resid   34 and name  HG1) (resid   34 and name  HB2) 2.30 0.50 0.50 ! 0.9965  440:2  Intra  2.39, 2.42 A
assign (resid   16 and name  HB2) (resid   16 and name  HG2) 2.30 0.50 0.50 ! 0.7465  441:2  Ambig  2.24, 2.28 A
    or (resid   16 and name  HB2) (resid   16 and name  HG1)                ! 0.2484  441:2  -----  2.69, 2.73 A
assign (resid   18 and name HG1*) (resid   18 and name   HB) 2.30 0.50 0.50 ! 0.5233  448:2  Ambig  2.39, 2.64 A
    or (resid   18 and name HG2*) (resid   18 and name   HB)                ! 0.4767  448:2  -----  2.43, 2.64 A
assign (resid   27 and name HG2*) (resid   27 and name   HB) 2.30 0.50 0.50 ! 0.5740  449:2  Ambig  2.40, 2.62 A
    or (resid   28 and name HD2*) (resid   26 and name  HB2)                ! 0.3706  449:2  -----  2.58, 3.88 A
assign (resid   27 and name HG1*) (resid   27 and name   HB) 2.30 0.50 0.50 ! 0.9715  450:2  Intra  2.42, 2.64 A
assign (resid   11 and name HD1*) (resid   11 and name HG11) 2.30 0.50 0.50 ! 0.0000  451:2  Intra  2.42, 2.63 A
assign (resid   36 and name   HN) (resid   36 and name   HG) 3.15 1.35 1.35 ! 0.7458  452:2  Ambig  2.97, 3.11 A
    or (resid   26 and name   HN) (resid   36 and name   HG)                ! 0.1336  452:2  -----  3.96, 4.26 A
assign (resid   34 and name   HN) (resid   28 and name HD2*) 2.65 0.85 0.85 ! 0.3252  453:2  Ambig  3.87, 5.22 A
    or (resid   36 and name   HN) (resid   36 and name HD1*)                ! 0.1924  453:2  -----  4.22, 4.93 A
    or (resid   26 and name   HN) (resid   36 and name HD1*)                ! 0.1696  453:2  -----  4.31, 5.42 A
    or (resid   34 and name   HN) (resid   36 and name HD1*)                ! 0.1035  453:2  -----  4.68, 5.61 A
    or (resid   26 and name   HN) (resid   28 and name HD2*)                ! 0.0832  453:2  -----  4.86, 6.15 A
assign (resid   27 and name   HN) (resid   27 and name HG2*) 2.65 0.85 0.85 ! 0.8872  454:2  Intra  2.18, 3.17 A
assign (resid   29 and name   HN) (resid   27 and name HG1*) 2.65 0.85 0.85 ! 0.7016  455:2  Ambig  2.89, 3.88 A
    or (resid   28 and name   HN) (resid   27 and name HG1*)                ! 0.2364  455:2  -----  3.46, 4.11 A
assign (resid   31 and name  HD*) (resid   11 and name   HB) 2.65 0.85 0.85 ! 0.5698  456:2  Ambig  2.12, 3.68 A
    or (resid   31 and name  HD*) (resid   30 and name  HB2)                ! 0.4293  456:2  -----  2.22, 4.07 A
assign (resid   31 and name  HD*) (resid   11 and name HG2*) 3.15 1.35 1.35 ! 0.9751  457:2  Long   3.21, 5.65 A
assign (resid    4 and name  HD2) (resid   36 and name   HG) 3.65 1.85 1.85 ! 0.5134  458:2  Ambig  4.36, 4.57 A
    or (resid    5 and name  HD*) (resid   36 and name   HG)                ! 0.4285  458:2  -----  4.49, 6.17 A
assign (resid   13 and name  HD*) (resid   17 and name HG2*) 3.15 1.35 1.35 ! 0.0000  459:2  Mid    2.76, 5.73 A
assign (resid   31 and name  HE*) (resid   11 and name   HB) 3.15 1.35 1.35 ! 0.6377  460:2  Ambig  2.72, 4.11 A
    or (resid   31 and name  HE*) (resid   30 and name  HB2)                ! 0.3623  460:2  -----  2.99, 4.46 A
assign (resid    9 and name   HN) (resid    7 and name  HG2) 3.15 1.35 1.35 ! 0.9406  461:2  Mid    2.08, 2.36 A
assign (resid   32 and name  HD*) (resid   28 and name HD1*) 2.65 0.85 0.85 ! 0.9867  462:2  Mid    2.04, 4.96 A
assign (resid    5 and name  HD*) (resid   36 and name HD2*) 2.30 0.50 0.50 ! 0.6606  463:2  Ambig  2.49, 4.61 A
    or (resid    4 and name  HD2) (resid   36 and name HD2*)                ! 0.3314  463:2  -----  2.79, 4.16 A
assign (resid   32 and name  HD*) (resid   28 and name HD2*) 3.15 1.35 1.35 ! 0.0000  464:2  Mid    5.09, 7.37 A
assign (resid   31 and name  HE*) (resid   11 and name HG2*) 2.65 0.85 0.85 ! 0.0000  465:2  Long   2.80, 5.10 A
assign (resid   13 and name  HE*) (resid   17 and name HG2*) 2.65 0.85 0.85 ! 0.0000  466:2  Mid    2.78, 5.86 A
assign (resid   32 and name  HE*) (resid   28 and name HD1*) 2.65 0.85 0.85 ! 0.9940  467:2  Mid    1.96, 4.54 A
assign (resid    5 and name  HE*) (resid   36 and name HD2*) 2.65 0.85 0.85 ! 0.0000  468:2  Long   2.62, 4.60 A
assign (resid   32 and name  HE*) (resid   28 and name HD2*) 3.15 1.35 1.35 ! 0.0000  469:2  Mid    5.09, 7.43 A
assign (resid    8 and name   HA) (resid   17 and name HG2*) 3.15 1.35 1.35 ! 0.5999  470:2  Ambig  3.20, 4.86 A
    or (resid   15 and name   HN) (resid   17 and name HG2*)                ! 0.4001  470:2  -----  3.43, 4.75 A
assign (resid   33 and name   HA) (resid   27 and name HG2*) 3.15 1.35 1.35 ! 0.7092  471:2  Ambig  3.88, 4.97 A
    or (resid   33 and name   HA) (resid   28 and name HD2*)                ! 0.2582  471:2  -----  4.59, 5.80 A
assign (resid   29 and name   HA) (resid   27 and name HG1*) 3.15 1.35 1.35 ! 0.0000  472:2  Mid    3.33, 4.53 A
assign (resid   17 and name   HB) (resid   17 and name HG2*) 2.30 0.50 0.50 ! 0.9848  473:2  Intra  2.45, 2.65 A
assign (resid   19 and name   HA) (resid    1 and name HG2*) 3.15 1.35 1.35 ! 0.9878  474:2  Long   3.49, 4.74 A
assign (resid   28 and name   HA) (resid   28 and name HD1*) 3.15 1.35 1.35 ! 0.7717  476:2  Ambig  4.34, 4.68 A
    or (resid   17 and name   HA) (resid    7 and name  HG2)                ! 0.1555  476:2  -----  5.67, 6.00 A
assign (resid   28 and name   HA) (resid   28 and name HD1*) 3.65 1.85 1.85 ! 0.9138  477:2  Intra  4.34, 4.68 A
assign (resid   28 and name   HA) (resid   28 and name HD2*) 2.65 0.85 0.85 ! 0.9965  479:2  Intra  2.10, 2.99 A
assign (resid   26 and name   HA) (resid   27 and name HG2*) 3.15 1.35 1.35 ! 0.7651  480:2  Ambig  3.48, 4.70 A
    or (resid   26 and name   HA) (resid   28 and name HD2*)                ! 0.1115  480:2  -----  4.80, 6.07 A
assign (resid   14 and name   HA) (resid   17 and name HG2*) 2.30 0.50 0.50 ! 0.3844  481:2  Ambig  2.59, 4.24 A
    or (resid    3 and name   HA) (resid   20 and name  HB*)                ! 0.3555  481:2  -----  2.63, 3.96 A
    or (resid   36 and name   HA) (resid   36 and name   HG)                ! 0.2283  481:2  -----  2.83, 2.97 A
assign (resid    9 and name  HA2) (resid   17 and name HG2*) 3.15 1.35 1.35 ! 0.9889  482:2  Long   2.25, 3.41 A
assign (resid   31 and name   HA) (resid   11 and name   HB) 2.65 0.85 0.85 ! 0.8839  483:2  Long   2.84, 3.01 A
assign (resid    3 and name   HA) (resid    1 and name HG2*) 3.65 1.85 1.85 ! 0.9413  484:2  Mid    4.17, 6.06 A
assign (resid   30 and name   HA) (resid   30 and name  HB2) 2.65 0.85 0.85 ! 0.9685  485:2  Intra  2.89, 2.91 A
assign (resid   24 and name   HA) (resid   24 and name HG2*) 2.65 0.85 0.85 ! 0.0000  487:2  Intra  2.37, 2.96 A
assign (resid    7 and name   HA) (resid    7 and name  HG2) 2.65 0.85 0.85 ! 0.9801  488:2  Intra  3.04, 3.15 A
assign (resid   36 and name   HA) (resid   36 and name HD2*) 2.30 0.50 0.50 ! 0.9936  489:2  Intra  2.04, 2.97 A
assign (resid   31 and name   HA) (resid   11 and name HG2*) 3.15 1.35 1.35 ! 0.0000  490:2  Long   4.94, 5.44 A
assign (resid   12 and name  HA1) (resid   11 and name HG2*) 2.65 0.85 0.85 ! 0.9418  491:2  Seq    3.48, 4.62 A
assign (resid   30 and name   HA) (resid   27 and name HG1*) 3.15 1.35 1.35 ! 0.0000  492:2  Mid    2.92, 3.24 A
assign (resid   20 and name   HA) (resid   20 and name  HB*) 2.30 0.50 0.50 ! 0.9298  493:2  Intra  2.41, 2.63 A
assign (resid    1 and name   HB) (resid   20 and name  HB*) 3.15 1.35 1.35 ! 0.9978  494:2  Long   2.21, 4.57 A
assign (resid   21 and name  HB*) (resid   20 and name  HB*) 3.15 1.35 1.35 ! 0.9441  495:2  Seq    4.03, 5.99 A
assign (resid    1 and name   HB) (resid    1 and name HG2*) 2.30 0.50 0.50 ! 0.9899  496:2  Intra  2.40, 2.64 A
assign (resid   20 and name   HA) (resid    1 and name HG2*) 2.65 0.85 0.85 ! 0.0000  497:2  Long   2.13, 2.75 A
assign (resid    1 and name   HA) (resid    1 and name HG2*) 2.65 0.85 0.85 ! 0.0000  498:2  Intra  2.31, 2.90 A
assign (resid   24 and name   HB) (resid   24 and name HG2*) 2.30 0.50 0.50 ! 0.0000  499:2  Intra  2.42, 2.64 A
assign (resid    5 and name   HA) (resid   36 and name HD2*) 3.15 1.35 1.35 ! 0.8621  500:2  Long   2.79, 3.76 A
assign (resid   18 and name   HA) (resid   18 and name HG2*) 2.30 0.50 0.50 ! 0.5027  501:2  Ambig  2.48, 3.14 A
    or (resid   18 and name   HA) (resid   18 and name HG1*)                ! 0.4853  501:2  -----  2.50, 3.15 A
assign (resid    1 and name   HA) (resid   18 and name HG1*) 3.15 1.35 1.35 ! 0.8002  502:2  Long   3.53, 4.51 A
assign (resid   27 and name   HA) (resid   27 and name HG2*) 2.30 0.50 0.50 ! 0.9682  503:2  Intra  2.48, 3.11 A
assign (resid   27 and name   HA) (resid   27 and name HG1*) 2.65 0.85 0.85 ! 0.0000  505:2  Intra  2.51, 3.14 A
assign (resid   11 and name   HA) (resid   11 and name   HB) 2.65 0.85 0.85 ! 0.0000  506:2  Intra  3.03, 3.04 A
assign (resid   30 and name  HD2) (resid   30 and name  HB2) 3.15 1.35 1.35 ! 0.0000  507:2  Intra  2.79, 2.94 A
assign (resid   11 and name   HA) (resid   11 and name HG12) 2.65 0.85 0.85 ! 0.0000  508:2  Intra  2.50, 2.56 A
assign (resid   11 and name   HA) (resid   11 and name HG2*) 2.30 0.50 0.50 ! 0.0000  509:2  Intra  2.54, 3.16 A
assign (resid   34 and name  HG1) (resid   36 and name HD2*) 3.15 1.35 1.35 ! 0.6715  512:2  Ambig  3.98, 4.75 A
    or (resid   34 and name  HG1) (resid   28 and name HD1*)                ! 0.3285  512:2  -----  4.48, 5.32 A
assign (resid   30 and name  HG2) (resid   30 and name  HB2) 2.65 0.85 0.85 ! 0.0000  513:2  Intra  2.33, 2.36 A
assign (resid   30 and name  HG1) (resid   30 and name  HB2) 3.15 1.35 1.35 ! 0.9071  514:2  Intra  2.99, 3.01 A
assign (resid   28 and name  HB2) (resid   28 and name HD1*) 2.65 0.85 0.85 ! 0.0000  515:2  Intra  2.41, 3.03 A
assign (resid   28 and name   HG) (resid   28 and name HD1*) 2.65 0.85 0.85 ! 0.5498  516:2  Ambig  2.36, 2.61 A
    or (resid   28 and name  HB1) (resid   28 and name HD1*)                ! 0.4475  516:2  -----  2.45, 3.12 A
assign (resid   18 and name   HB) (resid   18 and name HG1*) 2.30 0.50 0.50 ! 0.5233  517:2  Ambig  2.39, 2.64 A
    or (resid   18 and name   HB) (resid   18 and name HG2*)                ! 0.4767  517:2  -----  2.43, 2.64 A
assign (resid   28 and name   HG) (resid   28 and name HD2*) 2.65 0.85 0.85 ! 0.4845  518:2  Ambig  2.41, 2.62 A
    or (resid   28 and name  HB1) (resid   28 and name HD2*)                ! 0.4802  518:2  -----  2.41, 3.07 A
assign (resid   26 and name  HB2) (resid   36 and name HD1*) 2.30 0.50 0.50 ! 0.3974  519:2  Ambig  2.34, 3.65 A
    or (resid   27 and name   HB) (resid   27 and name HG2*)                ! 0.3448  519:2  -----  2.40, 2.62 A
    or (resid   26 and name  HB2) (resid   28 and name HD2*)                ! 0.2226  519:2  -----  2.58, 3.88 A
assign (resid   27 and name   HB) (resid   27 and name HG1*) 2.30 0.50 0.50 ! 0.9895  520:2  Intra  2.42, 2.64 A
assign (resid   36 and name  HB*) (resid   36 and name HD1*) 2.30 0.50 0.50 ! 0.9404  522:2  Intra  2.37, 3.08 A
assign (resid   11 and name HD1*) (resid   11 and name   HB) 2.65 0.85 0.85 ! 0.0000  523:2  Intra  2.54, 3.16 A
assign (resid   11 and name HD1*) (resid   11 and name HG2*) 2.30 0.50 0.50 ! 0.0000  525:2  Intra  2.00, 3.65 A
assign (resid    4 and name  HE1) (resid   23 and name HG2*) 3.65 1.85 1.85 ! 0.0000  526:2  Long   3.70, 4.74 A
assign (resid   23 and name   HN) (resid   23 and name HG2*) 3.65 1.85 1.85 ! 0.0000  527:2  Intra  2.61, 3.61 A
assign (resid   31 and name  HD*) (resid   11 and name HD1*) 3.15 1.35 1.35 ! 0.0000  528:2  Long   3.46, 5.41 A
assign (resid   31 and name  HE*) (resid   11 and name HD1*) 3.15 1.35 1.35 ! 0.0000  529:2  Long   2.90, 4.98 A
assign (resid    4 and name  HD2) (resid   23 and name HG2*) 2.65 0.85 0.85 ! 0.9734  530:2  Long   3.00, 3.73 A
assign (resid   23 and name   HA) (resid   23 and name HG2*) 2.65 0.85 0.85 ! 0.0000  531:2  Intra  2.49, 3.11 A
assign (resid   36 and name   HA) (resid   23 and name HG2*) 3.65 1.85 1.85 ! 0.6949  532:2  Ambig  3.93, 4.88 A
    or (resid    3 and name   HA) (resid   23 and name HG2*)                ! 0.2636  532:2  -----  4.61, 5.84 A
assign (resid    4 and name   HA) (resid   23 and name HG2*) 2.65 0.85 0.85 ! 0.9979  533:2  Long   2.24, 3.49 A
assign (resid   11 and name   HA) (resid   11 and name HD1*) 3.15 1.35 1.35 ! 0.0000  534:2  Intra  4.39, 4.65 A
assign (resid   23 and name   HB) (resid   23 and name HG2*) 2.30 0.50 0.50 ! 0.0000  535:2  Intra  2.39, 2.62 A
assign (resid    4 and name  HB1) (resid   23 and name HG2*) 3.15 1.35 1.35 ! 0.0000  536:2  Long   3.79, 4.65 A
assign (resid   35 and name  HB2) (resid   23 and name HG2*) 3.15 1.35 1.35 ! 0.0000  537:2  Long   3.70, 4.69 A
assign (resid    4 and name  HB2) (resid   23 and name HG2*) 2.65 0.85 0.85 ! 0.0000  538:2  Long   2.22, 3.19 A
assign (resid   30 and name  HB1) (resid   11 and name HD1*) 3.15 1.35 1.35 ! 0.0000  539:2  Long   2.40, 3.44 A
assign (resid   11 and name HG11) (resid   11 and name HD1*) 2.30 0.50 0.50 ! 0.0000  540:2  Intra  2.42, 2.63 A
assign (resid   34 and name  HB1) (resid   34 and name   HA) 2.65 0.85 0.85 ! 0.5042  541:2  Ambig  3.00, 3.02 A
    or (resid    2 and name  HB1) (resid    2 and name   HA)                ! 0.4898  541:2  -----  3.01, 3.03 A
assign (resid    2 and name  HB2) (resid    2 and name   HA) 2.65 0.85 0.85 ! 0.9980  542:2  Intra  2.47, 2.49 A
assign (resid    2 and name  HG2) (resid    2 and name   HA) 3.15 1.35 1.35 ! 0.6166  543:2  Ambig  3.72, 3.76 A
    or (resid    7 and name  HG1) (resid   34 and name   HA)                ! 0.2467  543:2  -----  4.33, 4.55 A
assign (resid   34 and name  HB2) (resid   34 and name   HA) 2.65 0.85 0.85 ! 0.9982  544:2  Intra  2.30, 2.40 A
assign (resid   34 and name  HG2) (resid   34 and name   HA) 2.65 0.85 0.85 ! 0.4776  545:2  Ambig  3.10, 3.23 A
    or (resid   16 and name  HG2) (resid    2 and name   HA)                ! 0.3293  545:2  -----  3.29, 4.17 A
assign (resid   34 and name  HG1) (resid   34 and name   HA) 2.65 0.85 0.85 ! 0.0000  546:2  Intra  2.57, 2.67 A
assign (resid   35 and name  HB1) (resid   36 and name   HN) 3.65 1.85 1.85 ! 0.9189  547:2  Seq    3.20, 3.28 A
assign (resid   25 and name  HB2) (resid   26 and name   HN) 3.65 1.85 1.85 ! 0.7317  548:2  Ambig  4.29, 4.40 A
    or (resid   25 and name  HB2) (resid   36 and name   HN)                ! 0.1627  548:2  -----  5.51, 5.72 A
assign (resid   33 and name  HB1) (resid   28 and name   HN) 3.65 1.85 1.85 ! 0.5183  549:2  Ambig  3.88, 4.24 A
    or (resid   33 and name  HB1) (resid   27 and name   HN)                ! 0.3148  549:2  -----  4.22, 4.50 A
assign (resid   31 and name  HB2) (resid   31 and name   HN) 3.15 1.35 1.35 ! 0.0000  550:2  Intra  2.31, 2.40 A
assign (resid   13 and name  HB2) (resid   10 and name   HN) 3.65 1.85 1.85 ! 0.7076  551:2  Ambig  2.86, 3.23 A
    or (resid   33 and name  HB2) (resid   10 and name   HN)                ! 0.1893  551:2  -----  3.56, 3.91 A
assign (resid   24 and name   HN) (resid   23 and name HG2*) 3.15 1.35 1.35 ! 0.0000  552:2  Seq    4.11, 4.76 A
assign (resid   24 and name   HN) (resid   24 and name HG2*) 3.15 1.35 1.35 ! 0.0000  553:2  Intra  3.19, 4.05 A
assign (resid   36 and name   HN) (resid   23 and name HG2*) 3.65 1.85 1.85 ! 0.8354  554:2  Long   5.06, 5.68 A
assign (resid   34 and name   HN) (resid   28 and name HD1*) 3.15 1.35 1.35 ! 0.5128  555:2  Ambig  3.82, 4.47 A
    or (resid   36 and name   HN) (resid   36 and name HD2*)                ! 0.3149  555:2  -----  4.14, 4.90 A
assign (resid   10 and name   HN) (resid    7 and name  HG2) 3.15 1.35 1.35 ! 0.7709  556:2  Ambig  2.92, 3.09 A
    or (resid   28 and name   HN) (resid   28 and name HD1*)                ! 0.1651  556:2  -----  3.77, 4.48 A
assign (resid   26 and name   HN) (resid   25 and name  HB2) 3.15 1.35 1.35 ! 0.7317  557:2  Ambig  4.29, 4.40 A
    or (resid   36 and name   HN) (resid   25 and name  HB2)                ! 0.1627  557:2  -----  5.51, 5.72 A
assign (resid   36 and name   HN) (resid   35 and name  HB1) 3.15 1.35 1.35 ! 0.7576  558:2  Ambig  3.20, 3.28 A
    or (resid   26 and name   HN) (resid   25 and name  HB1)                ! 0.1275  558:2  -----  4.31, 4.39 A
assign (resid   29 and name   HN) (resid   32 and name  HB1) 3.65 1.85 1.85 ! 0.9964  559:2  Mid    2.93, 3.42 A
assign (resid   28 and name   HN) (resid   33 and name  HB1) 3.65 1.85 1.85 ! 0.6221  560:2  Ambig  3.88, 4.24 A
    or (resid   27 and name   HN) (resid   33 and name  HB1)                ! 0.3779  560:2  -----  4.22, 4.50 A
assign (resid   24 and name   HN) (resid   24 and name   HB) 3.15 1.35 1.35 ! 0.9330  561:2  Intra  3.64, 3.71 A
assign (resid   31 and name   HN) (resid   31 and name  HD*) 3.65 1.85 1.85 ! 0.9919  562:2  Intra  2.07, 3.59 A
assign (resid   36 and name   HN) (resid   35 and name   HN) 3.15 1.35 1.35 ! 0.3554  563:2  Ambig  4.25, 4.32 A
    or (resid   34 and name   HN) (resid   35 and name   HN)                ! 0.3183  563:2  -----  4.33, 4.39 A
    or (resid   26 and name   HN) (resid   35 and name   HN)                ! 0.2674  563:2  -----  4.46, 4.56 A
assign (resid   34 and name   HN) (resid   28 and name   HN) 3.15 1.35 1.35 ! 0.6639  564:2  Ambig  3.33, 3.53 A
    or (resid   26 and name   HN) (resid   27 and name   HN)                ! 0.1600  564:2  -----  4.23, 4.31 A
assign (resid   36 and name   HN) (resid   24 and name   HN) 3.15 1.35 1.35 ! 0.9575  565:2  Long   2.50, 2.64 A
assign (resid   35 and name   HN) (resid   36 and name   HN) 3.65 1.85 1.85 ! 0.3622  566:2  Ambig  4.25, 4.32 A
    or (resid   35 and name   HN) (resid   34 and name   HN)                ! 0.3245  566:2  -----  4.33, 4.39 A
    or (resid   35 and name   HN) (resid   26 and name   HN)                ! 0.2726  566:2  -----  4.46, 4.56 A
assign (resid   35 and name   HN) (resid    5 and name   HA) 3.65 1.85 1.85 ! 0.7303  567:2  Ambig  3.90, 4.13 A
    or (resid   35 and name   HN) (resid    4 and name   HA)                ! 0.2572  567:2  -----  4.64, 4.81 A
assign (resid   10 and name   HN) (resid   13 and name  HB2) 3.65 1.85 1.85 ! 0.7108  568:2  Ambig  2.86, 3.23 A
    or (resid   10 and name   HN) (resid   33 and name  HB2)                ! 0.1901  568:2  -----  3.56, 3.91 A
assign (resid    8 and name   HN) (resid    7 and name  HG1) 3.65 1.85 1.85 ! 0.7355  569:2  Ambig  3.09, 3.34 A
    or (resid    8 and name   HN) (resid    2 and name  HG2)                ! 0.2588  569:2  -----  3.68, 4.09 A
assign (resid   13 and name   HN) (resid   13 and name  HB2) 3.15 1.35 1.35 ! 0.3654  570:2  Ambig  2.73, 2.90 A
    or (resid    8 and name   HN) (resid   33 and name  HB2)                ! 0.3493  570:2  -----  2.75, 3.01 A
    or (resid    8 and name   HN) (resid    8 and name  HB1)                ! 0.2813  570:2  -----  2.85, 2.95 A
assign (resid   32 and name   HN) (resid   31 and name  HB1) 3.65 1.85 1.85 ! 0.0000  571:2  Seq    3.72, 3.87 A
assign (resid   23 and name   HN) (resid   22 and name  HA2) 3.65 1.85 1.85 ! 0.0000  572:2  Seq    3.25, 3.38 A
assign (resid   32 and name   HN) (resid   10 and name  HA2) 3.65 1.85 1.85 ! 0.9436  573:2  Long   4.80, 4.94 A
assign (resid   11 and name   HN) (resid   10 and name  HA2) 3.65 1.85 1.85 ! 0.7761  574:2  Ambig  2.24, 2.39 A
    or (resid   11 and name   HN) (resid   11 and name   HA)                ! 0.2223  574:2  -----  2.76, 2.80 A
assign (resid   11 and name   HN) (resid   31 and name   HA) 3.65 1.85 1.85 ! 0.0000  575:2  Long   1.80, 1.96 A
assign (resid   23 and name   HN) (resid   21 and name   HA) 3.65 1.85 1.85 ! 0.0000  576:2  Mid    3.22, 3.42 A
assign (resid   23 and name   HN) (resid   22 and name  HA1) 3.65 1.85 1.85 ! 0.0000  577:2  Seq    2.97, 3.11 A
assign (resid    8 and name   HN) (resid    8 and name   HA) 3.65 1.85 1.85 ! 0.8975  578:2  Intra  2.92, 2.94 A
assign (resid    8 and name   HN) (resid    9 and name   HN) 3.15 1.35 1.35 ! 0.9562  579:2  Seq    2.10, 2.46 A
assign (resid   32 and name   HN) (resid   33 and name   HN) 3.65 1.85 1.85 ! 0.8784  580:2  Seq    4.23, 4.28 A
assign (resid   32 and name   HN) (resid   32 and name  HD*) 3.65 1.85 1.85 ! 0.0000  581:2  Intra  4.70, 4.81 A
assign (resid   32 and name   HN) (resid   29 and name HD22) 3.65 1.85 1.85 ! 0.6866  582:2  Ambig  3.34, 4.35 A
    or (resid   32 and name   HN) (resid   31 and name  HD*)                ! 0.2756  582:2  -----  3.89, 5.00 A
assign (resid    7 and name HE21) (resid    7 and name  HG1) 3.65 1.85 1.85 ! 0.0000  583:2  Intra  2.31, 2.35 A
assign (resid   13 and name  HD*) (resid    9 and name  HA1) 3.15 1.35 1.35 ! 0.8155  584:2  Mid    3.45, 5.82 A
assign (resid   26 and name HE21) (resid   26 and name  HG2) 3.65 1.85 1.85 ! 0.9757  585:2  Intra  2.13, 2.64 A
assign (resid    7 and name HE21) (resid    7 and name  HG2) 3.65 1.85 1.85 ! 0.0000  586:2  Intra  2.90, 2.96 A
assign (resid    5 and name  HD*) (resid   34 and name  HG2) 3.65 1.85 1.85 ! 0.7658  587:2  Ambig  3.57, 5.30 A
    or (resid    4 and name  HD2) (resid   34 and name  HG2)                ! 0.2210  587:2  -----  4.39, 4.58 A
assign (resid   31 and name  HE*) (resid   12 and name  HA1) 3.65 1.85 1.85 ! 0.7235  588:2  Ambig  4.11, 6.99 A
    or (resid   31 and name  HE*) (resid   31 and name   HA)                ! 0.2765  588:2  -----  4.82, 5.34 A
assign (resid   32 and name  HD*) (resid    7 and name   HA) 3.65 1.85 1.85 ! 0.6822  589:2  Ambig  4.16, 5.54 A
    or (resid   32 and name  HD*) (resid   10 and name  HA1)                ! 0.3178  589:2  -----  4.73, 6.71 A
assign (resid   32 and name  HE*) (resid   32 and name   HA) 3.65 1.85 1.85 ! 0.0000  590:2  Intra  4.50, 5.25 A
assign (resid   32 and name  HD*) (resid   29 and name   HN) 3.65 1.85 1.85 ! 0.6290  591:2  Ambig  3.64, 5.32 A
    or (resid   32 and name  HD*) (resid   28 and name   HN)                ! 0.3404  591:2  -----  4.03, 5.59 A
assign (resid   32 and name  HD*) (resid   32 and name   HN) 3.65 1.85 1.85 ! 0.0000  592:2  Intra  4.70, 4.81 A
assign (resid    5 and name  HE*) (resid    4 and name  HE1) 3.65 1.85 1.85 ! 0.0000  593:2  Seq    3.46, 5.12 A
assign (resid    4 and name  HD2) (resid    4 and name  HE1) 3.65 1.85 1.85 ! 0.5303  594:2  Ambig  4.21, 4.22 A
    or (resid    5 and name  HD*) (resid    4 and name  HE1)                ! 0.2285  594:2  -----  4.84, 6.30 A
    or (resid    4 and name  HD2) (resid   35 and name   HN)                ! 0.1900  594:2  -----  4.99, 5.09 A
assign (resid    4 and name  HD2) (resid   36 and name   HN) 3.65 1.85 1.85 ! 0.8930  595:2  Long   4.11, 4.29 A
assign (resid   33 and name   HA) (resid   27 and name HG1*) 3.15 1.35 1.35 ! 0.0000  596:2  Long   3.93, 4.91 A
assign (resid   33 and name   HA) (resid   28 and name HD1*) 3.15 1.35 1.35 ! 0.9062  597:2  Long   3.97, 5.06 A
assign (resid    8 and name   HA) (resid    7 and name  HG2) 3.65 1.85 1.85 ! 0.9004  598:2  Seq    4.12, 4.37 A
assign (resid   35 and name   HA) (resid   36 and name HD1*) 3.65 1.85 1.85 ! 0.0000  599:2  Seq    5.39, 6.16 A
assign (resid   29 and name   HA) (resid   28 and name HD2*) 3.65 1.85 1.85 ! 0.5305  600:2  Ambig  6.60, 7.25 A
    or (resid   29 and name   HA) (resid   27 and name HG2*)                ! 0.4695  600:2  -----  6.73, 7.42 A
assign (resid   35 and name   HA) (resid   36 and name   HG) 3.65 1.85 1.85 ! 0.0000  601:2  Seq    3.87, 4.01 A
assign (resid   35 and name   HA) (resid   36 and name  HB*) 3.15 1.35 1.35 ! 0.8650  602:2  Seq    4.34, 4.99 A
assign (resid    8 and name   HA) (resid    2 and name  HG1) 3.65 1.85 1.85 ! 0.0000  604:2  Long   3.81, 4.04 A
assign (resid   35 and name   HA) (resid   19 and name  HB1) 3.65 1.85 1.85 ! 0.0000  605:2  Long   3.74, 3.86 A
assign (resid    8 and name   HA) (resid    9 and name   HN) 3.65 1.85 1.85 ! 0.9605  606:2  Seq    3.17, 3.30 A
assign (resid    8 and name   HA) (resid    8 and name   HN) 3.65 1.85 1.85 ! 0.0000  607:2  Intra  2.92, 2.94 A
assign (resid    4 and name   HA) (resid    5 and name   HN) 3.65 1.85 1.85 ! 0.9577  608:2  Seq    2.14, 2.15 A
assign (resid    7 and name   HA) (resid   35 and name   HN) 3.65 1.85 1.85 ! 0.8507  609:2  Long   3.86, 3.99 A
assign (resid   31 and name   HA) (resid   31 and name   HN) 3.65 1.85 1.85 ! 0.9966  610:2  Intra  2.88, 2.90 A
assign (resid    5 and name   HA) (resid   35 and name   HN) 3.65 1.85 1.85 ! 0.6720  611:2  Ambig  3.90, 4.13 A
    or (resid    4 and name   HA) (resid   35 and name   HN)                ! 0.2367  611:2  -----  4.64, 4.81 A
assign (resid    3 and name  HB1) (resid    3 and name   HN) 3.65 1.85 1.85 ! 0.9029  612:2  Intra  2.42, 2.55 A
assign (resid   10 and name  HA2) (resid   32 and name   HN) 3.65 1.85 1.85 ! 0.0000  613:2  Long   4.80, 4.94 A
assign (resid    9 and name  HA2) (resid    9 and name   HN) 3.15 1.35 1.35 ! 0.9873  614:2  Intra  2.63, 2.71 A
assign (resid   32 and name   HA) (resid   32 and name  HE*) 3.65 1.85 1.85 ! 0.0000  615:2  Intra  4.50, 5.25 A
assign (resid   15 and name  HA2) (resid   13 and name  HE*) 3.15 1.35 1.35 ! 0.4269  616:2  Ambig  4.51, 5.23 A
    or (resid    5 and name   HA) (resid    5 and name  HE*)                ! 0.3538  616:2  -----  4.66, 5.26 A
    or (resid    5 and name   HA) (resid   32 and name  HE*)                ! 0.1201  616:2  -----  5.57, 6.68 A
assign (resid    3 and name   HA) (resid    3 and name  HB2) 2.65 0.85 0.85 ! 0.9713  618:2  Intra  2.35, 2.44 A
assign (resid  101 and name   H1) (resid    3 and name  HB2) 3.15 1.35 1.35 ! 0.0000  619:2  Long   3.41, 3.52 A
assign (resid    5 and name   HA) (resid    5 and name  HB2) 2.65 0.85 0.85 ! 0.9383  620:2  Intra  3.01, 3.03 A
assign (resid    6 and name  HA2) (resid    2 and name  HG1) 3.15 1.35 1.35 ! 0.0000  621:2  Mid    3.95, 4.32 A
assign (resid   24 and name   HB) (resid   26 and name  HG2) 3.65 1.85 1.85 ! 0.8663  622:2  Mid    3.37, 4.07 A
assign (resid   30 and name  HD1) (resid   30 and name  HB1) 3.65 1.85 1.85 ! 0.0000  623:2  Intra  4.04, 4.08 A
assign (resid   30 and name   HA) (resid   11 and name HD1*) 3.15 1.35 1.35 ! 0.0000  627:2  Long   4.03, 4.81 A
assign (resid   22 and name  HA1) (resid   23 and name HG2*) 3.15 1.35 1.35 ! 0.0000  628:2  Seq    3.54, 4.57 A
assign (resid   31 and name   HA) (resid   11 and name HD1*) 3.65 1.85 1.85 ! 0.0000  629:2  Long   3.08, 4.89 A
assign (resid   12 and name  HA2) (resid   11 and name HG2*) 3.15 1.35 1.35 ! 0.0000  630:2  Seq    3.83, 4.82 A
assign (resid   33 and name  HB1) (resid   27 and name HG2*) 3.65 1.85 1.85 ! 0.9923  631:2  Long   2.71, 3.90 A
assign (resid   19 and name  HB1) (resid   23 and name HG2*) 3.65 1.85 1.85 ! 0.0000  632:2  Mid    4.36, 4.87 A
assign (resid   13 and name  HB2) (resid    7 and name  HG2) 3.65 1.85 1.85 ! 0.5051  633:2  Ambig  3.71, 4.17 A
    or (resid   33 and name  HB2) (resid    7 and name  HG2)                ! 0.4088  633:2  -----  3.84, 4.05 A
assign (resid   29 and name  HB*) (resid   28 and name  HB2) 3.65 1.85 1.85 ! 0.7280  634:2  Ambig  3.89, 4.83 A
    or (resid   29 and name  HB*) (resid   30 and name  HG1)                ! 0.2586  634:2  -----  4.62, 5.34 A
assign (resid   29 and name  HB*) (resid   30 and name  HG2) 3.65 1.85 1.85 ! 0.0000  635:2  Seq    4.37, 5.18 A
assign (resid    8 and name  HB1) (resid    2 and name  HB1) 3.15 1.35 1.35 ! 0.8829  636:2  Long   3.01, 3.45 A
assign (resid    8 and name  HB1) (resid   16 and name  HB2) 3.65 1.85 1.85 ! 0.4536  637:2  Ambig  5.26, 6.03 A
    or (resid   33 and name  HB2) (resid   28 and name   HG)                ! 0.2442  637:2  -----  5.83, 6.30 A
    or (resid   32 and name  HB2) (resid   28 and name  HB1)                ! 0.1802  637:2  -----  6.13, 6.34 A
assign (resid    8 and name  HB1) (resid    2 and name  HG2) 3.65 1.85 1.85 ! 0.8448  638:2  Long   2.53, 3.03 A
assign (resid   35 and name  HB2) (resid    2 and name  HG2) 3.15 1.35 1.35 ! 0.5199  639:2  Ambig  4.71, 4.92 A
    or (resid   35 and name  HB2) (resid   19 and name  HB2)                ! 0.3459  639:2  -----  5.04, 5.08 A
assign (resid    6 and name  HA1) (resid    2 and name  HG2) 3.65 1.85 1.85 ! 0.9908  640:2  Mid    3.14, 3.52 A
assign (resid   25 and name  HB2) (resid    8 and name  HB2) 3.15 1.35 1.35 ! 0.0000  641:2  Long   2.38, 2.67 A
assign (resid   35 and name  HB1) (resid   19 and name  HB1) 3.15 1.35 1.35 ! 0.0000  642:2  Long   2.09, 2.15 A
assign (resid   35 and name  HB2) (resid   19 and name  HB1) 3.15 1.35 1.35 ! 0.0000  643:2  Long   3.46, 3.50 A
assign (resid   35 and name  HB1) (resid   23 and name   HB) 3.15 1.35 1.35 ! 0.0000  644:2  Long   2.11, 2.22 A
assign (resid   33 and name  HB2) (resid   27 and name   HA) 3.65 1.85 1.85 ! 0.9424  645:2  Long   3.98, 4.18 A
assign (resid    8 and name  HB2) (resid   17 and name   HA) 3.15 1.35 1.35 ! 0.0000  646:2  Long   2.73, 3.20 A
assign (resid   19 and name  HB1) (resid   35 and name   HA) 3.65 1.85 1.85 ! 0.0000  647:2  Long   3.74, 3.86 A
assign (resid    2 and name  HG1) (resid    6 and name  HA2) 3.65 1.85 1.85 ! 0.7142  648:2  Ambig  3.95, 4.32 A
    or (resid    2 and name  HG1) (resid    3 and name  HB2)                ! 0.1460  648:2  -----  5.14, 5.62 A
assign (resid    2 and name  HG1) (resid    2 and name   HA) 3.65 1.85 1.85 ! 0.9525  649:2  Intra  3.13, 3.24 A
assign (resid   15 and name  HA1) (resid   13 and name  HE*) 3.65 1.85 1.85 ! 0.0000  650:2  Mid    2.87, 3.72 A
assign (resid   30 and name  HD2) (resid   31 and name  HD*) 3.65 1.85 1.85 ! 0.9895  651:2  Seq    2.70, 4.99 A
assign (resid   23 and name   HB) (resid    4 and name  HD2) 3.65 1.85 1.85 ! 0.9789  652:2  Long   3.04, 3.36 A
assign (resid   29 and name  HB*) (resid   29 and name HD22) 3.65 1.85 1.85 ! 0.5946  653:2  Ambig  3.42, 3.76 A
    or (resid   29 and name  HB*) (resid   31 and name  HD*)                ! 0.4054  653:2  -----  3.64, 6.48 A
assign (resid   31 and name  HB1) (resid   32 and name   HN) 3.65 1.85 1.85 ! 0.0000  654:2  Seq    3.72, 3.87 A
assign (resid   31 and name  HB1) (resid   31 and name   HN) 3.65 1.85 1.85 ! 0.0000  655:2  Intra  3.55, 3.56 A
assign (resid   22 and name  HA2) (resid   23 and name   HN) 3.65 1.85 1.85 ! 0.0000  656:2  Seq    3.25, 3.38 A
assign (resid   29 and name  HB*) (resid   32 and name   HN) 3.65 1.85 1.85 ! 0.0000  657:2  Mid    1.80, 3.39 A
assign (resid   26 and name  HG2) (resid   26 and name   HN) 3.15 1.35 1.35 ! 0.6708  658:2  Ambig  2.06, 2.92 A
    or (resid   26 and name  HG2) (resid   36 and name   HN)                ! 0.2975  658:2  -----  2.36, 3.75 A
assign (resid   32 and name  HB1) (resid   29 and name   HN) 3.65 1.85 1.85 ! 0.8894  659:2  Mid    2.93, 3.42 A
assign (resid   28 and name   HG) (resid   34 and name   HN) 3.65 1.85 1.85 ! 0.9107  660:2  Long   2.53, 2.98 A
assign (resid   34 and name  HB1) (resid   35 and name   HN) 3.65 1.85 1.85 ! 0.0000  661:2  Seq    4.10, 4.24 A
assign (resid    7 and name  HG1) (resid    8 and name   HN) 3.65 1.85 1.85 ! 0.7355  662:2  Ambig  3.09, 3.34 A
    or (resid    2 and name  HG2) (resid    8 and name   HN)                ! 0.2588  662:2  -----  3.68, 4.09 A
assign (resid    7 and name  HG1) (resid   32 and name  HD*) 3.65 1.85 1.85 ! 0.0000  663:2  Long   2.60, 4.58 A
assign (resid    7 and name  HG1) (resid   32 and name  HE*) 3.15 1.35 1.35 ! 0.6824  664:2  Ambig  3.29, 5.14 A
    or (resid    2 and name  HG2) (resid   13 and name  HE*)                ! 0.2333  664:2  -----  3.93, 5.67 A
assign (resid   32 and name  HB1) (resid   32 and name  HE*) 3.65 1.85 1.85 ! 0.0000  665:2  Intra  4.54, 5.03 A
assign (resid   32 and name  HB1) (resid   33 and name   HN) 3.65 1.85 1.85 ! 0.9703  666:2  Seq    4.23, 4.30 A
assign (resid   16 and name  HB2) (resid   13 and name  HE*) 3.65 1.85 1.85 ! 0.4334  667:2  Ambig  3.77, 5.63 A
    or (resid   28 and name   HG) (resid   32 and name  HE*)                ! 0.3124  667:2  -----  3.98, 5.91 A
    or (resid   28 and name  HB1) (resid   32 and name  HE*)                ! 0.2542  667:2  -----  4.12, 6.36 A
assign (resid   28 and name  HB2) (resid   33 and name   HA) 3.15 1.35 1.35 ! 0.9212  668:2  Long   3.44, 3.81 A
assign (resid   28 and name   HG) (resid   33 and name   HA) 3.15 1.35 1.35 ! 0.9631  669:2  Long   2.91, 3.37 A
assign (resid   30 and name  HG1) (resid   29 and name   HA) 3.15 1.35 1.35 ! 0.6314  670:2  Ambig  4.11, 4.17 A
    or (resid   28 and name  HB2) (resid   29 and name   HA)                ! 0.3686  670:2  -----  4.50, 4.78 A
assign (resid   30 and name  HG2) (resid   29 and name   HA) 3.65 1.85 1.85 ! 0.0000  671:2  Seq    4.72, 4.82 A
assign (resid    2 and name  HG2) (resid    8 and name   HA) 3.65 1.85 1.85 ! 0.9852  672:2  Long   2.15, 2.43 A
assign (resid   28 and name   HG) (resid   27 and name   HA) 3.65 1.85 1.85 ! 0.8381  673:2  Seq    3.79, 3.97 A
assign (resid   16 and name  HB2) (resid    1 and name   HA) 3.65 1.85 1.85 ! 0.0000  675:2  Long   4.17, 4.96 A
assign (resid   16 and name  HB2) (resid   16 and name  HD2) 3.15 1.35 1.35 ! 0.0000  676:2  Intra  3.78, 4.00 A
assign (resid   16 and name  HB1) (resid   16 and name  HD2) 3.15 1.35 1.35 ! 0.0000  677:2  Intra  3.92, 3.97 A
assign (resid   16 and name  HB1) (resid   16 and name  HD1) 3.15 1.35 1.35 ! 0.9736  678:2  Intra  2.93, 3.09 A
assign (resid    2 and name  HG2) (resid    6 and name  HA1) 3.15 1.35 1.35 ! 0.9908  679:2  Mid    3.14, 3.52 A
assign (resid   30 and name  HG2) (resid   29 and name  HB*) 3.15 1.35 1.35 ! 0.0000  680:2  Seq    4.37, 5.18 A
assign (resid   28 and name  HB2) (resid   29 and name  HB*) 3.15 1.35 1.35 ! 0.7379  681:2  Ambig  3.89, 4.83 A
    or (resid   30 and name  HG1) (resid   29 and name  HB*)                ! 0.2621  681:2  -----  4.62, 5.34 A
assign (resid   28 and name  HB1) (resid   29 and name  HB*) 3.65 1.85 1.85 ! 0.8676  682:2  Seq    4.36, 5.34 A
assign (resid    2 and name  HB1) (resid    8 and name  HB1) 3.15 1.35 1.35 ! 0.9040  683:2  Long   3.01, 3.45 A
assign (resid    2 and name  HG2) (resid   35 and name  HB2) 3.15 1.35 1.35 ! 0.5199  684:2  Ambig  4.71, 4.92 A
    or (resid   19 and name  HB2) (resid   35 and name  HB2)                ! 0.3459  684:2  -----  5.04, 5.08 A
assign (resid   26 and name  HB1) (resid   26 and name  HG1) 2.65 0.85 0.85 ! 0.0000  685:2  Intra  2.44, 2.72 A
assign (resid   16 and name  HB1) (resid   16 and name  HG1) 2.30 0.50 0.50 ! 0.8090  686:2  Intra  2.25, 2.28 A
assign (resid   26 and name  HG1) (resid   26 and name  HB2) 2.65 0.85 0.85 ! 0.9983  687:2  Intra  2.25, 2.32 A
assign (resid   26 and name  HG1) (resid   26 and name  HB1) 2.65 0.85 0.85 ! 0.0000  688:2  Intra  2.44, 2.72 A
assign (resid   26 and name  HG1) (resid   36 and name  HB*) 3.15 1.35 1.35 ! 0.9995  689:2  Long   1.91, 3.45 A
assign (resid   34 and name  HG2) (resid   36 and name   HG) 3.15 1.35 1.35 ! 0.9964  690:2  Mid    2.07, 2.33 A
assign (resid   34 and name  HG1) (resid   36 and name   HG) 3.15 1.35 1.35 ! 0.0000  691:2  Mid    3.82, 4.06 A
assign (resid   34 and name  HB1) (resid   36 and name   HG) 3.15 1.35 1.35 ! 0.9716  692:2  Mid    2.75, 3.13 A
assign (resid   26 and name  HG2) (resid   26 and name  HB1) 2.30 0.50 0.50 ! 0.6535  693:2  Ambig  2.36, 2.66 A
    or (resid   30 and name  HB1) (resid   30 and name  HG2)                ! 0.3444  693:2  -----  2.63, 2.68 A
assign (resid    7 and name  HB1) (resid    7 and name  HG2) 3.15 1.35 1.35 ! 0.0000  694:2  Intra  2.43, 2.46 A
assign (resid   36 and name   HG) (resid   36 and name HD1*) 2.30 0.50 0.50 ! 0.5254  695:2  Ambig  2.36, 2.62 A
    or (resid   36 and name   HG) (resid   36 and name HD2*)                ! 0.4722  695:2  -----  2.41, 2.63 A
assign (resid   36 and name  HB*) (resid   36 and name   HG) 2.30 0.50 0.50 ! 0.9612  696:2  Intra  2.50, 2.77 A
assign (resid   11 and name   HB) (resid   11 and name HG2*) 2.30 0.50 0.50 ! 0.0000  697:2  Intra  2.40, 2.63 A
assign (resid   11 and name   HB) (resid   11 and name HD1*) 2.65 0.85 0.85 ! 0.0000  698:2  Intra  2.54, 3.16 A
assign (resid   36 and name   HG) (resid   36 and name  HB*) 2.30 0.50 0.50 ! 0.9612  700:2  Intra  2.50, 2.77 A
assign (resid   36 and name HD2*) (resid   36 and name  HB*) 2.30 0.50 0.50 ! 0.6352  702:2  Ambig  2.39, 3.45 A
    or (resid   28 and name HD1*) (resid   34 and name  HB2)                ! 0.3481  702:2  -----  2.64, 3.59 A
assign (resid   30 and name  HB2) (resid   30 and name  HG2) 2.65 0.85 0.85 ! 0.0000  704:2  Intra  2.33, 2.36 A
assign (resid   36 and name   HG) (resid   34 and name  HG2) 2.65 0.85 0.85 ! 0.9949  705:2  Mid    2.07, 2.33 A
assign (resid   36 and name  HB*) (resid   26 and name  HG1) 3.15 1.35 1.35 ! 0.9995  706:2  Long   1.91, 3.45 A
assign (resid   28 and name HD1*) (resid   32 and name  HB2) 3.65 1.85 1.85 ! 0.7691  707:2  Ambig  5.44, 6.59 A
    or (resid   28 and name HD1*) (resid   33 and name  HB2)                ! 0.2309  707:2  -----  6.64, 7.75 A
assign (resid   28 and name HD1*) (resid   32 and name  HB1) 3.65 1.85 1.85 ! 0.0000  708:2  Mid    4.16, 5.33 A
assign (resid   36 and name HD1*) (resid   26 and name  HG1) 3.15 1.35 1.35 ! 0.9783  709:2  Long   1.92, 3.98 A
assign (resid   36 and name HD2*) (resid    5 and name  HB1) 3.65 1.85 1.85 ! 0.6144  710:2  Ambig  4.58, 5.30 A
    or (resid   36 and name HD2*) (resid   35 and name  HB2)                ! 0.3307  710:2  -----  5.08, 6.30 A
assign (resid   20 and name  HB*) (resid    4 and name  HB2) 3.65 1.85 1.85 ! 0.6223  711:2  Ambig  4.28, 5.47 A
    or (resid   17 and name HG2*) (resid   13 and name  HB1)                ! 0.3777  711:2  -----  4.65, 5.70 A
assign (resid   17 and name HG2*) (resid    8 and name  HB2) 3.65 1.85 1.85 ! 0.7549  712:2  Ambig  4.31, 5.52 A
    or (resid   17 and name HG2*) (resid   16 and name  HD2)                ! 0.2451  712:2  -----  5.20, 6.56 A
assign (resid   27 and name HG2*) (resid   33 and name  HB1) 3.65 1.85 1.85 ! 0.9923  713:2  Long   2.71, 3.90 A
assign (resid   17 and name HG2*) (resid   15 and name  HA1) 3.65 1.85 1.85 ! 0.4380  714:2  Ambig  4.18, 5.63 A
    or (resid   20 and name  HB*) (resid   19 and name  HB1)                ! 0.3394  714:2  -----  4.36, 5.36 A
    or (resid   17 and name HG2*) (resid   14 and name  HB1)                ! 0.1931  714:2  -----  4.79, 6.43 A
assign (resid   30 and name  HB2) (resid   30 and name  HD2) 3.15 1.35 1.35 ! 0.0000  715:2  Intra  2.79, 2.94 A
assign (resid   17 and name HG2*) (resid    9 and name  HA1) 3.15 1.35 1.35 ! 0.9531  716:2  Long   2.29, 3.94 A
assign (resid   34 and name  HB2) (resid    5 and name   HA) 3.65 1.85 1.85 ! 0.6123  717:2  Ambig  4.29, 4.66 A
    or (resid   36 and name  HB*) (resid   24 and name   HB)                ! 0.1432  717:2  -----  5.47, 6.50 A
    or (resid   36 and name  HB*) (resid    5 and name   HA)                ! 0.1027  717:2  -----  5.78, 6.16 A
assign (resid   34 and name  HB2) (resid    7 and name   HA) 3.15 1.35 1.35 ! 0.0000  718:2  Long   3.24, 3.61 A
assign (resid    7 and name  HG2) (resid    7 and name   HA) 3.15 1.35 1.35 ! 0.7429  719:2  Ambig  3.04, 3.15 A
    or (resid    7 and name  HG2) (resid   10 and name  HA1)                ! 0.2348  719:2  -----  3.69, 4.22 A
assign (resid   18 and name HG1*) (resid    1 and name   HA) 3.15 1.35 1.35 ! 0.8002  720:2  Long   3.53, 4.51 A
assign (resid   11 and name HG12) (resid   11 and name   HA) 2.65 0.85 0.85 ! 0.9838  721:2  Intra  2.50, 2.56 A
assign (resid   36 and name HD2*) (resid    5 and name  HB2) 3.65 1.85 1.85 ! 0.0000  722:2  Long   5.11, 5.95 A
assign (resid   27 and name HG2*) (resid   30 and name   HA) 3.65 1.85 1.85 ! 0.8518  724:2  Mid    5.07, 5.62 A
assign (resid   24 and name HG2*) (resid   23 and name   HA) 3.65 1.85 1.85 ! 0.0000  725:2  Seq    3.75, 4.97 A
assign (resid   24 and name HG2*) (resid   25 and name   HA) 3.65 1.85 1.85 ! 0.6858  726:2  Ambig  6.13, 6.73 A
    or (resid   24 and name HG2*) (resid   26 and name   HA)                ! 0.3142  726:2  -----  6.98, 7.67 A
assign (resid   11 and name   HB) (resid   31 and name   HA) 3.15 1.35 1.35 ! 0.0000  727:2  Long   2.84, 3.01 A
assign (resid   36 and name HD1*) (resid   36 and name   HA) 3.15 1.35 1.35 ! 0.0000  728:2  Intra  4.45, 4.66 A
assign (resid   27 and name HG2*) (resid   26 and name   HA) 3.15 1.35 1.35 ! 0.8439  729:2  Seq    3.48, 4.70 A
assign (resid   11 and name HG2*) (resid   12 and name  HA1) 3.15 1.35 1.35 ! 0.8450  730:2  Seq    3.48, 4.62 A
assign (resid   17 and name HG2*) (resid    8 and name   HA) 3.65 1.85 1.85 ! 0.5999  731:2  Ambig  3.20, 4.86 A
    or (resid   17 and name HG2*) (resid   15 and name   HN)                ! 0.4001  731:2  -----  3.43, 4.75 A
assign (resid   28 and name HD1*) (resid   33 and name   HA) 3.65 1.85 1.85 ! 0.0000  732:2  Long   3.97, 5.06 A
assign (resid   27 and name HG2*) (resid   33 and name   HA) 3.65 1.85 1.85 ! 0.7331  733:2  Ambig  3.88, 4.97 A
    or (resid   28 and name HD2*) (resid   33 and name   HA)                ! 0.2669  733:2  -----  4.59, 5.80 A
assign (resid   36 and name  HB*) (resid   35 and name   HA) 3.65 1.85 1.85 ! 0.8650  734:2  Seq    4.34, 4.99 A
assign (resid   17 and name HG2*) (resid   17 and name   HA) 2.65 0.85 0.85 ! 0.9952  735:2  Intra  2.36, 2.96 A
assign (resid   28 and name HD1*) (resid   28 and name   HA) 3.15 1.35 1.35 ! 0.9138  736:2  Intra  4.34, 4.68 A
assign (resid   36 and name HD1*) (resid    5 and name  HE*) 3.15 1.35 1.35 ! 0.5603  737:2  Ambig  4.89, 7.21 A
    or (resid   28 and name HD2*) (resid   32 and name  HE*)                ! 0.4397  737:2  -----  5.09, 7.43 A
assign (resid   11 and name   HB) (resid   31 and name  HE*) 3.15 1.35 1.35 ! 0.0000  738:2  Long   2.72, 4.11 A
assign (resid    7 and name  HG2) (resid    9 and name   HN) 3.15 1.35 1.35 ! 0.9240  739:2  Mid    2.08, 2.36 A
assign (resid   11 and name HG2*) (resid   31 and name  HD*) 3.15 1.35 1.35 ! 0.0000  740:2  Long   3.21, 5.65 A
assign (resid   28 and name HD2*) (resid   32 and name  HD*) 3.15 1.35 1.35 ! 0.0000  741:2  Mid    5.09, 7.37 A
assign (resid   36 and name   HG) (resid    4 and name  HD2) 3.65 1.85 1.85 ! 0.3823  742:2  Ambig  4.36, 4.57 A
    or (resid   36 and name   HG) (resid    5 and name  HD*)                ! 0.3190  742:2  -----  4.49, 6.17 A
    or (resid   36 and name   HG) (resid   26 and name HE22)                ! 0.2555  742:2  -----  4.66, 5.52 A
assign (resid   34 and name  HB2) (resid   32 and name  HD*) 3.65 1.85 1.85 ! 0.0000  743:2  Mid    3.81, 4.70 A
assign (resid    7 and name  HG2) (resid    7 and name HE21) 3.65 1.85 1.85 ! 0.0000  744:2  Intra  2.90, 2.96 A
assign (resid   28 and name HD1*) (resid   28 and name   HN) 3.65 1.85 1.85 ! 0.7209  745:2  Ambig  3.77, 4.48 A
    or (resid   28 and name HD1*) (resid   29 and name   HN)                ! 0.2615  745:2  -----  4.46, 5.49 A
assign (resid   34 and name  HB2) (resid   35 and name   HN) 3.65 1.85 1.85 ! 0.8131  746:2  Seq    3.96, 4.17 A
assign (resid   24 and name HG2*) (resid   24 and name   HN) 3.65 1.85 1.85 ! 0.0000  747:2  Intra  3.19, 4.05 A
assign (resid   23 and name HG2*) (resid   24 and name   HN) 3.65 1.85 1.85 ! 0.5031  748:2  Ambig  4.11, 4.76 A
    or (resid   23 and name HG2*) (resid    5 and name   HN)                ! 0.4969  748:2  -----  4.12, 5.12 A
assign (resid   23 and name HG2*) (resid   36 and name   HN) 3.65 1.85 1.85 ! 0.8354  749:2  Long   5.06, 5.68 A
assign (resid   23 and name HG2*) (resid   23 and name   HN) 3.65 1.85 1.85 ! 0.0000  750:2  Intra  2.61, 3.61 A
assign (resid   11 and name HD1*) (resid   31 and name  HD*) 3.65 1.85 1.85 ! 0.0000  751:2  Long   3.46, 5.41 A
assign (resid   27 and name HG1*) (resid   33 and name   HA) 3.65 1.85 1.85 ! 0.0000  752:2  Long   3.93, 4.91 A
assign (resid   11 and name HD1*) (resid   31 and name   HA) 3.65 1.85 1.85 ! 0.0000  753:2  Long   3.08, 4.89 A
assign (resid   11 and name HD1*) (resid   30 and name   HA) 3.65 1.85 1.85 ! 0.0000  754:2  Long   4.03, 4.81 A
assign (resid   23 and name HG2*) (resid   22 and name  HA1) 3.65 1.85 1.85 ! 0.0000  755:2  Seq    3.54, 4.57 A
assign (resid   23 and name HG2*) (resid   19 and name  HB1) 3.65 1.85 1.85 ! 0.5995  756:2  Ambig  4.36, 4.87 A
    or (resid   23 and name HG2*) (resid   22 and name  HA2)                ! 0.4005  756:2  -----  4.66, 5.62 A
assign (resid   27 and name HG1*) (resid   29 and name  HB*) 3.65 1.85 1.85 ! 0.0000  757:2  Mid    5.26, 6.18 A
assign (resid   23 and name HG2*) (resid   20 and name  HB*) 3.15 1.35 1.35 ! 0.9882  758:2  Mid    3.22, 5.09 A
assign (resid   25 and name  HB1) (resid   26 and name   HN) 3.65 1.85 1.85 ! 0.7262  759:2  Ambig  4.31, 4.39 A
    or (resid   25 and name  HB1) (resid   36 and name   HN)                ! 0.0920  759:2  -----  6.08, 6.30 A
assign (resid   10 and name  HA1) (resid   33 and name   HN) 3.65 1.85 1.85 ! 0.6651  760:2  Ambig  3.30, 3.68 A
    or (resid   12 and name  HA1) (resid   31 and name  HE*)                ! 0.1776  760:2  -----  4.11, 6.99 A
assign (resid    9 and name  HA2) (resid   13 and name  HE*) 3.65 1.85 1.85 ! 0.0000  761:2  Mid    3.28, 5.42 A
assign (resid   31 and name  HB1) (resid   31 and name  HE*) 3.65 1.85 1.85 ! 0.0000  762:2  Intra  4.60, 5.06 A
assign (resid    5 and name  HB1) (resid    5 and name  HE*) 3.65 1.85 1.85 ! 0.8347  763:2  Intra  4.65, 5.05 A
assign (resid   36 and name HD2*) (resid    5 and name  HE*) 3.15 1.35 1.35 ! 0.0000  764:2  Long   2.62, 4.60 A
assign (resid   35 and name   HN) (resid   34 and name   HA) 2.65 0.85 0.85 ! 0.9990  765:2  Seq    2.24, 2.27 A
assign (resid   27 and name HG1*) (resid   28 and name   HA) 3.65 1.85 1.85 ! 0.0000  766:2  Seq    4.14, 5.35 A
assign (resid   32 and name   HN) (resid   30 and name   HA) 3.65 1.85 1.85 ! 0.0000  767:2  Mid    4.44, 4.67 A
assign (resid    5 and name  HE*) (resid   36 and name   HA) 3.65 1.85 1.85 ! 0.0000  768:2  Long   4.41, 5.62 A
assign (resid   13 and name  HE*) (resid   15 and name  HA2) 3.65 1.85 1.85 ! 0.7804  769:2  Ambig  4.51, 5.23 A
    or (resid   32 and name  HE*) (resid    5 and name   HA)                ! 0.2196  769:2  -----  5.57, 6.68 A
assign (resid    8 and name  HB2) (resid   25 and name   HA) 3.65 1.85 1.85 ! 0.6145  770:2  Ambig  3.40, 3.89 A
    or (resid    8 and name  HB2) (resid   17 and name   HB)                ! 0.2907  770:2  -----  3.85, 4.44 A
assign (resid   16 and name  HB2) (resid   16 and name   HA) 2.65 0.85 0.85 ! 0.8465  771:2  Intra  2.81, 2.85 A
assign (resid    1 and name HG2*) (resid    1 and name   HB) 2.65 0.85 0.85 ! 0.9899  772:2  Intra  2.40, 2.64 A
assign (resid   31 and name  HD*) (resid   30 and name  HG2) 3.65 1.85 1.85 ! 0.7095  773:2  Ambig  3.29, 5.58 A
    or (resid   26 and name HE21) (resid   26 and name  HB1)                ! 0.1653  773:2  -----  4.20, 4.36 A
assign (resid    7 and name HE21) (resid   13 and name  HB2) 3.65 1.85 1.85 ! 0.6525  774:2  Ambig  3.37, 3.68 A
    or (resid    7 and name HE21) (resid   32 and name  HB2)                ! 0.2285  774:2  -----  4.01, 4.35 A
assign (resid    7 and name HE21) (resid   32 and name   HA) 3.65 1.85 1.85 ! 0.0000  775:2  Long   2.08, 2.37 A
assign (resid    7 and name HE21) (resid   10 and name  HA1) 3.65 1.85 1.85 ! 0.9942  776:2  Mid    2.02, 2.57 A
assign (resid   31 and name  HD*) (resid   30 and name  HD1) 3.65 1.85 1.85 ! 0.0000  777:2  Seq    4.41, 6.61 A
assign (resid   31 and name  HE*) (resid   31 and name  HB1) 3.65 1.85 1.85 ! 0.0000  778:2  Intra  4.60, 5.06 A
assign (resid  101 and name   H1) (resid  101 and name   H2) 3.65 1.85 1.85 ! 0.0000  779:2  Intra  3.02, 3.05 A
assign (resid   25 and name   HA) (resid   33 and name  HB1) 3.15 1.35 1.35 ! 0.5374  780:2  Ambig  4.40, 4.71 A
    or (resid   26 and name   HA) (resid   33 and name  HB1)                ! 0.3070  780:2  -----  4.82, 4.99 A
assign (resid    2 and name  HB2) (resid    2 and name  HG2) 2.65 0.85 0.85 ! 0.9975  782:2  Intra  2.36, 2.39 A
assign (resid    7 and name  HB1) (resid    7 and name  HG1) 3.15 1.35 1.35 ! 0.9179  783:2  Intra  3.01, 3.02 A
assign (resid   30 and name  HG1) (resid   30 and name  HB1) 2.30 0.50 0.50 ! 0.5788  784:2  Ambig  2.31, 2.33 A
    or (resid    2 and name  HB1) (resid    2 and name  HG2)                ! 0.4051  784:2  -----  2.45, 2.48 A
assign (resid   28 and name HD1*) (resid   34 and name  HB1) 2.65 0.85 0.85 ! 0.6337  785:2  Ambig  2.14, 2.96 A
    or (resid   28 and name HD1*) (resid   28 and name  HB2)                ! 0.3095  785:2  -----  2.41, 3.03 A
assign (resid   28 and name HD1*) (resid   28 and name   HG) 2.65 0.85 0.85 ! 0.5498  786:2  Ambig  2.36, 2.61 A
    or (resid   28 and name HD1*) (resid   28 and name  HB1)                ! 0.4475  786:2  -----  2.45, 3.12 A
assign (resid   28 and name HD2*) (resid   28 and name   HG) 2.65 0.85 0.85 ! 0.5014  787:2  Ambig  2.41, 2.62 A
    or (resid   28 and name HD2*) (resid   28 and name  HB1)                ! 0.4970  787:2  -----  2.41, 3.07 A
assign (resid   36 and name HD1*) (resid   36 and name  HB*) 2.30 0.50 0.50 ! 0.9404  788:2  Intra  2.37, 3.08 A
assign (resid   18 and name   HB) (resid    1 and name HG2*) 3.15 1.35 1.35 ! 0.0000  789:2  Long   3.36, 4.49 A
assign (resid   34 and name  HG2) (resid   36 and name HD1*) 2.65 0.85 0.85 ! 0.8561  790:2  Mid    3.72, 4.38 A
assign (resid   32 and name   HN) (resid   29 and name  HB*) 3.65 1.85 1.85 ! 0.0000  791:2  Mid    1.80, 3.39 A
assign (resid   23 and name   HN) (resid   23 and name   HB) 3.65 1.85 1.85 ! 0.0000  792:2  Intra  3.73, 3.78 A
assign (resid   33 and name   HN) (resid   32 and name  HB1) 3.65 1.85 1.85 ! 0.9703  793:2  Seq    4.23, 4.30 A
assign (resid   31 and name  HE*) (resid   30 and name  HG2) 3.65 1.85 1.85 ! 0.0000  794:2  Seq    3.12, 5.52 A
assign (resid    9 and name   HN) (resid    7 and name  HB1) 3.65 1.85 1.85 ! 0.7664  795:2  Ambig  4.18, 4.45 A
    or (resid   33 and name   HN) (resid    7 and name  HB1)                ! 0.2336  795:2  -----  5.10, 5.20 A
assign (resid    5 and name  HD*) (resid   34 and name  HG1) 3.65 1.85 1.85 ! 0.7647  796:2  Ambig  4.04, 5.48 A
    or (resid    4 and name  HD2) (resid   34 and name  HG1)                ! 0.2353  796:2  -----  4.91, 5.47 A
assign (resid   22 and name  HA1) (resid   23 and name   HN) 3.65 1.85 1.85 ! 0.0000  797:2  Seq    2.97, 3.11 A
assign (resid   21 and name   HA) (resid   23 and name   HN) 3.65 1.85 1.85 ! 0.0000  798:2  Mid    3.22, 3.42 A
assign (resid   30 and name   HA) (resid   32 and name   HN) 3.65 1.85 1.85 ! 0.0000  799:2  Mid    4.44, 4.67 A
assign (resid   31 and name   HA) (resid   11 and name   HN) 3.65 1.85 1.85 ! 0.0000  800:2  Long   1.80, 1.96 A
assign (resid   10 and name  HA1) (resid   32 and name   HN) 3.65 1.85 1.85 ! 0.0000  801:2  Long   4.21, 4.69 A
assign (resid   30 and name  HD1) (resid   29 and name   HN) 3.65 1.85 1.85 ! 0.9012  802:2  Seq    4.53, 4.64 A
assign (resid   10 and name  HA2) (resid   11 and name   HN) 3.65 1.85 1.85 ! 0.9961  803:2  Seq    2.24, 2.39 A
assign (resid   10 and name  HA1) (resid   11 and name   HN) 3.65 1.85 1.85 ! 0.0000  804:2  Seq    2.65, 2.75 A
assign (resid   22 and name  HA2) (resid   23 and name HG2*) 3.65 1.85 1.85 ! 0.0000  805:2  Seq    4.66, 5.62 A
assign (resid   36 and name HD2*) (resid   36 and name   HG) 2.65 0.85 0.85 ! 0.9414  806:2  Intra  2.41, 2.63 A
assign (resid   36 and name HD1*) (resid   36 and name   HG) 2.65 0.85 0.85 ! 0.9593  807:2  Intra  2.36, 2.62 A
assign (resid    7 and name HE22) (resid   10 and name  HA2) 3.65 1.85 1.85 ! 0.5272  808:2  Ambig  4.07, 5.28 A
    or (resid   31 and name  HD*) (resid   11 and name   HA)                ! 0.3136  808:2  -----  4.44, 6.23 A
assign (resid   31 and name  HE*) (resid   30 and name  HB1) 3.65 1.85 1.85 ! 0.0000  810:2  Seq    4.30, 5.77 A
assign (resid   18 and name HG1*) (resid    1 and name HG2*) 2.65 0.85 0.85 ! 0.9253  811:2  Long   2.83, 4.88 A
assign (resid   36 and name HD1*) (resid   26 and name  HB2) 2.65 0.85 0.85 ! 0.4737  813:2  Ambig  2.34, 3.65 A
    or (resid   28 and name HD2*) (resid   26 and name  HB2)                ! 0.2654  813:2  -----  2.58, 3.88 A
    or (resid   36 and name HD1*) (resid   34 and name  HB1)                ! 0.1387  813:2  -----  2.87, 4.12 A
assign (resid  101 and name   H3) (resid  101 and name   H2) 2.65 0.85 0.85 ! 0.0000  814:2  Intra  3.01, 3.04 A
# Restraints file 2: talos.tbl

!    2 Q -105.362  136.115   19.710   13.701    1.141 0.810 25 13 Strong
assign (resid    1 and name C    ) (resid    2 and name N    )
       (resid    2 and name CA   ) (resid    2 and name C    )    1.0 -105.4   39.4 2
assign (resid    2 and name N    ) (resid    2 and name CA   )
       (resid    2 and name C    ) (resid    3 and name N    )    1.0  136.1   27.4 2

!    3 S -141.084  158.349   11.730   10.433    0.984 0.835 25 15 Strong
!assign (resid    2 and name C    ) (resid    3 and name N    )
!       (resid    3 and name CA   ) (resid    3 and name C    )    1.0 -141.1   23.5 2
!assign (resid    3 and name N    ) (resid    3 and name CA   )
!       (resid    3 and name C    ) (resid    4 and name N    )    1.0  158.3   20.9 2

!    4 H  -69.115  130.995   23.903   11.898    1.071 0.835 25 15 Strong
assign (resid    3 and name C    ) (resid    4 and name N    )
       (resid    4 and name CA   ) (resid    4 and name C    )    1.0  -69.1   47.8 2
assign (resid    4 and name N    ) (resid    4 and name CA   )
       (resid    4 and name C    ) (resid    5 and name N    )    1.0  131.0   23.8 2

!    5 Y   63.934   23.716    9.574   11.775    1.268 0.807 25 14 Strong
assign (resid    4 and name C    ) (resid    5 and name N    )
       (resid    5 and name CA   ) (resid    5 and name C    )    1.0   63.9   20.0 2
assign (resid    5 and name N    ) (resid    5 and name CA   )
       (resid    5 and name C    ) (resid    6 and name N    )    1.0   23.7   23.6 2

!   10 G  -75.169  161.688   11.748   18.332    1.281 0.804 25 13 Strong
assign (resid    9 and name C    ) (resid   10 and name N    )
       (resid   10 and name CA   ) (resid   10 and name C    )    1.0  -75.2   23.5 2
assign (resid   10 and name N    ) (resid   10 and name CA   )
       (resid   10 and name C    ) (resid   11 and name N    )    1.0  161.7   36.7 2

!   11 I  -57.972  129.928    6.606    5.238    0.816 0.767 25 13 Strong
assign (resid   10 and name C    ) (resid   11 and name N    )
       (resid   11 and name CA   ) (resid   11 and name C    )    1.0  -58.0   20.0 2
assign (resid   11 and name N    ) (resid   11 and name CA   )
       (resid   11 and name C    ) (resid   12 and name N    )    1.0  129.9   20.0 2

!   12 G   87.357   -0.856   13.183   15.275    0.621 0.729 25 14 Strong
assign (resid   11 and name C    ) (resid   12 and name N    )
       (resid   12 and name CA   ) (resid   12 and name C    )    1.0   87.4   26.4 2
assign (resid   12 and name N    ) (resid   12 and name CA   )
       (resid   12 and name C    ) (resid   13 and name N    )    1.0   -0.9   30.6 2

!   13 Y  -73.319  135.387   21.551   15.135   -0.682 0.697 25 14 Strong
assign (resid   12 and name C    ) (resid   13 and name N    )
       (resid   13 and name CA   ) (resid   13 and name C    )    1.0  -73.3   43.1 2
assign (resid   13 and name N    ) (resid   13 and name CA   )
       (resid   13 and name C    ) (resid   14 and name N    )    1.0  135.4   30.3 2

!   14 S -110.010   -7.961   15.504   21.070    1.084 0.691 25 14 Strong
assign (resid   13 and name C    ) (resid   14 and name N    )
       (resid   14 and name CA   ) (resid   14 and name C    )    1.0 -110.0   31.0 2
assign (resid   14 and name N    ) (resid   14 and name CA   )
       (resid   14 and name C    ) (resid   15 and name N    )    1.0   -8.0   42.1 2

!   18 V  -80.310  135.270   16.370   10.174    0.835 0.687 25 15 Strong
assign (resid   17 and name C    ) (resid   18 and name N    )
       (resid   18 and name CA   ) (resid   18 and name C    )    1.0  -80.3   32.7 2
assign (resid   18 and name N    ) (resid   18 and name CA   )
       (resid   18 and name C    ) (resid   19 and name N    )    1.0  135.3   20.3 2

!   19 c  -69.684  140.811    9.015   12.594    0.666 0.785 10 15 Generous
assign (resid   18 and name C    ) (resid   19 and name N    )
       (resid   19 and name CA   ) (resid   19 and name C    )    1.0  -69.7   30.0 2
assign (resid   19 and name N    ) (resid   19 and name CA   )
       (resid   19 and name C    ) (resid   20 and name N    )    1.0  140.8   37.8 2

!   21 S  -57.678  132.288    5.682    6.112    0.290 0.767 25 14 Strong
assign (resid   20 and name C    ) (resid   21 and name N    )
       (resid   21 and name CA   ) (resid   21 and name C    )    1.0  -57.7   20.0 2
assign (resid   21 and name N    ) (resid   21 and name CA   )
       (resid   21 and name C    ) (resid   22 and name N    )    1.0  132.3   20.0 2

!   22 G   90.801   -0.604    6.608    7.365    0.241 0.757 10 14 Generous
assign (resid   21 and name C    ) (resid   22 and name N    )
       (resid   22 and name CA   ) (resid   22 and name C    )    1.0   90.8   30.0 2
assign (resid   22 and name N    ) (resid   22 and name CA   )
       (resid   22 and name C    ) (resid   23 and name N    )    1.0   -0.6   30.0 2

!   23 T -129.372  155.996    9.569    9.376    0.374 0.789 25 14 Strong
assign (resid   22 and name C    ) (resid   23 and name N    )
       (resid   23 and name CA   ) (resid   23 and name C    )    1.0 -129.4   20.0 2
assign (resid   23 and name N    ) (resid   23 and name CA   )
       (resid   23 and name C    ) (resid   24 and name N    )    1.0  156.0   20.0 2

!   24 T -127.507  147.660   14.127   10.016    0.410 0.800 25 15 Strong
assign (resid   23 and name C    ) (resid   24 and name N    )
       (resid   24 and name CA   ) (resid   24 and name C    )    1.0 -127.5   28.3 2
assign (resid   24 and name N    ) (resid   24 and name CA   )
       (resid   24 and name C    ) (resid   25 and name N    )    1.0  147.7   20.0 2

!   25 c  -71.110  131.342    7.699   16.550    0.547 0.809 25 15 Strong
assign (resid   24 and name C    ) (resid   25 and name N    )
       (resid   25 and name CA   ) (resid   25 and name C    )    1.0  -71.1   20.0 2
assign (resid   25 and name N    ) (resid   25 and name CA   )
       (resid   25 and name C    ) (resid   26 and name N    )    1.0  131.3   33.1 2

!   26 Q  -89.714  132.455   16.798   14.327    0.554 0.801 25 15 Strong
assign (resid   25 and name C    ) (resid   26 and name N    )
       (resid   26 and name CA   ) (resid   26 and name C    )    1.0  -89.7   33.6 2
assign (resid   26 and name N    ) (resid   26 and name CA   )
       (resid   26 and name C    ) (resid   27 and name N    )    1.0  132.5   28.7 2

!   27 V  -77.883  129.552   13.948   17.433    0.519 0.798 25 15 Strong
assign (resid   26 and name C    ) (resid   27 and name N    )
       (resid   27 and name CA   ) (resid   27 and name C    )    1.0  -77.9   27.9 2
assign (resid   27 and name N    ) (resid   27 and name CA   )
       (resid   27 and name C    ) (resid   28 and name N    )    1.0  129.6   34.9 2

!   30 P  -61.018  -23.235    5.342    8.693    0.726 0.807 25 13 Strong
assign (resid   29 and name C    ) (resid   30 and name N    )
       (resid   30 and name CA   ) (resid   30 and name C    )    1.0  -61.0   20.0 2
assign (resid   30 and name N    ) (resid   30 and name CA   )
       (resid   30 and name C    ) (resid   31 and name N    )    1.0  -23.2   20.0 2

!   31 Y  -96.127   -3.638    9.655    9.630    0.675 0.821 25 13 Strong
assign (resid   30 and name C    ) (resid   31 and name N    )
       (resid   31 and name CA   ) (resid   31 and name C    )    1.0  -96.1   20.0 2
assign (resid   31 and name N    ) (resid   31 and name CA   )
       (resid   31 and name C    ) (resid   32 and name N    )    1.0   -3.6   20.0 2

!   32 Y  -69.788  135.710   11.248    6.785    0.856 0.849 25 15 Strong
assign (resid   31 and name C    ) (resid   32 and name N    )
       (resid   32 and name CA   ) (resid   32 and name C    )    1.0  -69.8   22.5 2
assign (resid   32 and name N    ) (resid   32 and name CA   )
       (resid   32 and name C    ) (resid   33 and name N    )    1.0  135.7   20.0 2

!   33 S -116.029  133.017   13.984   10.449    0.914 0.878 25 15 Strong
assign (resid   32 and name C    ) (resid   33 and name N    )
       (resid   33 and name CA   ) (resid   33 and name C    )    1.0 -116.0   28.0 2
assign (resid   33 and name N    ) (resid   33 and name CA   )
       (resid   33 and name C    ) (resid   34 and name N    )    1.0  133.0   20.9 2

!   34 Q -132.773  142.731   10.201   12.773    1.040 0.887 25 15 Strong
assign (resid   33 and name C    ) (resid   34 and name N    )
       (resid   34 and name CA   ) (resid   34 and name C    )    1.0 -132.8   20.4 2
assign (resid   34 and name N    ) (resid   34 and name CA   )
       (resid   34 and name C    ) (resid   35 and name N    )    1.0  142.7   25.5 2

!   35 c  -84.215  130.998   12.562   11.603    1.437 0.884 25 15 Strong
assign (resid   34 and name C    ) (resid   35 and name N    )
       (resid   35 and name CA   ) (resid   35 and name C    )    1.0  -84.2   25.1 2
assign (resid   35 and name N    ) (resid   35 and name CA   )
       (resid   35 and name C    ) (resid   36 and name N    )    1.0  131.0   23.2 2

!    2 Q Chi1 t  180+-30deg
assign (resid    2 and name N    ) (resid    2 and name CA   )
       (resid    2 and name CB   ) (resid    2 and name CG   )    1.0  180.0   30.0 2
!    4 H Chi1 t  180+-30deg
assign (resid    4 and name N    ) (resid    4 and name CA   )
       (resid    4 and name CB   ) (resid    4 and name CG   )    1.0  180.0   30.0 2
!    7 Q Chi1 t  180+-30deg
assign (resid    7 and name N    ) (resid    7 and name CA   )
       (resid    7 and name CB   ) (resid    7 and name CG   )    1.0  180.0   30.0 2
!    8 c Chi1 g+   60+-30deg
assign (resid    8 and name N    ) (resid    8 and name CA   )
       (resid    8 and name CB   ) (resid    8 and name SG   )    1.0   60.0   30.0 2
!   11 I Chi1 g- -60+-30deg
assign (resid   11 and name N    ) (resid   11 and name CA   )
       (resid   11 and name CB   ) (resid   11 and name CG1  )    1.0  -60.0   30.0 2
!   11 I Chi2 t  180+-30deg
assign (resid   11 and name CA   ) (resid   11 and name CB   )
       (resid   11 and name CG1  ) (resid   11 and name CD1  )    1.0  180.0   30.0 2
!   13 Y Chi1 t  180+-30deg
assign (resid   13 and name N    ) (resid   13 and name CA   )
       (resid   13 and name CB   ) (resid   13 and name CG   )    1.0  180.0   30.0 2
!   17 T Chi1 g+  60+-30deg
assign (resid   17 and name N    ) (resid   17 and name CA   )
       (resid   17 and name CB   ) (resid   17 and name OG1  )    1.0   60.0   30.0 2
!   18 V Chi1 t  180+-30deg
assign (resid   18 and name N    ) (resid   18 and name CA   )
       (resid   18 and name CB   ) (resid   18 and name CG1  )    1.0  180.0   30.0 2
!   19 c Chi1 g- -60+-30deg
assign (resid   19 and name N    ) (resid   19 and name CA   )
       (resid   19 and name CB   ) (resid   19 and name SG   )    1.0  -60.0   30.0 2
!   23 T Chi1 g+  60+-30deg
assign (resid   23 and name N    ) (resid   23 and name CA   )
       (resid   23 and name CB   ) (resid   23 and name OG1  )    1.0   60.0   30.0 2
!   24 T Chi1 g+  60+-30deg
assign (resid   24 and name N    ) (resid   24 and name CA   )
       (resid   24 and name CB   ) (resid   24 and name OG1  )    1.0   60.0   30.0 2
!   25 c Chi1 t  180+-30deg
assign (resid   25 and name N    ) (resid   25 and name CA   )
       (resid   25 and name CB   ) (resid   25 and name SG   )    1.0  180.0   30.0 2
!   26 Q Chi1 g- -60+-30deg
assign (resid   26 and name N    ) (resid   26 and name CA   )
       (resid   26 and name CB   ) (resid   26 and name CG   )    1.0  -60.0   30.0 2
!   27 V Chi1 t  180+-30deg
assign (resid   27 and name N    ) (resid   27 and name CA   )
       (resid   27 and name CB   ) (resid   27 and name CG1  )    1.0  180.0   30.0 2
!   28 L Chi1 g- -60+-30deg
assign (resid   28 and name N    ) (resid   28 and name CA   )
       (resid   28 and name CB   ) (resid   28 and name CG   )    1.0  -60.0   30.0 2
!   31 Y Chi1 g- -60+-30deg
assign (resid   31 and name N    ) (resid   31 and name CA   )
       (resid   31 and name CB   ) (resid   31 and name CG   )    1.0  -60.0   30.0 2
!   32 Y Chi1 t  180+-30deg
assign (resid   32 and name N    ) (resid   32 and name CA   )
       (resid   32 and name CB   ) (resid   32 and name CG   )    1.0  180.0   30.0 2
!   33 S Chi1 g- -60+-30deg
assign (resid   33 and name N    ) (resid   33 and name CA   )
       (resid   33 and name CB   ) (resid   33 and name OG   )    1.0  -60.0   30.0 2
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   THR   1           H1       THR   1   4.537   1.667   8.883
    2    H2   THR   1           H2       THR   1   4.302   2.652  10.283
    3    H3   THR   1           H3       THR   1   5.466   3.053   9.130
    4    HA   THR   1           HA       THR   1   2.598   2.991   8.630
    5    HB   THR   1           HB       THR   1   4.423   5.372   9.014
    6    HG1  THR   1           HG1      THR   1   3.171   5.363  11.121
    7   HG21  THR   1          HG21      THR   1   2.291   6.538   9.371
    8   HG22  THR   1          HG22      THR   1   1.420   5.022   9.142
    9   HG23  THR   1          HG23      THR   1   2.303   5.740   7.797
   10    H    GLN   2           H        GLN   2   2.226   2.944   6.487
   11    HA   GLN   2           HA       GLN   2   4.371   2.599   4.667
   12    HB2  GLN   2           HB2      GLN   2   2.188   1.406   4.522
   13    HB3  GLN   2           HB3      GLN   2   1.419   2.926   4.129
   14    HG2  GLN   2           HG2      GLN   2   1.789   1.625   2.128
   15    HG3  GLN   2           HG3      GLN   2   2.753   3.101   2.098
   16   HE21  GLN   2          HE21      GLN   2   2.801  -0.332   2.301
   17   HE22  GLN   2          HE22      GLN   2   4.481  -0.535   2.029
   18    H    SER   3           H        SER   3   5.375   4.049   3.506
   19    HA   SER   3           HA       SER   3   4.694   6.775   3.643
   20    HB2  SER   3           HB2      SER   3   6.691   7.168   2.376
   21    HB3  SER   3           HB3      SER   3   7.042   5.957   3.593
   22    H    HIS   4           H        HIS   4   4.803   8.062   1.556
   23    HA   HIS   4           HA       HIS   4   2.434   7.621   0.118
   24    HB2  HIS   4           HB2      HIS   4   3.687   9.816   0.633
   25    HB3  HIS   4           HB3      HIS   4   4.704   9.417  -0.741
   26    HD1  HIS   4           HD1      HIS   4   3.885  11.559  -1.962
   27    HD2  HIS   4           HD2      HIS   4   0.875   8.864  -1.066
   28    HE1  HIS   4           HE1      HIS   4   1.834  12.421  -3.127
   29    HE2  HIS   4           HE2      HIS   4   0.007  10.971  -2.238
   30    H    TYR   5           H        TYR   5   2.049   6.599  -1.775
   31    HA   TYR   5           HA       TYR   5   2.239   5.497  -3.658
   32    HB2  TYR   5           HB2      TYR   5   5.154   6.302  -3.706
   33    HB3  TYR   5           HB3      TYR   5   4.394   5.341  -4.958
   34    HD1  TYR   5           HD1      TYR   5   2.719   6.321  -6.452
   35    HD2  TYR   5           HD2      TYR   5   4.705   8.681  -3.532
   36    HE1  TYR   5           HE1      TYR   5   1.970   8.361  -7.599
   37    HE2  TYR   5           HE2      TYR   5   3.957  10.722  -4.669
   38    HH   TYR   5           HH       TYR   5   3.250  11.413  -6.870
   39    H    GLY   6           H        GLY   6   3.289   4.501  -0.856
   40    HA2  GLY   6           HA2      GLY   6   4.408   1.981  -1.744
   41    HA3  GLY   6           HA3      GLY   6   4.089   2.467  -0.082
   42    H    GLN   7           H        GLN   7   3.425  -0.044  -1.099
   43    HA   GLN   7           HA       GLN   7   0.629  -0.097  -1.747
   44    HB2  GLN   7           HB2      GLN   7   2.178  -1.799  -2.653
   45    HB3  GLN   7           HB3      GLN   7   2.536  -2.342  -1.026
   46    HG2  GLN   7           HG2      GLN   7   0.222  -3.083  -0.757
   47    HG3  GLN   7           HG3      GLN   7  -0.146  -2.522  -2.384
   48   HE21  GLN   7          HE21      GLN   7  -0.758  -4.707  -3.033
   49   HE22  GLN   7          HE22      GLN   7   0.459  -5.868  -3.292
   50    H    CYS   8           H        CYS   8  -0.851   0.228  -0.288
   51    HA   CYS   8           HA       CYS   8  -0.180   0.081   2.541
   52    HB2  CYS   8           HB2      CYS   8  -2.371   1.238   2.826
   53    HB3  CYS   8           HB3      CYS   8  -1.170   2.101   1.868
   54    H    GLY   9           H        GLY   9  -1.352  -2.148   0.521
   55    HA2  GLY   9           HA2      GLY   9  -1.872  -4.204   1.896
   56    HA3  GLY   9           HA3      GLY   9  -3.061  -3.190   2.683
   57    H    GLY  10           H        GLY  10  -2.218  -4.911  -0.185
   58    HA2  GLY  10           HA2      GLY  10  -4.994  -4.757  -1.092
   59    HA3  GLY  10           HA3      GLY  10  -3.629  -5.421  -1.999
   60    H    ILE  11           H        ILE  11  -5.478  -7.169  -2.039
   61    HA   ILE  11           HA       ILE  11  -5.926  -8.838   0.133
   62    HB   ILE  11           HB       ILE  11  -5.690  -9.549  -2.804
   63   HG12  ILE  11          HG12      ILE  11  -8.123  -9.097  -1.062
   64   HG13  ILE  11          HG13      ILE  11  -7.476  -7.944  -2.225
   65   HG21  ILE  11          HG21      ILE  11  -5.334 -11.552  -1.503
   66   HG22  ILE  11          HG22      ILE  11  -6.920 -11.615  -2.278
   67   HG23  ILE  11          HG23      ILE  11  -6.789 -11.240  -0.553
   68   HD11  ILE  11          HD11      ILE  11  -8.613 -10.659  -2.858
   69   HD12  ILE  11          HD12      ILE  11  -7.955  -9.520  -4.033
   70   HD13  ILE  11          HD13      ILE  11  -9.406  -9.104  -3.118
   71    H    GLY  12           H        GLY  12  -4.525  -9.843   1.400
   72    HA2  GLY  12           HA2      GLY  12  -2.989 -11.569   1.803
   73    HA3  GLY  12           HA3      GLY  12  -2.387 -11.379   0.167
   74    H    TYR  13           H        TYR  13  -2.371  -8.330   0.976
   75    HA   TYR  13           HA       TYR  13   0.422  -8.461   1.701
   76    HB2  TYR  13           HB2      TYR  13  -0.374  -6.828  -0.010
   77    HB3  TYR  13           HB3      TYR  13  -1.312  -6.023   1.239
   78    HD1  TYR  13           HD1      TYR  13  -0.178  -4.569   2.877
   79    HD2  TYR  13           HD2      TYR  13   2.017  -6.659  -0.092
   80    HE1  TYR  13           HE1      TYR  13   1.753  -3.143   3.317
   81    HE2  TYR  13           HE2      TYR  13   3.972  -5.235   0.345
   82    HH   TYR  13           HH       TYR  13   4.261  -2.845   1.238
   83    H    SER  14           H        SER  14   0.828  -8.878   3.742
   84    HA   SER  14           HA       SER  14  -0.845  -7.740   5.856
   85    HB2  SER  14           HB2      SER  14   1.216  -9.855   5.936
   86    HB3  SER  14           HB3      SER  14   0.100  -9.465   7.253
   87    HG   SER  14           HG       SER  14  -1.305  -9.889   5.022
   88    H    GLY  15           H        GLY  15   1.531  -6.516   4.286
   89    HA2  GLY  15           HA2      GLY  15   3.466  -5.993   6.387
   90    HA3  GLY  15           HA3      GLY  15   3.504  -5.354   4.746
   91    HA   PRO  16           HA       PRO  16   2.378  -1.780   7.478
   92    HB2  PRO  16           HB2      PRO  16   3.282   0.092   5.641
   93    HB3  PRO  16           HB3      PRO  16   4.246  -0.597   6.948
   94    HG2  PRO  16           HG2      PRO  16   4.183  -1.336   4.059
   95    HG3  PRO  16           HG3      PRO  16   5.560  -1.254   5.167
   96    HD2  PRO  16           HD2      PRO  16   4.424  -3.579   4.446
   97    HD3  PRO  16           HD3      PRO  16   5.129  -3.340   6.056
   98    H    THR  17           H        THR  17   0.299  -1.321   7.461
   99    HA   THR  17           HA       THR  17  -1.103  -1.148   4.894
  100    HB   THR  17           HB       THR  17  -3.113  -1.648   6.426
  101    HG1  THR  17           HG1      THR  17  -1.092  -2.783   8.069
  102   HG21  THR  17          HG21      THR  17  -0.969  -3.743   5.972
  103   HG22  THR  17          HG22      THR  17  -2.189  -3.255   4.802
  104   HG23  THR  17          HG23      THR  17  -2.673  -4.077   6.284
  105    H    VAL  18           H        VAL  18  -0.467   0.573   7.839
  106    HA   VAL  18           HA       VAL  18  -2.528   2.528   7.244
  107    HB   VAL  18           HB       VAL  18  -0.470   2.503   9.473
  108   HG11  VAL  18          HG11      VAL  18  -1.905   4.176  10.547
  109   HG12  VAL  18          HG12      VAL  18  -2.987   4.141   9.158
  110   HG13  VAL  18          HG13      VAL  18  -1.338   4.745   8.976
  111   HG21  VAL  18          HG21      VAL  18  -3.356   1.649   9.479
  112   HG22  VAL  18          HG22      VAL  18  -2.316   1.768  10.897
  113   HG23  VAL  18          HG23      VAL  18  -1.953   0.591   9.633
  114    H    CYS  19           H        CYS  19  -2.137   4.326   6.162
  115    HA   CYS  19           HA       CYS  19   0.506   4.768   5.094
  116    HB2  CYS  19           HB2      CYS  19  -2.060   6.289   4.642
  117    HB3  CYS  19           HB3      CYS  19  -0.581   6.403   3.694
  118    H    ALA  20           H        ALA  20   1.517   6.848   5.148
  119    HA   ALA  20           HA       ALA  20   1.728   8.089   7.649
  120    HB1  ALA  20           HB1      ALA  20   2.388   9.252   4.939
  121    HB2  ALA  20           HB2      ALA  20   3.460   8.238   5.897
  122    HB3  ALA  20           HB3      ALA  20   2.997   9.834   6.486
  123    H    SER  21           H        SER  21   0.911  10.046   8.448
  124    HA   SER  21           HA       SER  21  -1.767  10.594   7.903
  125    HB2  SER  21           HB2      SER  21   0.273  12.365   9.252
  126    HB3  SER  21           HB3      SER  21  -1.482  12.509   9.387
  127    HG   SER  21           HG       SER  21  -0.628   9.990   9.901
  128    H    GLY  22           H        GLY  22  -2.647  11.556   6.224
  129    HA2  GLY  22           HA2      GLY  22  -2.848  13.621   4.970
  130    HA3  GLY  22           HA3      GLY  22  -1.093  13.598   4.786
  131    H    THR  23           H        THR  23  -1.311  10.601   4.520
  132    HA   THR  23           HA       THR  23  -2.162  10.625   1.721
  133    HB   THR  23           HB       THR  23  -0.666   8.702   1.338
  134    HG1  THR  23           HG1      THR  23  -0.326   8.902   4.113
  135   HG21  THR  23          HG21      THR  23   0.233  10.937   0.969
  136   HG22  THR  23          HG22      THR  23   1.489   9.861   1.575
  137   HG23  THR  23          HG23      THR  23   0.728  11.025   2.658
  138    H    THR  24           H        THR  24  -3.455   8.986   1.011
  139    HA   THR  24           HA       THR  24  -4.788   7.530   3.174
  140    HB   THR  24           HB       THR  24  -6.859   7.744   1.752
  141    HG1  THR  24           HG1      THR  24  -5.030   9.194   0.170
  142   HG21  THR  24          HG21      THR  24  -7.325  10.046   2.441
  143   HG22  THR  24          HG22      THR  24  -5.602  10.332   2.679
  144   HG23  THR  24          HG23      THR  24  -6.456   9.188   3.715
  145    H    CYS  25           H        CYS  25  -5.280   5.408   2.813
  146    HA   CYS  25           HA       CYS  25  -3.828   4.056   0.778
  147    HB2  CYS  25           HB2      CYS  25  -4.227   3.004   2.987
  148    HB3  CYS  25           HB3      CYS  25  -5.960   3.001   2.664
  149    H    GLN  26           H        GLN  26  -4.422   4.016  -1.249
  150    HA   GLN  26           HA       GLN  26  -7.255   4.161  -1.944
  151    HB2  GLN  26           HB2      GLN  26  -4.773   4.668  -3.591
  152    HB3  GLN  26           HB3      GLN  26  -6.424   4.802  -4.177
  153    HG2  GLN  26           HG2      GLN  26  -5.224   6.454  -1.970
  154    HG3  GLN  26           HG3      GLN  26  -5.425   6.974  -3.643
  155   HE21  GLN  26          HE21      GLN  26  -6.521   8.028  -1.172
  156   HE22  GLN  26          HE22      GLN  26  -8.228   8.048  -1.410
  157    H    VAL  27           H        VAL  27  -8.063   2.206  -2.220
  158    HA   VAL  27           HA       VAL  27  -6.449  -0.010  -3.075
  159    HB   VAL  27           HB       VAL  27  -9.477   0.162  -2.859
  160   HG11  VAL  27          HG11      VAL  27  -7.658  -2.240  -2.980
  161   HG12  VAL  27          HG12      VAL  27  -8.718  -1.680  -4.267
  162   HG13  VAL  27          HG13      VAL  27  -9.410  -2.286  -2.759
  163   HG21  VAL  27          HG21      VAL  27  -9.215  -0.958  -0.685
  164   HG22  VAL  27          HG22      VAL  27  -8.426   0.621  -0.702
  165   HG23  VAL  27          HG23      VAL  27  -7.462  -0.847  -0.848
  166    H    LEU  28           H        LEU  28  -5.690   0.238  -5.046
  167    HA   LEU  28           HA       LEU  28  -7.249   1.458  -7.158
  168    HB2  LEU  28           HB2      LEU  28  -4.507   0.202  -7.294
  169    HB3  LEU  28           HB3      LEU  28  -5.240   1.212  -8.516
  170    HG   LEU  28           HG       LEU  28  -4.341   2.106  -5.772
  171   HD11  LEU  28          HD11      LEU  28  -3.268   2.705  -8.518
  172   HD12  LEU  28          HD12      LEU  28  -2.509   1.687  -7.295
  173   HD13  LEU  28          HD13      LEU  28  -2.699   3.416  -7.009
  174   HD21  LEU  28          HD21      LEU  28  -6.311   3.359  -6.471
  175   HD22  LEU  28          HD22      LEU  28  -5.532   3.689  -8.029
  176   HD23  LEU  28          HD23      LEU  28  -4.844   4.349  -6.544
  177    H    ASN  29           H        ASN  29  -5.997  -1.674  -6.248
  178    HA   ASN  29           HA       ASN  29  -7.765  -2.962  -8.167
  179    HB2  ASN  29           HB2      ASN  29  -4.835  -3.731  -7.818
  180    HB3  ASN  29           HB3      ASN  29  -6.013  -4.536  -8.839
  181   HD21  ASN  29          HD21      ASN  29  -3.872  -1.865  -8.513
  182   HD22  ASN  29          HD22      ASN  29  -4.006  -1.279 -10.125
  183    HA   PRO  30           HA       PRO  30  -8.545  -5.743  -4.774
  184    HB2  PRO  30           HB2      PRO  30  -7.429  -7.989  -6.403
  185    HB3  PRO  30           HB3      PRO  30  -8.957  -7.904  -5.514
  186    HG2  PRO  30           HG2      PRO  30  -8.968  -7.640  -8.139
  187    HG3  PRO  30           HG3      PRO  30  -9.974  -6.577  -7.141
  188    HD2  PRO  30           HD2      PRO  30  -7.386  -6.003  -8.505
  189    HD3  PRO  30           HD3      PRO  30  -8.790  -4.949  -8.319
  190    H    TYR  31           H        TYR  31  -5.399  -6.492  -6.360
  191    HA   TYR  31           HA       TYR  31  -4.396  -7.072  -3.668
  192    HB2  TYR  31           HB2      TYR  31  -3.217  -7.605  -6.385
  193    HB3  TYR  31           HB3      TYR  31  -2.325  -7.826  -4.890
  194    HD1  TYR  31           HD1      TYR  31  -5.466  -8.931  -6.582
  195    HD2  TYR  31           HD2      TYR  31  -2.374  -9.896  -3.842
  196    HE1  TYR  31           HE1      TYR  31  -6.305 -11.248  -6.443
  197    HE2  TYR  31           HE2      TYR  31  -3.203 -12.188  -3.686
  198    HH   TYR  31           HH       TYR  31  -5.210 -13.421  -4.042
  199    H    TYR  32           H        TYR  32  -4.046  -4.677  -6.202
  200    HA   TYR  32           HA       TYR  32  -1.904  -3.571  -4.616
  201    HB2  TYR  32           HB2      TYR  32  -1.437  -3.740  -7.027
  202    HB3  TYR  32           HB3      TYR  32  -2.697  -2.539  -7.331
  203    HD1  TYR  32           HD1      TYR  32   0.373  -3.065  -5.316
  204    HD2  TYR  32           HD2      TYR  32  -2.108  -0.283  -7.339
  205    HE1  TYR  32           HE1      TYR  32   1.983  -1.303  -4.811
  206    HE2  TYR  32           HE2      TYR  32  -0.510   1.516  -6.840
  207    HH   TYR  32           HH       TYR  32   2.637   0.830  -5.570
  208    H    SER  33           H        SER  33  -2.236  -2.207  -3.117
  209    HA   SER  33           HA       SER  33  -4.219  -0.089  -3.538
  210    HB2  SER  33           HB2      SER  33  -3.371  -1.320  -0.893
  211    HB3  SER  33           HB3      SER  33  -4.627  -0.112  -1.133
  212    HG   SER  33           HG       SER  33  -5.177  -2.472  -0.915
  213    H    GLN  34           H        GLN  34  -3.351   1.987  -3.160
  214    HA   GLN  34           HA       GLN  34  -0.527   2.079  -2.319
  215    HB2  GLN  34           HB2      GLN  34  -0.492   2.237  -4.712
  216    HB3  GLN  34           HB3      GLN  34  -1.778   3.433  -4.709
  217    HG2  GLN  34           HG2      GLN  34  -0.333   5.063  -3.730
  218    HG3  GLN  34           HG3      GLN  34   0.953   3.865  -3.532
  219   HE21  GLN  34          HE21      GLN  34   2.163   3.312  -5.308
  220   HE22  GLN  34          HE22      GLN  34   2.089   4.161  -6.805
  221    H    CYS  35           H        CYS  35   0.031   3.731  -0.988
  222    HA   CYS  35           HA       CYS  35  -2.057   5.390   0.094
  223    HB2  CYS  35           HB2      CYS  35   0.920   5.626   0.622
  224    HB3  CYS  35           HB3      CYS  35  -0.394   6.338   1.525
  225    H    LEU  36           H        LEU  36  -2.746   7.114  -0.850
  226    HA   LEU  36           HA       LEU  36  -0.871   8.839  -2.252
  227    HB2  LEU  36           HB2      LEU  36  -3.701   8.149  -3.006
  228    HB3  LEU  36           HB3      LEU  36  -2.824   9.500  -3.696
  229    HG   LEU  36           HG       LEU  36  -1.957   6.618  -3.921
  230   HD11  LEU  36          HD11      LEU  36  -3.290   8.402  -5.946
  231   HD12  LEU  36          HD12      LEU  36  -4.008   6.994  -5.150
  232   HD13  LEU  36          HD13      LEU  36  -2.639   6.788  -6.240
  233   HD21  LEU  36          HD21      LEU  36  -0.090   8.191  -4.020
  234   HD22  LEU  36          HD22      LEU  36  -0.940   9.134  -5.242
  235   HD23  LEU  36          HD23      LEU  36  -0.405   7.495  -5.607
  236    H2   BGC 101           H2       BGC 101   8.668   3.479   0.696
  237    H3   BGC 101           H3       BGC 101   6.483   1.375   1.028
  238    H4   BGC 101           H4       BGC 101   9.274   1.684   2.168
  239    H5   BGC 101           H5       BGC 101   6.470   1.762   3.420
  240   H6C1  BGC 101           H61      BGC 101   9.269   2.039   4.610
  241   H6C2  BGC 101           H62      BGC 101   8.075   0.781   4.983
  242    H1   BGC 101           H1       BGC 101   5.873   3.577   1.883
  243    HB   BGC 101           HO2      BGC 101   7.010   4.467  -0.568
  244    HC   BGC 101           HO3      BGC 101   8.080   0.013   0.137
  245    HD   BGC 101           HO4      BGC 101   8.727  -0.261   3.232
  246    H6   BGC 101           HO6      BGC 101   7.749   3.575   5.520
  Start of MODEL    2
    1    H1   THR   1           H1       THR   1   3.925   1.787  10.051
    2    H2   THR   1           H2       THR   1   5.225   1.760   8.970
    3    H3   THR   1           H3       THR   1   3.885   0.780   8.694
    4    HA   THR   1           HA       THR   1   2.532   2.666   8.334
    5    HB   THR   1           HB       THR   1   5.015   4.296   8.905
    6    HG1  THR   1           HG1      THR   1   3.708   4.860  10.823
    7   HG21  THR   1          HG21      THR   1   3.372   5.357   7.385
    8   HG22  THR   1          HG22      THR   1   3.449   6.188   8.936
    9   HG23  THR   1          HG23      THR   1   2.108   5.098   8.588
   10    H    GLN   2           H        GLN   2   2.283   3.254   6.244
   11    HA   GLN   2           HA       GLN   2   4.429   2.539   4.406
   12    HB2  GLN   2           HB2      GLN   2   2.245   1.372   4.197
   13    HB3  GLN   2           HB3      GLN   2   1.471   2.921   3.921
   14    HG2  GLN   2           HG2      GLN   2   1.842   1.676   1.854
   15    HG3  GLN   2           HG3      GLN   2   2.699   3.215   1.875
   16   HE21  GLN   2          HE21      GLN   2   3.036  -0.228   1.907
   17   HE22  GLN   2          HE22      GLN   2   4.729  -0.249   1.635
   18    H    SER   3           H        SER   3   5.459   4.115   3.356
   19    HA   SER   3           HA       SER   3   4.780   6.817   3.707
   20    HB2  SER   3           HB2      SER   3   6.741   7.302   2.374
   21    HB3  SER   3           HB3      SER   3   7.124   5.997   3.475
   22    H    HIS   4           H        HIS   4   4.898   8.269   1.564
   23    HA   HIS   4           HA       HIS   4   2.386   7.860   0.329
   24    HB2  HIS   4           HB2      HIS   4   3.584  10.084   0.820
   25    HB3  HIS   4           HB3      HIS   4   4.540   9.762  -0.617
   26    HD1  HIS   4           HD1      HIS   4   3.418  12.083  -1.440
   27    HD2  HIS   4           HD2      HIS   4   0.845   8.860  -1.065
   28    HE1  HIS   4           HE1      HIS   4   1.304  12.767  -2.591
   29    HE2  HIS   4           HE2      HIS   4  -0.306  10.966  -1.864
   30    H    TYR   5           H        TYR   5   1.879   6.901  -1.533
   31    HA   TYR   5           HA       TYR   5   1.946   5.922  -3.480
   32    HB2  TYR   5           HB2      TYR   5   4.787   6.913  -3.690
   33    HB3  TYR   5           HB3      TYR   5   4.049   5.890  -4.917
   34    HD1  TYR   5           HD1      TYR   5   2.194   6.707  -6.260
   35    HD2  TYR   5           HD2      TYR   5   4.166   9.244  -3.488
   36    HE1  TYR   5           HE1      TYR   5   1.189   8.659  -7.348
   37    HE2  TYR   5           HE2      TYR   5   3.162  11.213  -4.573
   38    HH   TYR   5           HH       TYR   5   2.215  11.828  -6.723
   39    H    GLY   6           H        GLY   6   3.156   4.785  -0.837
   40    HA2  GLY   6           HA2      GLY   6   4.298   2.379  -1.975
   41    HA3  GLY   6           HA3      GLY   6   4.069   2.731  -0.261
   42    H    GLN   7           H        GLN   7   3.365   0.323  -1.699
   43    HA   GLN   7           HA       GLN   7   0.500   0.236  -1.866
   44    HB2  GLN   7           HB2      GLN   7   1.983  -1.279  -3.193
   45    HB3  GLN   7           HB3      GLN   7   2.520  -2.025  -1.699
   46    HG2  GLN   7           HG2      GLN   7   0.183  -2.737  -1.269
   47    HG3  GLN   7           HG3      GLN   7  -0.258  -2.080  -2.842
   48   HE21  GLN   7          HE21      GLN   7  -0.459  -4.817  -1.943
   49   HE22  GLN   7          HE22      GLN   7   0.462  -5.767  -3.012
   50    H    CYS   8           H        CYS   8  -0.671   0.428  -0.028
   51    HA   CYS   8           HA       CYS   8   0.494  -0.022   2.537
   52    HB2  CYS   8           HB2      CYS   8  -1.620   0.589   3.494
   53    HB3  CYS   8           HB3      CYS   8  -1.421   1.603   2.073
   54    H    GLY   9           H        GLY   9  -1.760  -1.773   0.513
   55    HA2  GLY   9           HA2      GLY   9  -0.985  -4.235   0.926
   56    HA3  GLY   9           HA3      GLY   9  -1.818  -3.910   2.438
   57    H    GLY  10           H        GLY  10  -2.110  -5.156  -0.529
   58    HA2  GLY  10           HA2      GLY  10  -4.982  -4.691  -0.774
   59    HA3  GLY  10           HA3      GLY  10  -3.907  -5.459  -1.940
   60    H    ILE  11           H        ILE  11  -5.557  -7.149  -1.857
   61    HA   ILE  11           HA       ILE  11  -5.984  -8.788   0.344
   62    HB   ILE  11           HB       ILE  11  -5.828  -9.541  -2.590
   63   HG12  ILE  11          HG12      ILE  11  -8.209  -8.931  -0.824
   64   HG13  ILE  11          HG13      ILE  11  -7.530  -7.844  -2.030
   65   HG21  ILE  11          HG21      ILE  11  -7.133 -11.523  -2.004
   66   HG22  ILE  11          HG22      ILE  11  -6.981 -11.108  -0.289
   67   HG23  ILE  11          HG23      ILE  11  -5.544 -11.505  -1.241
   68   HD11  ILE  11          HD11      ILE  11  -8.127  -9.444  -3.788
   69   HD12  ILE  11          HD12      ILE  11  -9.528  -8.930  -2.854
   70   HD13  ILE  11          HD13      ILE  11  -8.810 -10.515  -2.563
   71    H    GLY  12           H        GLY  12  -4.607  -9.936   1.554
   72    HA2  GLY  12           HA2      GLY  12  -3.029 -11.650   1.897
   73    HA3  GLY  12           HA3      GLY  12  -2.410 -11.369   0.281
   74    H    TYR  13           H        TYR  13  -2.443  -8.382   1.105
   75    HA   TYR  13           HA       TYR  13   0.264  -8.499   2.221
   76    HB2  TYR  13           HB2      TYR  13  -0.173  -7.373   0.031
   77    HB3  TYR  13           HB3      TYR  13  -1.183  -6.209   0.865
   78    HD1  TYR  13           HD1      TYR  13   0.318  -5.200   3.049
   79    HD2  TYR  13           HD2      TYR  13   1.797  -6.563  -0.688
   80    HE1  TYR  13           HE1      TYR  13   2.242  -3.765   3.323
   81    HE2  TYR  13           HE2      TYR  13   3.771  -5.137  -0.437
   82    HH   TYR  13           HH       TYR  13   4.222  -2.912   0.845
   83    H    SER  14           H        SER  14   0.394  -8.132   4.330
   84    HA   SER  14           HA       SER  14  -1.513  -6.312   5.582
   85    HB2  SER  14           HB2      SER  14  -0.653  -8.980   6.526
   86    HB3  SER  14           HB3      SER  14  -1.671  -7.895   7.483
   87    HG   SER  14           HG       SER  14  -3.169  -7.981   5.715
   88    H    GLY  15           H        GLY  15   1.282  -6.034   4.709
   89    HA2  GLY  15           HA2      GLY  15   2.870  -5.877   7.125
   90    HA3  GLY  15           HA3      GLY  15   3.352  -5.374   5.517
   91    HA   PRO  16           HA       PRO  16   2.793  -1.278   7.344
   92    HB2  PRO  16           HB2      PRO  16   3.625   0.106   5.117
   93    HB3  PRO  16           HB3      PRO  16   4.728  -0.555   6.323
   94    HG2  PRO  16           HG2      PRO  16   3.929  -1.673   3.670
   95    HG3  PRO  16           HG3      PRO  16   5.523  -1.653   4.441
   96    HD2  PRO  16           HD2      PRO  16   3.965  -3.864   4.424
   97    HD3  PRO  16           HD3      PRO  16   5.038  -3.469   5.780
   98    H    THR  17           H        THR  17   0.492  -1.793   7.238
   99    HA   THR  17           HA       THR  17  -0.996  -1.096   4.879
  100    HB   THR  17           HB       THR  17  -2.896  -1.812   6.429
  101    HG1  THR  17           HG1      THR  17  -1.902  -3.192   8.172
  102   HG21  THR  17          HG21      THR  17  -0.634  -3.732   5.783
  103   HG22  THR  17          HG22      THR  17  -1.945  -3.284   4.704
  104   HG23  THR  17          HG23      THR  17  -2.290  -4.211   6.163
  105    H    VAL  18           H        VAL  18  -0.053   0.411   7.810
  106    HA   VAL  18           HA       VAL  18  -2.217   2.343   7.724
  107    HB   VAL  18           HB       VAL  18   0.222   2.268   9.528
  108   HG11  VAL  18          HG11      VAL  18  -0.710   4.497   9.369
  109   HG12  VAL  18          HG12      VAL  18  -1.041   3.818  10.963
  110   HG13  VAL  18          HG13      VAL  18  -2.320   3.885   9.749
  111   HG21  VAL  18          HG21      VAL  18  -2.594   1.320  10.072
  112   HG22  VAL  18          HG22      VAL  18  -1.289   1.389  11.259
  113   HG23  VAL  18          HG23      VAL  18  -1.170   0.299   9.878
  114    H    CYS  19           H        CYS  19  -2.048   3.968   6.326
  115    HA   CYS  19           HA       CYS  19   0.446   4.597   5.078
  116    HB2  CYS  19           HB2      CYS  19  -2.230   5.989   4.886
  117    HB3  CYS  19           HB3      CYS  19  -0.855   6.230   3.814
  118    H    ALA  20           H        ALA  20   1.570   6.519   5.216
  119    HA   ALA  20           HA       ALA  20   1.818   7.755   7.686
  120    HB1  ALA  20           HB1      ALA  20   3.209   9.403   6.528
  121    HB2  ALA  20           HB2      ALA  20   2.590   8.841   4.975
  122    HB3  ALA  20           HB3      ALA  20   3.572   7.769   5.975
  123    H    SER  21           H        SER  21   1.076   9.666   8.523
  124    HA   SER  21           HA       SER  21  -1.519  10.409   8.087
  125    HB2  SER  21           HB2      SER  21   0.689  12.100   9.250
  126    HB3  SER  21           HB3      SER  21  -1.034  12.194   9.628
  127    HG   SER  21           HG       SER  21  -0.934  10.393  10.755
  128    H    GLY  22           H        GLY  22  -2.409  11.400   6.411
  129    HA2  GLY  22           HA2      GLY  22  -2.528  13.543   5.213
  130    HA3  GLY  22           HA3      GLY  22  -0.806  13.338   4.894
  131    H    THR  23           H        THR  23  -1.311  10.392   4.602
  132    HA   THR  23           HA       THR  23  -2.272  10.555   1.830
  133    HB   THR  23           HB       THR  23  -0.852   8.618   1.311
  134    HG1  THR  23           HG1      THR  23  -0.251   8.724   4.102
  135   HG21  THR  23          HG21      THR  23   0.181  10.818   1.154
  136   HG22  THR  23          HG22      THR  23   1.360   9.625   1.710
  137   HG23  THR  23          HG23      THR  23   0.620  10.741   2.858
  138    H    THR  24           H        THR  24  -3.566   8.858   1.035
  139    HA   THR  24           HA       THR  24  -4.814   7.170   3.076
  140    HB   THR  24           HB       THR  24  -6.919   7.558   1.582
  141    HG1  THR  24           HG1      THR  24  -5.174   9.223   0.408
  142   HG21  THR  24          HG21      THR  24  -7.580   9.459   2.985
  143   HG22  THR  24          HG22      THR  24  -5.897   9.726   3.431
  144   HG23  THR  24          HG23      THR  24  -6.722   8.254   3.944
  145    H    CYS  25           H        CYS  25  -5.034   5.073   2.481
  146    HA   CYS  25           HA       CYS  25  -3.761   4.264   0.052
  147    HB2  CYS  25           HB2      CYS  25  -3.601   2.997   2.241
  148    HB3  CYS  25           HB3      CYS  25  -5.276   2.508   1.972
  149    H    GLN  26           H        GLN  26  -4.640   4.330  -1.773
  150    HA   GLN  26           HA       GLN  26  -7.507   4.040  -2.029
  151    HB2  GLN  26           HB2      GLN  26  -5.410   4.830  -4.053
  152    HB3  GLN  26           HB3      GLN  26  -7.152   4.891  -4.285
  153    HG2  GLN  26           HG2      GLN  26  -5.594   6.488  -2.274
  154    HG3  GLN  26           HG3      GLN  26  -6.219   7.109  -3.796
  155   HE21  GLN  26          HE21      GLN  26  -6.764   7.948  -1.057
  156   HE22  GLN  26          HE22      GLN  26  -8.470   7.781  -0.843
  157    H    VAL  27           H        VAL  27  -8.279   2.159  -2.549
  158    HA   VAL  27           HA       VAL  27  -6.562  -0.013  -3.297
  159    HB   VAL  27           HB       VAL  27  -9.591   0.048  -3.132
  160   HG11  VAL  27          HG11      VAL  27  -7.669  -2.268  -3.043
  161   HG12  VAL  27          HG12      VAL  27  -8.721  -1.846  -4.388
  162   HG13  VAL  27          HG13      VAL  27  -9.422  -2.375  -2.854
  163   HG21  VAL  27          HG21      VAL  27  -9.335  -0.903  -0.878
  164   HG22  VAL  27          HG22      VAL  27  -8.632   0.713  -0.995
  165   HG23  VAL  27          HG23      VAL  27  -7.586  -0.705  -1.010
  166    H    LEU  28           H        LEU  28  -5.780   0.375  -5.253
  167    HA   LEU  28           HA       LEU  28  -7.355   1.390  -7.455
  168    HB2  LEU  28           HB2      LEU  28  -4.549   0.285  -7.414
  169    HB3  LEU  28           HB3      LEU  28  -5.267   1.235  -8.695
  170    HG   LEU  28           HG       LEU  28  -4.688   2.255  -5.906
  171   HD11  LEU  28          HD11      LEU  28  -3.249   2.725  -8.506
  172   HD12  LEU  28          HD12      LEU  28  -2.653   1.820  -7.112
  173   HD13  LEU  28          HD13      LEU  28  -2.931   3.557  -6.984
  174   HD21  LEU  28          HD21      LEU  28  -6.566   3.377  -6.964
  175   HD22  LEU  28          HD22      LEU  28  -5.557   3.669  -8.391
  176   HD23  LEU  28          HD23      LEU  28  -5.146   4.430  -6.852
  177    H    ASN  29           H        ASN  29  -6.114  -1.633  -6.303
  178    HA   ASN  29           HA       ASN  29  -7.614  -3.103  -8.295
  179    HB2  ASN  29           HB2      ASN  29  -4.658  -3.515  -7.718
  180    HB3  ASN  29           HB3      ASN  29  -5.685  -4.640  -8.589
  181   HD21  ASN  29          HD21      ASN  29  -3.990  -1.620  -8.739
  182   HD22  ASN  29          HD22      ASN  29  -4.154  -1.413 -10.444
  183    HA   PRO  30           HA       PRO  30  -8.465  -5.758  -4.784
  184    HB2  PRO  30           HB2      PRO  30  -7.209  -8.032  -6.255
  185    HB3  PRO  30           HB3      PRO  30  -8.788  -7.946  -5.460
  186    HG2  PRO  30           HG2      PRO  30  -8.673  -7.808  -8.083
  187    HG3  PRO  30           HG3      PRO  30  -9.729  -6.692  -7.195
  188    HD2  PRO  30           HD2      PRO  30  -7.040  -6.191  -8.402
  189    HD3  PRO  30           HD3      PRO  30  -8.482  -5.152  -8.432
  190    H    TYR  31           H        TYR  31  -5.214  -6.418  -6.181
  191    HA   TYR  31           HA       TYR  31  -4.334  -6.957  -3.432
  192    HB2  TYR  31           HB2      TYR  31  -2.922  -7.521  -6.060
  193    HB3  TYR  31           HB3      TYR  31  -2.317  -7.940  -4.472
  194    HD1  TYR  31           HD1      TYR  31  -5.078  -8.637  -6.870
  195    HD2  TYR  31           HD2      TYR  31  -2.937  -9.952  -3.447
  196    HE1  TYR  31           HE1      TYR  31  -6.224 -10.810  -6.993
  197    HE2  TYR  31           HE2      TYR  31  -4.077 -12.116  -3.557
  198    HH   TYR  31           HH       TYR  31  -5.896 -13.075  -6.256
  199    H    TYR  32           H        TYR  32  -3.955  -4.743  -6.105
  200    HA   TYR  32           HA       TYR  32  -1.760  -3.456  -4.701
  201    HB2  TYR  32           HB2      TYR  32  -1.607  -3.790  -7.186
  202    HB3  TYR  32           HB3      TYR  32  -2.921  -2.636  -7.369
  203    HD1  TYR  32           HD1      TYR  32   0.456  -2.920  -5.821
  204    HD2  TYR  32           HD2      TYR  32  -2.403  -0.378  -7.692
  205    HE1  TYR  32           HE1      TYR  32   2.101  -1.097  -5.841
  206    HE2  TYR  32           HE2      TYR  32  -0.772   1.454  -7.712
  207    HH   TYR  32           HH       TYR  32   1.264   2.137  -6.592
  208    H    SER  33           H        SER  33  -2.196  -2.061  -3.206
  209    HA   SER  33           HA       SER  33  -4.269  -0.054  -3.660
  210    HB2  SER  33           HB2      SER  33  -3.667  -1.463  -1.026
  211    HB3  SER  33           HB3      SER  33  -4.880  -0.206  -1.276
  212    HG   SER  33           HG       SER  33  -5.246  -2.222  -3.037
  213    H    GLN  34           H        GLN  34  -3.421   1.989  -3.372
  214    HA   GLN  34           HA       GLN  34  -0.683   2.105  -2.293
  215    HB2  GLN  34           HB2      GLN  34  -0.414   2.189  -4.626
  216    HB3  GLN  34           HB3      GLN  34  -1.787   3.260  -4.840
  217    HG2  GLN  34           HG2      GLN  34  -0.554   5.098  -3.923
  218    HG3  GLN  34           HG3      GLN  34   0.797   4.035  -3.509
  219   HE21  GLN  34          HE21      GLN  34   2.242   3.469  -5.089
  220   HE22  GLN  34          HE22      GLN  34   2.197   4.131  -6.679
  221    H    CYS  35           H        CYS  35  -0.218   3.674  -0.892
  222    HA   CYS  35           HA       CYS  35  -2.294   5.384   0.128
  223    HB2  CYS  35           HB2      CYS  35   0.663   5.502   0.742
  224    HB3  CYS  35           HB3      CYS  35  -0.658   6.190   1.671
  225    H    LEU  36           H        LEU  36  -2.983   6.993  -0.976
  226    HA   LEU  36           HA       LEU  36  -1.094   8.737  -2.330
  227    HB2  LEU  36           HB2      LEU  36  -3.997   8.141  -2.924
  228    HB3  LEU  36           HB3      LEU  36  -3.058   9.385  -3.723
  229    HG   LEU  36           HG       LEU  36  -2.484   6.423  -3.851
  230   HD11  LEU  36          HD11      LEU  36  -3.188   6.600  -6.172
  231   HD12  LEU  36          HD12      LEU  36  -3.645   8.289  -5.919
  232   HD13  LEU  36          HD13      LEU  36  -4.506   7.001  -5.076
  233   HD21  LEU  36          HD21      LEU  36  -0.889   7.074  -5.603
  234   HD22  LEU  36          HD22      LEU  36  -0.461   7.719  -4.026
  235   HD23  LEU  36          HD23      LEU  36  -1.206   8.770  -5.237
  236    H2   BGC 101           H2       BGC 101   8.576   3.670   0.340
  237    H3   BGC 101           H3       BGC 101   6.258   1.752   0.630
  238    H4   BGC 101           H4       BGC 101   9.143   1.681   1.628
  239    H5   BGC 101           H5       BGC 101   6.433   1.933   3.082
  240   H6C1  BGC 101           H61      BGC 101   9.306   2.012   4.116
  241   H6C2  BGC 101           H62      BGC 101   8.075   0.800   4.546
  242    H1   BGC 101           H1       BGC 101   5.852   3.805   1.670
  243    HB   BGC 101           HO2      BGC 101   6.965   4.816  -0.835
  244    HC   BGC 101           HO3      BGC 101   7.343   1.805  -1.360
  245    HD   BGC 101           HO4      BGC 101   8.414  -0.295   2.621
  246    H6   BGC 101           HO6      BGC 101   6.929   2.396   5.700
  Start of MODEL    3
    1    H1   THR   1           H1       THR   1   5.906   2.440   8.644
    2    H2   THR   1           H2       THR   1   4.716   1.265   8.403
    3    H3   THR   1           H3       THR   1   4.785   2.133   9.863
    4    HA   THR   1           HA       THR   1   3.026   2.913   8.447
    5    HB   THR   1           HB       THR   1   5.259   4.940   8.735
    6    HG1  THR   1           HG1      THR   1   4.403   5.084  10.928
    7   HG21  THR   1          HG21      THR   1   2.259   5.119   9.133
    8   HG22  THR   1          HG22      THR   1   3.122   5.688   7.708
    9   HG23  THR   1          HG23      THR   1   3.406   6.451   9.271
   10    H    GLN   2           H        GLN   2   2.450   2.931   6.358
   11    HA   GLN   2           HA       GLN   2   4.473   2.644   4.352
   12    HB2  GLN   2           HB2      GLN   2   2.364   1.317   4.321
   13    HB3  GLN   2           HB3      GLN   2   1.467   2.802   4.041
   14    HG2  GLN   2           HG2      GLN   2   1.807   1.550   1.979
   15    HG3  GLN   2           HG3      GLN   2   2.603   3.124   1.929
   16   HE21  GLN   2          HE21      GLN   2   3.052  -0.293   2.008
   17   HE22  GLN   2          HE22      GLN   2   4.743  -0.288   1.673
   18    H    SER   3           H        SER   3   5.210   4.134   3.025
   19    HA   SER   3           HA       SER   3   4.490   6.833   3.538
   20    HB2  SER   3           HB2      SER   3   6.449   7.426   2.320
   21    HB3  SER   3           HB3      SER   3   6.852   6.075   3.349
   22    H    HIS   4           H        HIS   4   4.657   8.288   1.409
   23    HA   HIS   4           HA       HIS   4   2.150   7.908   0.136
   24    HB2  HIS   4           HB2      HIS   4   3.423  10.122   0.642
   25    HB3  HIS   4           HB3      HIS   4   4.323   9.786  -0.829
   26    HD1  HIS   4           HD1      HIS   4   3.159  12.212  -1.487
   27    HD2  HIS   4           HD2      HIS   4   0.644   8.916  -1.241
   28    HE1  HIS   4           HE1      HIS   4   1.034  12.906  -2.579
   29    HE2  HIS   4           HE2      HIS   4  -0.532  11.066  -1.865
   30    H    TYR   5           H        TYR   5   1.694   6.806  -1.658
   31    HA   TYR   5           HA       TYR   5   1.793   5.810  -3.587
   32    HB2  TYR   5           HB2      TYR   5   4.615   6.839  -3.821
   33    HB3  TYR   5           HB3      TYR   5   3.908   5.770  -5.029
   34    HD1  TYR   5           HD1      TYR   5   2.206   6.564  -6.540
   35    HD2  TYR   5           HD2      TYR   5   3.787   9.134  -3.546
   36    HE1  TYR   5           HE1      TYR   5   1.192   8.490  -7.671
   37    HE2  TYR   5           HE2      TYR   5   2.775  11.069  -4.669
   38    HH   TYR   5           HH       TYR   5   0.584  10.673  -7.367
   39    H    GLY   6           H        GLY   6   3.186   4.778  -0.900
   40    HA2  GLY   6           HA2      GLY   6   4.328   2.344  -1.920
   41    HA3  GLY   6           HA3      GLY   6   4.043   2.748  -0.230
   42    H    GLN   7           H        GLN   7   3.475   0.227  -1.109
   43    HA   GLN   7           HA       GLN   7   0.698   0.032  -1.850
   44    HB2  GLN   7           HB2      GLN   7   2.509  -1.576  -2.624
   45    HB3  GLN   7           HB3      GLN   7   2.514  -2.219  -0.988
   46    HG2  GLN   7           HG2      GLN   7   0.181  -2.867  -1.213
   47    HG3  GLN   7           HG3      GLN   7   0.130  -2.177  -2.832
   48   HE21  GLN   7          HE21      GLN   7  -0.478  -4.883  -2.177
   49   HE22  GLN   7          HE22      GLN   7   0.682  -5.852  -2.978
   50    H    CYS   8           H        CYS   8  -0.787   0.370  -0.390
   51    HA   CYS   8           HA       CYS   8  -0.163   0.185   2.440
   52    HB2  CYS   8           HB2      CYS   8  -2.346   1.275   2.733
   53    HB3  CYS   8           HB3      CYS   8  -1.213   2.164   1.724
   54    H    GLY   9           H        GLY   9  -1.158  -2.131   0.471
   55    HA2  GLY   9           HA2      GLY   9  -1.727  -4.200   1.739
   56    HA3  GLY   9           HA3      GLY   9  -2.849  -3.197   2.641
   57    H    GLY  10           H        GLY  10  -2.266  -4.999  -0.153
   58    HA2  GLY  10           HA2      GLY  10  -5.017  -4.624  -1.066
   59    HA3  GLY  10           HA3      GLY  10  -3.708  -5.458  -1.920
   60    H    ILE  11           H        ILE  11  -5.583  -7.088  -1.987
   61    HA   ILE  11           HA       ILE  11  -6.246  -8.577   0.273
   62    HB   ILE  11           HB       ILE  11  -6.033  -9.468  -2.614
   63   HG12  ILE  11          HG12      ILE  11  -8.438  -8.648  -0.965
   64   HG13  ILE  11          HG13      ILE  11  -7.651  -7.651  -2.180
   65   HG21  ILE  11          HG21      ILE  11  -7.341 -10.870  -0.289
   66   HG22  ILE  11          HG22      ILE  11  -5.904 -11.394  -1.174
   67   HG23  ILE  11          HG23      ILE  11  -7.469 -11.342  -1.989
   68   HD11  ILE  11          HD11      ILE  11  -9.068 -10.263  -2.668
   69   HD12  ILE  11          HD12      ILE  11  -8.274  -9.276  -3.897
   70   HD13  ILE  11          HD13      ILE  11  -9.681  -8.651  -3.039
   71    H    GLY  12           H        GLY  12  -4.933  -9.516   1.632
   72    HA2  GLY  12           HA2      GLY  12  -3.548 -11.274   2.291
   73    HA3  GLY  12           HA3      GLY  12  -2.982 -11.435   0.636
   74    H    TYR  13           H        TYR  13  -2.887  -8.217   1.408
   75    HA   TYR  13           HA       TYR  13  -0.041  -8.472   2.090
   76    HB2  TYR  13           HB2      TYR  13  -0.663  -7.254  -0.058
   77    HB3  TYR  13           HB3      TYR  13  -1.485  -6.071   0.944
   78    HD1  TYR  13           HD1      TYR  13   1.633  -7.138  -0.459
   79    HD2  TYR  13           HD2      TYR  13  -0.054  -4.668   2.566
   80    HE1  TYR  13           HE1      TYR  13   3.742  -5.880  -0.301
   81    HE2  TYR  13           HE2      TYR  13   2.041  -3.417   2.720
   82    HH   TYR  13           HH       TYR  13   4.395  -3.707   2.220
   83    H    SER  14           H        SER  14   0.125  -8.358   4.235
   84    HA   SER  14           HA       SER  14  -1.651  -6.513   5.659
   85    HB2  SER  14           HB2      SER  14  -1.390  -8.161   7.554
   86    HB3  SER  14           HB3      SER  14  -2.303  -8.729   6.156
   87    HG   SER  14           HG       SER  14  -0.943 -10.321   6.170
   88    H    GLY  15           H        GLY  15   1.304  -6.458   4.611
   89    HA2  GLY  15           HA2      GLY  15   2.848  -6.051   7.010
   90    HA3  GLY  15           HA3      GLY  15   3.357  -5.689   5.369
   91    HA   PRO  16           HA       PRO  16   2.888  -1.461   6.926
   92    HB2  PRO  16           HB2      PRO  16   3.813  -0.284   4.589
   93    HB3  PRO  16           HB3      PRO  16   4.852  -0.795   5.922
   94    HG2  PRO  16           HG2      PRO  16   4.247  -2.167   3.354
   95    HG3  PRO  16           HG3      PRO  16   5.764  -2.096   4.266
   96    HD2  PRO  16           HD2      PRO  16   4.160  -4.271   4.271
   97    HD3  PRO  16           HD3      PRO  16   5.152  -3.813   5.667
   98    H    THR  17           H        THR  17   0.770  -1.361   6.987
   99    HA   THR  17           HA       THR  17  -0.736  -1.040   4.497
  100    HB   THR  17           HB       THR  17  -2.649  -1.846   6.040
  101    HG1  THR  17           HG1      THR  17  -0.423  -2.965   7.400
  102   HG21  THR  17          HG21      THR  17  -2.113  -4.180   5.558
  103   HG22  THR  17          HG22      THR  17  -0.418  -3.756   5.327
  104   HG23  THR  17          HG23      THR  17  -1.626  -3.171   4.191
  105    H    VAL  18           H        VAL  18  -0.022   0.283   7.603
  106    HA   VAL  18           HA       VAL  18  -2.164   2.197   7.545
  107    HB   VAL  18           HB       VAL  18   0.266   2.009   9.356
  108   HG11  VAL  18          HG11      VAL  18  -0.636   4.278   9.293
  109   HG12  VAL  18          HG12      VAL  18  -0.954   3.519  10.850
  110   HG13  VAL  18          HG13      VAL  18  -2.246   3.656   9.657
  111   HG21  VAL  18          HG21      VAL  18  -2.585   1.134   9.825
  112   HG22  VAL  18          HG22      VAL  18  -1.275   1.062  11.006
  113   HG23  VAL  18          HG23      VAL  18  -1.210   0.069   9.552
  114    H    CYS  19           H        CYS  19  -2.046   3.854   6.214
  115    HA   CYS  19           HA       CYS  19   0.403   4.706   5.037
  116    HB2  CYS  19           HB2      CYS  19  -2.357   5.956   4.883
  117    HB3  CYS  19           HB3      CYS  19  -0.964   6.306   3.853
  118    H    ALA  20           H        ALA  20   1.442   6.582   5.331
  119    HA   ALA  20           HA       ALA  20   1.600   7.675   7.901
  120    HB1  ALA  20           HB1      ALA  20   3.447   7.699   6.310
  121    HB2  ALA  20           HB2      ALA  20   3.091   9.326   6.899
  122    HB3  ALA  20           HB3      ALA  20   2.560   8.831   5.294
  123    H    SER  21           H        SER  21   1.214   9.866   8.571
  124    HA   SER  21           HA       SER  21  -1.366  10.769   8.199
  125    HB2  SER  21           HB2      SER  21  -0.383  12.855   9.325
  126    HB3  SER  21           HB3      SER  21  -0.203  11.318  10.183
  127    HG   SER  21           HG       SER  21   1.736  12.325   8.419
  128    H    GLY  22           H        GLY  22  -2.212  11.639   6.429
  129    HA2  GLY  22           HA2      GLY  22  -2.264  13.572   4.973
  130    HA3  GLY  22           HA3      GLY  22  -0.523  13.393   4.778
  131    H    THR  23           H        THR  23  -1.624  10.316   4.784
  132    HA   THR  23           HA       THR  23  -2.242  10.378   1.922
  133    HB   THR  23           HB       THR  23  -0.958   8.292   1.613
  134    HG1  THR  23           HG1      THR  23  -0.446   8.669   4.365
  135   HG21  THR  23          HG21      THR  23   1.294   9.271   1.746
  136   HG22  THR  23          HG22      THR  23   0.633  10.587   2.723
  137   HG23  THR  23          HG23      THR  23   0.104  10.372   1.055
  138    H    THR  24           H        THR  24  -3.679   8.795   1.171
  139    HA   THR  24           HA       THR  24  -5.077   7.320   3.293
  140    HB   THR  24           HB       THR  24  -7.082   7.522   1.715
  141    HG1  THR  24           HG1      THR  24  -5.213   9.113   0.366
  142   HG21  THR  24          HG21      THR  24  -5.993  10.054   2.965
  143   HG22  THR  24          HG22      THR  24  -6.915   8.804   3.801
  144   HG23  THR  24          HG23      THR  24  -7.678   9.759   2.530
  145    H    CYS  25           H        CYS  25  -5.686   5.169   2.823
  146    HA   CYS  25           HA       CYS  25  -4.050   3.937   0.823
  147    HB2  CYS  25           HB2      CYS  25  -4.341   2.849   3.017
  148    HB3  CYS  25           HB3      CYS  25  -6.068   2.704   2.715
  149    H    GLN  26           H        GLN  26  -4.678   4.132  -1.196
  150    HA   GLN  26           HA       GLN  26  -7.504   3.879  -1.838
  151    HB2  GLN  26           HB2      GLN  26  -5.177   4.811  -3.531
  152    HB3  GLN  26           HB3      GLN  26  -6.869   4.825  -4.002
  153    HG2  GLN  26           HG2      GLN  26  -5.633   6.438  -1.775
  154    HG3  GLN  26           HG3      GLN  26  -6.138   7.050  -3.350
  155   HE21  GLN  26          HE21      GLN  26  -7.017   7.841  -0.699
  156   HE22  GLN  26          HE22      GLN  26  -8.709   7.592  -0.663
  157    H    VAL  27           H        VAL  27  -8.101   1.890  -2.330
  158    HA   VAL  27           HA       VAL  27  -6.194  -0.081  -3.177
  159    HB   VAL  27           HB       VAL  27  -9.227  -0.279  -3.031
  160   HG11  VAL  27          HG11      VAL  27  -8.250  -1.989  -4.478
  161   HG12  VAL  27          HG12      VAL  27  -8.863  -2.708  -2.988
  162   HG13  VAL  27          HG13      VAL  27  -7.133  -2.452  -3.194
  163   HG21  VAL  27          HG21      VAL  27  -8.871  -1.431  -0.896
  164   HG22  VAL  27          HG22      VAL  27  -8.256   0.225  -0.857
  165   HG23  VAL  27          HG23      VAL  27  -7.137  -1.128  -1.032
  166    H    LEU  28           H        LEU  28  -5.452   0.026  -5.124
  167    HA   LEU  28           HA       LEU  28  -6.953   1.311  -7.268
  168    HB2  LEU  28           HB2      LEU  28  -4.174   0.156  -7.287
  169    HB3  LEU  28           HB3      LEU  28  -4.876   1.200  -8.499
  170    HG   LEU  28           HG       LEU  28  -4.172   1.993  -5.669
  171   HD11  LEU  28          HD11      LEU  28  -2.248   1.661  -7.051
  172   HD12  LEU  28          HD12      LEU  28  -2.493   3.390  -6.778
  173   HD13  LEU  28          HD13      LEU  28  -2.935   2.665  -8.324
  174   HD21  LEU  28          HD21      LEU  28  -6.112   3.198  -6.495
  175   HD22  LEU  28          HD22      LEU  28  -5.187   3.619  -7.954
  176   HD23  LEU  28          HD23      LEU  28  -4.676   4.237  -6.376
  177    H    ASN  29           H        ASN  29  -5.441  -1.737  -6.443
  178    HA   ASN  29           HA       ASN  29  -6.959  -3.104  -8.543
  179    HB2  ASN  29           HB2      ASN  29  -4.108  -3.752  -7.646
  180    HB3  ASN  29           HB3      ASN  29  -5.065  -4.669  -8.774
  181   HD21  ASN  29          HD21      ASN  29  -4.875  -1.198  -8.922
  182   HD22  ASN  29          HD22      ASN  29  -3.921  -1.107 -10.359
  183    HA   PRO  30           HA       PRO  30  -8.225  -5.701  -5.115
  184    HB2  PRO  30           HB2      PRO  30  -6.982  -8.084  -6.405
  185    HB3  PRO  30           HB3      PRO  30  -8.629  -7.868  -5.802
  186    HG2  PRO  30           HG2      PRO  30  -8.157  -7.818  -8.403
  187    HG3  PRO  30           HG3      PRO  30  -9.295  -6.662  -7.682
  188    HD2  PRO  30           HD2      PRO  30  -6.473  -6.237  -8.582
  189    HD3  PRO  30           HD3      PRO  30  -7.872  -5.167  -8.758
  190    H    TYR  31           H        TYR  31  -4.931  -6.482  -6.248
  191    HA   TYR  31           HA       TYR  31  -4.256  -7.079  -3.459
  192    HB2  TYR  31           HB2      TYR  31  -2.604  -7.677  -5.937
  193    HB3  TYR  31           HB3      TYR  31  -2.269  -8.204  -4.299
  194    HD1  TYR  31           HD1      TYR  31  -3.801  -9.830  -3.201
  195    HD2  TYR  31           HD2      TYR  31  -4.107  -8.916  -7.333
  196    HE1  TYR  31           HE1      TYR  31  -5.124 -11.850  -3.541
  197    HE2  TYR  31           HE2      TYR  31  -5.444 -10.942  -7.692
  198    HH   TYR  31           HH       TYR  31  -5.744 -13.119  -6.588
  199    H    TYR  32           H        TYR  32  -3.648  -4.842  -6.051
  200    HA   TYR  32           HA       TYR  32  -1.496  -3.629  -4.510
  201    HB2  TYR  32           HB2      TYR  32  -1.131  -3.932  -6.951
  202    HB3  TYR  32           HB3      TYR  32  -2.444  -2.801  -7.259
  203    HD1  TYR  32           HD1      TYR  32  -1.964  -0.498  -7.502
  204    HD2  TYR  32           HD2      TYR  32   0.801  -3.038  -5.463
  205    HE1  TYR  32           HE1      TYR  32  -0.357   1.345  -7.360
  206    HE2  TYR  32           HE2      TYR  32   2.398  -1.175  -5.318
  207    HH   TYR  32           HH       TYR  32   1.512   2.035  -6.086
  208    H    SER  33           H        SER  33  -1.990  -2.202  -3.039
  209    HA   SER  33           HA       SER  33  -4.067  -0.221  -3.627
  210    HB2  SER  33           HB2      SER  33  -3.231  -1.284  -0.912
  211    HB3  SER  33           HB3      SER  33  -4.557  -0.169  -1.242
  212    HG   SER  33           HG       SER  33  -4.981  -2.528  -0.940
  213    H    GLN  34           H        GLN  34  -3.422   1.946  -2.992
  214    HA   GLN  34           HA       GLN  34  -0.602   2.186  -2.264
  215    HB2  GLN  34           HB2      GLN  34  -0.512   2.247  -4.618
  216    HB3  GLN  34           HB3      GLN  34  -1.940   3.251  -4.724
  217    HG2  GLN  34           HG2      GLN  34  -0.733   5.162  -3.974
  218    HG3  GLN  34           HG3      GLN  34   0.673   4.157  -3.585
  219   HE21  GLN  34          HE21      GLN  34   2.093   3.613  -5.176
  220   HE22  GLN  34          HE22      GLN  34   1.945   4.176  -6.804
  221    H    CYS  35           H        CYS  35  -0.148   3.814  -0.910
  222    HA   CYS  35           HA       CYS  35  -2.311   5.367   0.168
  223    HB2  CYS  35           HB2      CYS  35   0.653   5.762   0.772
  224    HB3  CYS  35           HB3      CYS  35  -0.730   6.335   1.670
  225    H    LEU  36           H        LEU  36  -3.084   7.024  -0.830
  226    HA   LEU  36           HA       LEU  36  -1.293   8.817  -2.283
  227    HB2  LEU  36           HB2      LEU  36  -4.200   8.191  -2.786
  228    HB3  LEU  36           HB3      LEU  36  -3.299   9.449  -3.606
  229    HG   LEU  36           HG       LEU  36  -2.675   6.499  -3.762
  230   HD11  LEU  36          HD11      LEU  36  -3.500   6.659  -6.048
  231   HD12  LEU  36          HD12      LEU  36  -3.958   8.342  -5.772
  232   HD13  LEU  36          HD13      LEU  36  -4.761   7.051  -4.881
  233   HD21  LEU  36          HD21      LEU  36  -1.142   7.163  -5.560
  234   HD22  LEU  36          HD22      LEU  36  -0.685   7.892  -4.024
  235   HD23  LEU  36          HD23      LEU  36  -1.512   8.858  -5.248
  236    H2   BGC 101           H2       BGC 101   8.511   4.102   0.051
  237    H3   BGC 101           H3       BGC 101   6.459   1.871   0.216
  238    H4   BGC 101           H4       BGC 101   9.304   2.241   1.169
  239    H5   BGC 101           H5       BGC 101   6.617   1.901   2.647
  240   H6C1  BGC 101           H61      BGC 101   9.483   2.231   3.614
  241   H6C2  BGC 101           H62      BGC 101   8.404   0.867   3.978
  242    H1   BGC 101           H1       BGC 101   5.776   3.877   1.387
  243    HB   BGC 101           HO2      BGC 101   7.232   3.784  -1.818
  244    HC   BGC 101           HO3      BGC 101   8.024   0.776  -1.020
  245    HD   BGC 101           HO4      BGC 101   9.053   0.105   1.923
  246    H6   BGC 101           HO6      BGC 101   7.642   3.525   4.618
  Start of MODEL    4
    1    H1   THR   1           H1       THR   1   5.747   2.657   9.041
    2    H2   THR   1           H2       THR   1   4.573   1.427   9.032
    3    H3   THR   1           H3       THR   1   4.640   2.568  10.301
    4    HA   THR   1           HA       THR   1   2.856   3.015   8.755
    5    HB   THR   1           HB       THR   1   5.054   5.106   8.809
    6    HG1  THR   1           HG1      THR   1   4.169   5.578  10.910
    7   HG21  THR   1          HG21      THR   1   2.031   5.318   8.957
    8   HG22  THR   1          HG22      THR   1   3.007   5.688   7.538
    9   HG23  THR   1          HG23      THR   1   3.170   6.665   8.997
   10    H    GLN   2           H        GLN   2   2.231   3.145   6.645
   11    HA   GLN   2           HA       GLN   2   4.190   2.394   4.681
   12    HB2  GLN   2           HB2      GLN   2   1.912   1.381   4.736
   13    HB3  GLN   2           HB3      GLN   2   1.235   2.956   4.372
   14    HG2  GLN   2           HG2      GLN   2   1.362   1.506   2.399
   15    HG3  GLN   2           HG3      GLN   2   2.311   2.979   2.216
   16   HE21  GLN   2          HE21      GLN   2   2.424  -0.435   2.663
   17   HE22  GLN   2          HE22      GLN   2   4.075  -0.644   2.232
   18    H    SER   3           H        SER   3   5.280   3.769   3.530
   19    HA   SER   3           HA       SER   3   4.828   6.531   3.690
   20    HB2  SER   3           HB2      SER   3   6.834   6.749   2.355
   21    HB3  SER   3           HB3      SER   3   7.081   5.486   3.540
   22    H    HIS   4           H        HIS   4   4.740   7.921   1.752
   23    HA   HIS   4           HA       HIS   4   2.373   7.537   0.306
   24    HB2  HIS   4           HB2      HIS   4   3.549   9.730   0.853
   25    HB3  HIS   4           HB3      HIS   4   4.689   9.346  -0.421
   26    HD1  HIS   4           HD1      HIS   4   3.885  11.655  -1.443
   27    HD2  HIS   4           HD2      HIS   4   1.011   8.674  -1.372
   28    HE1  HIS   4           HE1      HIS   4   2.019  12.463  -2.928
   29    HE2  HIS   4           HE2      HIS   4   0.212  10.892  -2.435
   30    H    TYR   5           H        TYR   5   1.959   6.572  -1.634
   31    HA   TYR   5           HA       TYR   5   2.165   5.573  -3.579
   32    HB2  TYR   5           HB2      TYR   5   5.126   6.219  -3.509
   33    HB3  TYR   5           HB3      TYR   5   4.328   5.420  -4.852
   34    HD1  TYR   5           HD1      TYR   5   5.330   8.526  -3.496
   35    HD2  TYR   5           HD2      TYR   5   2.325   6.720  -5.903
   36    HE1  TYR   5           HE1      TYR   5   4.790  10.717  -4.457
   37    HE2  TYR   5           HE2      TYR   5   1.782   8.907  -6.871
   38    HH   TYR   5           HH       TYR   5   3.771  11.604  -6.494
   39    H    GLY   6           H        GLY   6   3.219   4.448  -0.763
   40    HA2  GLY   6           HA2      GLY   6   4.283   1.939  -1.696
   41    HA3  GLY   6           HA3      GLY   6   3.933   2.391  -0.032
   42    H    GLN   7           H        GLN   7   3.269  -0.113  -1.052
   43    HA   GLN   7           HA       GLN   7   0.520  -0.108  -1.842
   44    HB2  GLN   7           HB2      GLN   7   2.247  -1.793  -2.582
   45    HB3  GLN   7           HB3      GLN   7   2.213  -2.455  -0.953
   46    HG2  GLN   7           HG2      GLN   7  -0.171  -2.989  -1.252
   47    HG3  GLN   7           HG3      GLN   7  -0.097  -2.334  -2.885
   48   HE21  GLN   7          HE21      GLN   7  -0.803  -5.039  -2.206
   49   HE22  GLN   7          HE22      GLN   7   0.379  -6.044  -2.911
   50    H    CYS   8           H        CYS   8  -0.997   0.318  -0.420
   51    HA   CYS   8           HA       CYS   8  -0.432   0.215   2.420
   52    HB2  CYS   8           HB2      CYS   8  -2.623   1.342   2.644
   53    HB3  CYS   8           HB3      CYS   8  -1.449   2.184   1.640
   54    H    GLY   9           H        GLY   9  -1.249  -2.244   0.691
   55    HA2  GLY   9           HA2      GLY   9  -1.884  -4.197   2.085
   56    HA3  GLY   9           HA3      GLY   9  -3.129  -3.167   2.771
   57    H    GLY  10           H        GLY  10  -2.111  -4.894  -0.021
   58    HA2  GLY  10           HA2      GLY  10  -4.858  -4.879  -1.008
   59    HA3  GLY  10           HA3      GLY  10  -3.442  -5.435  -1.909
   60    H    ILE  11           H        ILE  11  -5.220  -7.265  -2.021
   61    HA   ILE  11           HA       ILE  11  -5.512  -9.024   0.136
   62    HB   ILE  11           HB       ILE  11  -5.414  -9.732  -2.816
   63   HG12  ILE  11          HG12      ILE  11  -7.809  -9.065  -1.088
   64   HG13  ILE  11          HG13      ILE  11  -7.074  -7.962  -2.242
   65   HG21  ILE  11          HG21      ILE  11  -5.208 -11.686  -1.356
   66   HG22  ILE  11          HG22      ILE  11  -6.766 -11.675  -2.181
   67   HG23  ILE  11          HG23      ILE  11  -6.666 -11.205  -0.487
   68   HD11  ILE  11          HD11      ILE  11  -9.055  -8.985  -3.170
   69   HD12  ILE  11          HD12      ILE  11  -8.387 -10.589  -2.886
   70   HD13  ILE  11          HD13      ILE  11  -7.627  -9.512  -4.058
   71    H    GLY  12           H        GLY  12  -3.970 -10.057   1.196
   72    HA2  GLY  12           HA2      GLY  12  -2.293 -11.713   1.344
   73    HA3  GLY  12           HA3      GLY  12  -1.765 -11.296  -0.278
   74    H    TYR  13           H        TYR  13  -2.100  -8.374   0.917
   75    HA   TYR  13           HA       TYR  13   0.680  -8.310   1.824
   76    HB2  TYR  13           HB2      TYR  13  -0.009  -6.877  -0.149
   77    HB3  TYR  13           HB3      TYR  13  -1.073  -6.000   0.940
   78    HD1  TYR  13           HD1      TYR  13  -0.012  -4.688   2.867
   79    HD2  TYR  13           HD2      TYR  13   2.273  -6.324  -0.327
   80    HE1  TYR  13           HE1      TYR  13   1.823  -3.181   3.426
   81    HE2  TYR  13           HE2      TYR  13   4.129  -4.819   0.226
   82    HH   TYR  13           HH       TYR  13   4.412  -2.621   1.354
   83    H    SER  14           H        SER  14   0.713  -8.529   3.966
   84    HA   SER  14           HA       SER  14  -1.350  -7.172   5.537
   85    HB2  SER  14           HB2      SER  14   0.409  -9.435   6.266
   86    HB3  SER  14           HB3      SER  14  -0.965  -8.855   7.217
   87    HG   SER  14           HG       SER  14  -2.326  -9.438   5.482
   88    H    GLY  15           H        GLY  15   1.528  -6.437   4.465
   89    HA2  GLY  15           HA2      GLY  15   3.080  -5.837   6.787
   90    HA3  GLY  15           HA3      GLY  15   3.358  -5.247   5.156
   91    HA   PRO  16           HA       PRO  16   2.189  -1.515   7.556
   92    HB2  PRO  16           HB2      PRO  16   3.291   0.265   5.753
   93    HB3  PRO  16           HB3      PRO  16   4.169  -0.464   7.099
   94    HG2  PRO  16           HG2      PRO  16   4.127  -1.245   4.224
   95    HG3  PRO  16           HG3      PRO  16   5.493  -1.203   5.351
   96    HD2  PRO  16           HD2      PRO  16   4.262  -3.495   4.670
   97    HD3  PRO  16           HD3      PRO  16   4.936  -3.232   6.292
   98    H    THR  17           H        THR  17   0.053  -1.479   7.315
   99    HA   THR  17           HA       THR  17  -1.125  -0.936   4.739
  100    HB   THR  17           HB       THR  17  -3.255  -1.424   6.062
  101    HG1  THR  17           HG1      THR  17  -2.974  -1.590   8.152
  102   HG21  THR  17          HG21      THR  17  -2.177  -3.080   4.584
  103   HG22  THR  17          HG22      THR  17  -2.867  -3.863   6.004
  104   HG23  THR  17          HG23      THR  17  -1.127  -3.575   5.906
  105    H    VAL  18           H        VAL  18  -0.645   0.501   7.881
  106    HA   VAL  18           HA       VAL  18  -2.508   2.635   7.435
  107    HB   VAL  18           HB       VAL  18  -0.320   2.392   9.522
  108   HG11  VAL  18          HG11      VAL  18  -2.625   4.332   9.325
  109   HG12  VAL  18          HG12      VAL  18  -0.905   4.719   9.204
  110   HG13  VAL  18          HG13      VAL  18  -1.579   4.143  10.730
  111   HG21  VAL  18          HG21      VAL  18  -3.284   1.870   9.698
  112   HG22  VAL  18          HG22      VAL  18  -2.152   1.822  11.049
  113   HG23  VAL  18          HG23      VAL  18  -2.009   0.653   9.731
  114    H    CYS  19           H        CYS  19  -2.171   4.172   6.069
  115    HA   CYS  19           HA       CYS  19   0.382   4.797   4.957
  116    HB2  CYS  19           HB2      CYS  19  -2.258   6.235   4.670
  117    HB3  CYS  19           HB3      CYS  19  -0.839   6.410   3.641
  118    H    ALA  20           H        ALA  20   1.515   6.705   5.131
  119    HA   ALA  20           HA       ALA  20   1.782   7.900   7.620
  120    HB1  ALA  20           HB1      ALA  20   3.252   9.500   6.526
  121    HB2  ALA  20           HB2      ALA  20   2.617   9.028   4.952
  122    HB3  ALA  20           HB3      ALA  20   3.540   7.872   5.914
  123    H    SER  21           H        SER  21   1.484  10.146   8.249
  124    HA   SER  21           HA       SER  21  -1.130  10.924   8.062
  125    HB2  SER  21           HB2      SER  21  -0.121  13.071   9.142
  126    HB3  SER  21           HB3      SER  21  -0.001  11.533  10.002
  127    HG   SER  21           HG       SER  21   2.026  12.188  10.053
  128    H    GLY  22           H        GLY  22  -2.160  11.762   6.403
  129    HA2  GLY  22           HA2      GLY  22  -2.476  13.705   4.970
  130    HA3  GLY  22           HA3      GLY  22  -0.742  13.690   4.676
  131    H    THR  23           H        THR  23  -1.328  10.560   4.617
  132    HA   THR  23           HA       THR  23  -2.131  10.592   1.798
  133    HB   THR  23           HB       THR  23  -0.775   8.547   1.472
  134    HG1  THR  23           HG1      THR  23  -0.314   8.905   4.219
  135   HG21  THR  23          HG21      THR  23   0.193  10.704   0.926
  136   HG22  THR  23          HG22      THR  23   1.432   9.620   1.559
  137   HG23  THR  23          HG23      THR  23   0.755  10.888   2.586
  138    H    THR  24           H        THR  24  -3.542   8.921   1.118
  139    HA   THR  24           HA       THR  24  -4.742   7.408   3.318
  140    HB   THR  24           HB       THR  24  -6.936   7.643   2.076
  141    HG1  THR  24           HG1      THR  24  -5.288   9.182   0.444
  142   HG21  THR  24          HG21      THR  24  -7.403   9.903   2.953
  143   HG22  THR  24          HG22      THR  24  -5.674  10.174   3.152
  144   HG23  THR  24          HG23      THR  24  -6.487   8.930   4.103
  145    H    CYS  25           H        CYS  25  -5.614   5.359   2.761
  146    HA   CYS  25           HA       CYS  25  -4.051   4.043   0.771
  147    HB2  CYS  25           HB2      CYS  25  -4.533   2.959   2.915
  148    HB3  CYS  25           HB3      CYS  25  -6.254   2.969   2.545
  149    H    GLN  26           H        GLN  26  -4.544   4.172  -1.280
  150    HA   GLN  26           HA       GLN  26  -7.334   4.234  -2.083
  151    HB2  GLN  26           HB2      GLN  26  -4.816   4.768  -3.670
  152    HB3  GLN  26           HB3      GLN  26  -6.460   4.893  -4.287
  153    HG2  GLN  26           HG2      GLN  26  -5.256   6.562  -2.095
  154    HG3  GLN  26           HG3      GLN  26  -5.547   7.075  -3.756
  155   HE21  GLN  26          HE21      GLN  26  -6.562   8.102  -1.231
  156   HE22  GLN  26          HE22      GLN  26  -8.281   8.060  -1.391
  157    H    VAL  27           H        VAL  27  -8.117   2.263  -2.362
  158    HA   VAL  27           HA       VAL  27  -6.389   0.105  -3.159
  159    HB   VAL  27           HB       VAL  27  -9.406   0.104  -2.787
  160   HG11  VAL  27          HG11      VAL  27  -9.168  -2.339  -2.650
  161   HG12  VAL  27          HG12      VAL  27  -7.443  -2.182  -2.981
  162   HG13  VAL  27          HG13      VAL  27  -8.616  -1.723  -4.212
  163   HG21  VAL  27          HG21      VAL  27  -8.930  -0.982  -0.631
  164   HG22  VAL  27          HG22      VAL  27  -8.277   0.655  -0.704
  165   HG23  VAL  27          HG23      VAL  27  -7.205  -0.733  -0.897
  166    H    LEU  28           H        LEU  28  -5.744   0.199  -5.123
  167    HA   LEU  28           HA       LEU  28  -7.334   1.382  -7.231
  168    HB2  LEU  28           HB2      LEU  28  -4.577   0.151  -7.267
  169    HB3  LEU  28           HB3      LEU  28  -5.315   1.015  -8.598
  170    HG   LEU  28           HG       LEU  28  -4.668   2.266  -5.918
  171   HD11  LEU  28          HD11      LEU  28  -3.195   2.420  -8.537
  172   HD12  LEU  28          HD12      LEU  28  -2.642   1.600  -7.079
  173   HD13  LEU  28          HD13      LEU  28  -2.828   3.354  -7.086
  174   HD21  LEU  28          HD21      LEU  28  -5.005   4.349  -7.105
  175   HD22  LEU  28          HD22      LEU  28  -6.480   3.365  -7.128
  176   HD23  LEU  28          HD23      LEU  28  -5.430   3.449  -8.559
  177    H    ASN  29           H        ASN  29  -5.907  -1.701  -6.396
  178    HA   ASN  29           HA       ASN  29  -7.719  -3.065  -8.228
  179    HB2  ASN  29           HB2      ASN  29  -4.730  -3.586  -7.906
  180    HB3  ASN  29           HB3      ASN  29  -5.856  -4.635  -8.752
  181   HD21  ASN  29          HD21      ASN  29  -4.103  -1.642  -8.872
  182   HD22  ASN  29          HD22      ASN  29  -4.387  -1.316 -10.533
  183    HA   PRO  30           HA       PRO  30  -8.498  -5.717  -4.743
  184    HB2  PRO  30           HB2      PRO  30  -7.320  -8.032  -6.217
  185    HB3  PRO  30           HB3      PRO  30  -8.880  -7.903  -5.394
  186    HG2  PRO  30           HG2      PRO  30  -8.782  -7.794  -8.029
  187    HG3  PRO  30           HG3      PRO  30  -9.837  -6.682  -7.132
  188    HD2  PRO  30           HD2      PRO  30  -7.191  -6.173  -8.409
  189    HD3  PRO  30           HD3      PRO  30  -8.631  -5.134  -8.368
  190    H    TYR  31           H        TYR  31  -5.351  -6.512  -6.266
  191    HA   TYR  31           HA       TYR  31  -4.345  -7.113  -3.585
  192    HB2  TYR  31           HB2      TYR  31  -2.985  -7.534  -6.263
  193    HB3  TYR  31           HB3      TYR  31  -2.425  -8.103  -4.706
  194    HD1  TYR  31           HD1      TYR  31  -5.166  -8.512  -7.198
  195    HD2  TYR  31           HD2      TYR  31  -3.137 -10.201  -3.866
  196    HE1  TYR  31           HE1      TYR  31  -6.362 -10.608  -7.545
  197    HE2  TYR  31           HE2      TYR  31  -4.343 -12.311  -4.212
  198    HH   TYR  31           HH       TYR  31  -6.415 -13.089  -5.247
  199    H    TYR  32           H        TYR  32  -4.076  -4.783  -6.183
  200    HA   TYR  32           HA       TYR  32  -1.853  -3.589  -4.756
  201    HB2  TYR  32           HB2      TYR  32  -1.588  -3.861  -7.186
  202    HB3  TYR  32           HB3      TYR  32  -2.907  -2.715  -7.437
  203    HD1  TYR  32           HD1      TYR  32  -2.276  -0.527  -7.902
  204    HD2  TYR  32           HD2      TYR  32   0.248  -2.939  -5.455
  205    HE1  TYR  32           HE1      TYR  32  -0.672   1.301  -7.755
  206    HE2  TYR  32           HE2      TYR  32   1.865  -1.099  -5.295
  207    HH   TYR  32           HH       TYR  32   1.138   2.072  -6.442
  208    H    SER  33           H        SER  33  -2.198  -2.206  -3.267
  209    HA   SER  33           HA       SER  33  -4.269  -0.165  -3.618
  210    HB2  SER  33           HB2      SER  33  -3.320  -1.443  -1.025
  211    HB3  SER  33           HB3      SER  33  -4.613  -0.257  -1.193
  212    HG   SER  33           HG       SER  33  -5.229  -2.539  -0.998
  213    H    GLN  34           H        GLN  34  -3.443   1.963  -3.096
  214    HA   GLN  34           HA       GLN  34  -0.629   2.038  -2.275
  215    HB2  GLN  34           HB2      GLN  34  -0.492   2.163  -4.657
  216    HB3  GLN  34           HB3      GLN  34  -1.794   3.338  -4.740
  217    HG2  GLN  34           HG2      GLN  34  -0.390   5.010  -3.709
  218    HG3  GLN  34           HG3      GLN  34   0.898   3.828  -3.494
  219   HE21  GLN  34          HE21      GLN  34   2.192   3.316  -5.223
  220   HE22  GLN  34          HE22      GLN  34   2.111   4.167  -6.723
  221    H    CYS  35           H        CYS  35  -0.085   3.686  -0.958
  222    HA   CYS  35           HA       CYS  35  -2.186   5.319   0.115
  223    HB2  CYS  35           HB2      CYS  35   0.785   5.506   0.660
  224    HB3  CYS  35           HB3      CYS  35  -0.505   6.286   1.549
  225    H    LEU  36           H        LEU  36  -2.906   7.014  -0.838
  226    HA   LEU  36           HA       LEU  36  -1.063   8.916  -2.045
  227    HB2  LEU  36           HB2      LEU  36  -3.824   8.129  -3.008
  228    HB3  LEU  36           HB3      LEU  36  -2.907   9.484  -3.630
  229    HG   LEU  36           HG       LEU  36  -2.045   6.596  -3.848
  230   HD11  LEU  36          HD11      LEU  36  -2.595   6.818  -6.217
  231   HD12  LEU  36          HD12      LEU  36  -3.263   8.425  -5.916
  232   HD13  LEU  36          HD13      LEU  36  -4.017   7.000  -5.194
  233   HD21  LEU  36          HD21      LEU  36  -0.928   9.116  -5.086
  234   HD22  LEU  36          HD22      LEU  36  -0.392   7.469  -5.426
  235   HD23  LEU  36          HD23      LEU  36  -0.165   8.152  -3.820
  236    H2   BGC 101           H2       BGC 101   8.292   2.832   0.540
  237    H3   BGC 101           H3       BGC 101   5.741   1.277   0.881
  238    H4   BGC 101           H4       BGC 101   8.617   0.834   1.770
  239    H5   BGC 101           H5       BGC 101   6.025   1.387   3.348
  240   H6C1  BGC 101           H61      BGC 101   8.958   1.134   4.121
  241   H6C2  BGC 101           H62      BGC 101   7.620   0.095   4.671
  242    H1   BGC 101           H1       BGC 101   5.609   3.325   1.844
  243    HB   BGC 101           HO2      BGC 101   6.881   4.169  -0.677
  244    HC   BGC 101           HO3      BGC 101   6.805   1.093  -1.184
  245    HD   BGC 101           HO4      BGC 101   7.489  -1.051   1.211
  246    H6   BGC 101           HO6      BGC 101   7.555   2.902   5.116
  Start of MODEL    5
    1    H1   THR   1           H1       THR   1   5.044   2.273   9.306
    2    H2   THR   1           H2       THR   1   3.629   1.321   9.258
    3    H3   THR   1           H3       THR   1   3.830   2.566  10.411
    4    HA   THR   1           HA       THR   1   2.350   3.203   8.637
    5    HB   THR   1           HB       THR   1   4.823   4.917   8.742
    6    HG1  THR   1           HG1      THR   1   3.547   5.443  10.912
    7   HG21  THR   1          HG21      THR   1   3.129   6.671   9.085
    8   HG22  THR   1          HG22      THR   1   1.858   5.444   9.077
    9   HG23  THR   1          HG23      THR   1   2.800   5.750   7.620
   10    H    GLN   2           H        GLN   2   2.080   3.484   6.454
   11    HA   GLN   2           HA       GLN   2   4.239   2.511   4.760
   12    HB2  GLN   2           HB2      GLN   2   1.971   1.455   4.648
   13    HB3  GLN   2           HB3      GLN   2   1.343   2.984   4.047
   14    HG2  GLN   2           HG2      GLN   2   1.740   1.421   2.223
   15    HG3  GLN   2           HG3      GLN   2   2.788   2.833   2.108
   16   HE21  GLN   2          HE21      GLN   2   2.654  -0.534   2.859
   17   HE22  GLN   2          HE22      GLN   2   4.339  -0.850   2.754
   18    H    SER   3           H        SER   3   5.316   3.862   3.452
   19    HA   SER   3           HA       SER   3   4.871   6.617   3.473
   20    HB2  SER   3           HB2      SER   3   6.720   6.763   1.898
   21    HB3  SER   3           HB3      SER   3   7.124   5.708   3.237
   22    H    HIS   4           H        HIS   4   4.838   7.923   1.458
   23    HA   HIS   4           HA       HIS   4   2.399   7.569   0.102
   24    HB2  HIS   4           HB2      HIS   4   3.772   9.717   0.592
   25    HB3  HIS   4           HB3      HIS   4   4.680   9.309  -0.851
   26    HD1  HIS   4           HD1      HIS   4   3.602  11.819  -1.393
   27    HD2  HIS   4           HD2      HIS   4   1.033   8.572  -1.485
   28    HE1  HIS   4           HE1      HIS   4   1.587  12.601  -2.664
   29    HE2  HIS   4           HE2      HIS   4  -0.061  10.773  -2.121
   30    H    TYR   5           H        TYR   5   1.943   6.542  -1.771
   31    HA   TYR   5           HA       TYR   5   2.062   5.455  -3.655
   32    HB2  TYR   5           HB2      TYR   5   4.973   6.256  -3.855
   33    HB3  TYR   5           HB3      TYR   5   4.067   5.433  -5.116
   34    HD1  TYR   5           HD1      TYR   5   4.984   8.606  -3.835
   35    HD2  TYR   5           HD2      TYR   5   1.897   6.549  -5.886
   36    HE1  TYR   5           HE1      TYR   5   4.106  10.746  -4.640
   37    HE2  TYR   5           HE2      TYR   5   1.005   8.690  -6.705
   38    HH   TYR   5           HH       TYR   5   1.058  11.074  -5.921
   39    H    GLY   6           H        GLY   6   3.197   4.457  -0.934
   40    HA2  GLY   6           HA2      GLY   6   4.272   1.966  -1.927
   41    HA3  GLY   6           HA3      GLY   6   4.102   2.422  -0.231
   42    H    GLN   7           H        GLN   7   3.256  -0.030  -1.544
   43    HA   GLN   7           HA       GLN   7   0.420  -0.027  -1.725
   44    HB2  GLN   7           HB2      GLN   7   1.727  -1.857  -2.710
   45    HB3  GLN   7           HB3      GLN   7   2.281  -2.329  -1.112
   46    HG2  GLN   7           HG2      GLN   7  -0.189  -2.748  -0.507
   47    HG3  GLN   7           HG3      GLN   7  -0.515  -2.472  -2.190
   48   HE21  GLN   7          HE21      GLN   7  -1.336  -4.684  -2.323
   49   HE22  GLN   7          HE22      GLN   7  -0.207  -5.952  -2.530
   50    H    CYS   8           H        CYS   8  -0.794   0.473  -0.122
   51    HA   CYS   8           HA       CYS   8   0.030   0.334   2.595
   52    HB2  CYS   8           HB2      CYS   8  -2.411   0.988   2.960
   53    HB3  CYS   8           HB3      CYS   8  -1.376   2.111   2.086
   54    H    GLY   9           H        GLY   9  -2.412  -1.441   0.726
   55    HA2  GLY   9           HA2      GLY   9  -2.242  -3.589   2.616
   56    HA3  GLY   9           HA3      GLY   9  -3.711  -2.643   2.772
   57    H    GLY  10           H        GLY  10  -1.954  -4.842   0.926
   58    HA2  GLY  10           HA2      GLY  10  -4.102  -5.035  -1.048
   59    HA3  GLY  10           HA3      GLY  10  -2.528  -5.792  -1.163
   60    H    ILE  11           H        ILE  11  -5.113  -7.014  -1.393
   61    HA   ILE  11           HA       ILE  11  -5.607  -8.580   0.904
   62    HB   ILE  11           HB       ILE  11  -6.129  -9.221  -2.016
   63   HG12  ILE  11          HG12      ILE  11  -7.994  -8.141   0.106
   64   HG13  ILE  11          HG13      ILE  11  -7.269  -7.179  -1.176
   65   HG21  ILE  11          HG21      ILE  11  -6.070 -11.215  -0.651
   66   HG22  ILE  11          HG22      ILE  11  -7.713 -10.868  -1.219
   67   HG23  ILE  11          HG23      ILE  11  -7.263 -10.524   0.459
   68   HD11  ILE  11          HD11      ILE  11  -9.203  -9.459  -1.531
   69   HD12  ILE  11          HD12      ILE  11  -8.475  -8.526  -2.833
   70   HD13  ILE  11          HD13      ILE  11  -9.568  -7.744  -1.696
   71    H    GLY  12           H        GLY  12  -4.108  -9.839   1.816
   72    HA2  GLY  12           HA2      GLY  12  -2.769 -11.803   1.781
   73    HA3  GLY  12           HA3      GLY  12  -2.481 -11.502   0.072
   74    H    TYR  13           H        TYR  13  -2.260  -8.600   1.540
   75    HA   TYR  13           HA       TYR  13   0.655  -8.784   1.816
   76    HB2  TYR  13           HB2      TYR  13  -0.141  -7.182   0.062
   77    HB3  TYR  13           HB3      TYR  13  -1.159  -6.419   1.259
   78    HD1  TYR  13           HD1      TYR  13   2.397  -7.027   0.373
   79    HD2  TYR  13           HD2      TYR  13  -0.360  -4.653   2.572
   80    HE1  TYR  13           HE1      TYR  13   4.196  -5.427   0.902
   81    HE2  TYR  13           HE2      TYR  13   1.430  -3.055   3.106
   82    HH   TYR  13           HH       TYR  13   4.365  -3.068   1.507
   83    H    SER  14           H        SER  14   1.458  -8.533   3.854
   84    HA   SER  14           HA       SER  14  -0.365  -7.439   5.867
   85    HB2  SER  14           HB2      SER  14   0.824  -9.022   7.466
   86    HB3  SER  14           HB3      SER  14  -0.256  -9.770   6.284
   87    HG   SER  14           HG       SER  14   1.340 -10.744   5.447
   88    H    GLY  15           H        GLY  15   1.833  -6.227   4.245
   89    HA2  GLY  15           HA2      GLY  15   3.890  -5.502   6.115
   90    HA3  GLY  15           HA3      GLY  15   3.579  -4.746   4.560
   91    HA   PRO  16           HA       PRO  16   2.251  -1.748   7.913
   92    HB2  PRO  16           HB2      PRO  16   3.242   0.454   6.560
   93    HB3  PRO  16           HB3      PRO  16   4.115  -0.419   7.818
   94    HG2  PRO  16           HG2      PRO  16   4.382  -0.575   4.861
   95    HG3  PRO  16           HG3      PRO  16   5.631  -0.719   6.107
   96    HD2  PRO  16           HD2      PRO  16   4.606  -2.847   4.763
   97    HD3  PRO  16           HD3      PRO  16   5.217  -2.956   6.424
   98    H    THR  17           H        THR  17   0.100  -1.644   7.604
   99    HA   THR  17           HA       THR  17  -0.959  -1.047   4.991
  100    HB   THR  17           HB       THR  17  -3.152  -1.508   6.102
  101    HG1  THR  17           HG1      THR  17  -3.077  -1.385   8.138
  102   HG21  THR  17          HG21      THR  17  -1.022  -3.640   6.329
  103   HG22  THR  17          HG22      THR  17  -1.970  -3.262   4.889
  104   HG23  THR  17          HG23      THR  17  -2.764  -3.931   6.314
  105    H    VAL  18           H        VAL  18  -0.559   0.557   8.016
  106    HA   VAL  18           HA       VAL  18  -2.543   2.556   7.434
  107    HB   VAL  18           HB       VAL  18  -0.479   2.421   9.640
  108   HG11  VAL  18          HG11      VAL  18  -1.069   4.715   9.286
  109   HG12  VAL  18          HG12      VAL  18  -1.864   4.151  10.759
  110   HG13  VAL  18          HG13      VAL  18  -2.790   4.325   9.268
  111   HG21  VAL  18          HG21      VAL  18  -2.124   0.633   9.799
  112   HG22  VAL  18          HG22      VAL  18  -3.430   1.810   9.682
  113   HG23  VAL  18          HG23      VAL  18  -2.365   1.813  11.086
  114    H    CYS  19           H        CYS  19  -2.157   4.083   6.037
  115    HA   CYS  19           HA       CYS  19   0.444   4.701   5.065
  116    HB2  CYS  19           HB2      CYS  19  -2.151   6.187   4.649
  117    HB3  CYS  19           HB3      CYS  19  -0.678   6.329   3.688
  118    H    ALA  20           H        ALA  20   1.503   6.693   5.156
  119    HA   ALA  20           HA       ALA  20   1.735   7.902   7.650
  120    HB1  ALA  20           HB1      ALA  20   3.074   9.590   6.502
  121    HB2  ALA  20           HB2      ALA  20   2.469   9.026   4.943
  122    HB3  ALA  20           HB3      ALA  20   3.482   7.971   5.933
  123    H    SER  21           H        SER  21   0.928   9.809   8.509
  124    HA   SER  21           HA       SER  21  -1.703  10.460   7.998
  125    HB2  SER  21           HB2      SER  21   0.402  12.182   9.316
  126    HB3  SER  21           HB3      SER  21  -1.346  12.241   9.593
  127    HG   SER  21           HG       SER  21  -1.283  10.334  10.597
  128    H    GLY  22           H        GLY  22  -2.481  11.356   6.220
  129    HA2  GLY  22           HA2      GLY  22  -2.658  13.526   5.019
  130    HA3  GLY  22           HA3      GLY  22  -0.907  13.457   4.880
  131    H    THR  23           H        THR  23  -1.372  10.407   4.561
  132    HA   THR  23           HA       THR  23  -2.134  10.571   1.744
  133    HB   THR  23           HB       THR  23  -0.653   8.639   1.306
  134    HG1  THR  23           HG1      THR  23  -0.241   8.827   4.086
  135   HG21  THR  23          HG21      THR  23   1.504   9.806   1.517
  136   HG22  THR  23          HG22      THR  23   0.758  10.947   2.637
  137   HG23  THR  23          HG23      THR  23   0.224  10.886   0.959
  138    H    THR  24           H        THR  24  -3.431   8.915   0.951
  139    HA   THR  24           HA       THR  24  -4.840   7.470   3.085
  140    HB   THR  24           HB       THR  24  -6.830   7.662   1.542
  141    HG1  THR  24           HG1      THR  24  -4.922   9.121   0.070
  142   HG21  THR  24          HG21      THR  24  -7.345   9.980   2.213
  143   HG22  THR  24          HG22      THR  24  -5.644  10.236   2.608
  144   HG23  THR  24          HG23      THR  24  -6.601   9.078   3.533
  145    H    CYS  25           H        CYS  25  -5.314   5.341   2.751
  146    HA   CYS  25           HA       CYS  25  -3.865   3.945   0.726
  147    HB2  CYS  25           HB2      CYS  25  -4.179   2.949   2.948
  148    HB3  CYS  25           HB3      CYS  25  -5.929   2.945   2.722
  149    H    GLN  26           H        GLN  26  -4.544   4.138  -1.307
  150    HA   GLN  26           HA       GLN  26  -7.406   4.038  -1.851
  151    HB2  GLN  26           HB2      GLN  26  -5.093   4.897  -3.578
  152    HB3  GLN  26           HB3      GLN  26  -6.787   4.940  -4.053
  153    HG2  GLN  26           HG2      GLN  26  -5.560   6.507  -1.792
  154    HG3  GLN  26           HG3      GLN  26  -5.941   7.150  -3.383
  155   HE21  GLN  26          HE21      GLN  26  -6.878   7.876  -0.756
  156   HE22  GLN  26          HE22      GLN  26  -8.597   7.797  -0.791
  157    H    VAL  27           H        VAL  27  -8.091   2.092  -2.338
  158    HA   VAL  27           HA       VAL  27  -6.409   0.005  -3.291
  159    HB   VAL  27           HB       VAL  27  -9.441   0.173  -3.297
  160   HG11  VAL  27          HG11      VAL  27  -8.574  -1.572  -4.767
  161   HG12  VAL  27          HG12      VAL  27  -9.383  -2.277  -3.371
  162   HG13  VAL  27          HG13      VAL  27  -7.617  -2.221  -3.439
  163   HG21  VAL  27          HG21      VAL  27  -7.589  -0.983  -1.218
  164   HG22  VAL  27          HG22      VAL  27  -9.351  -1.103  -1.200
  165   HG23  VAL  27          HG23      VAL  27  -8.575   0.473  -1.040
  166    H    LEU  28           H        LEU  28  -5.547   0.218  -5.242
  167    HA   LEU  28           HA       LEU  28  -6.922   1.711  -7.337
  168    HB2  LEU  28           HB2      LEU  28  -4.223   0.373  -7.424
  169    HB3  LEU  28           HB3      LEU  28  -4.849   1.532  -8.570
  170    HG   LEU  28           HG       LEU  28  -4.013   2.065  -5.725
  171   HD11  LEU  28          HD11      LEU  28  -2.929   3.002  -8.364
  172   HD12  LEU  28          HD12      LEU  28  -2.209   1.778  -7.330
  173   HD13  LEU  28          HD13      LEU  28  -2.312   3.453  -6.776
  174   HD21  LEU  28          HD21      LEU  28  -4.501   4.382  -6.175
  175   HD22  LEU  28          HD22      LEU  28  -5.966   3.397  -6.312
  176   HD23  LEU  28          HD23      LEU  28  -5.123   3.953  -7.771
  177    H    ASN  29           H        ASN  29  -5.659  -1.478  -6.672
  178    HA   ASN  29           HA       ASN  29  -7.139  -2.569  -8.956
  179    HB2  ASN  29           HB2      ASN  29  -4.493  -3.592  -7.809
  180    HB3  ASN  29           HB3      ASN  29  -5.413  -4.354  -9.080
  181   HD21  ASN  29          HD21      ASN  29  -4.773  -0.905  -8.964
  182   HD22  ASN  29          HD22      ASN  29  -3.683  -0.879 -10.307
  183    HA   PRO  30           HA       PRO  30  -9.102  -5.175  -5.892
  184    HB2  PRO  30           HB2      PRO  30  -8.029  -7.608  -7.244
  185    HB3  PRO  30           HB3      PRO  30  -9.695  -7.222  -6.793
  186    HG2  PRO  30           HG2      PRO  30  -8.974  -7.027  -9.318
  187    HG3  PRO  30           HG3      PRO  30  -9.983  -5.762  -8.593
  188    HD2  PRO  30           HD2      PRO  30  -7.042  -5.731  -9.169
  189    HD3  PRO  30           HD3      PRO  30  -8.242  -4.444  -9.411
  190    H    TYR  31           H        TYR  31  -5.765  -6.033  -6.618
  191    HA   TYR  31           HA       TYR  31  -5.431  -6.852  -3.788
  192    HB2  TYR  31           HB2      TYR  31  -3.820  -7.717  -6.196
  193    HB3  TYR  31           HB3      TYR  31  -3.467  -8.156  -4.528
  194    HD1  TYR  31           HD1      TYR  31  -4.788  -9.802  -3.378
  195    HD2  TYR  31           HD2      TYR  31  -5.762  -8.666  -7.344
  196    HE1  TYR  31           HE1      TYR  31  -6.313 -11.720  -3.542
  197    HE2  TYR  31           HE2      TYR  31  -7.289 -10.579  -7.531
  198    HH   TYR  31           HH       TYR  31  -7.628 -12.775  -6.487
  199    H    TYR  32           H        TYR  32  -4.351  -4.670  -6.244
  200    HA   TYR  32           HA       TYR  32  -2.193  -3.810  -4.497
  201    HB2  TYR  32           HB2      TYR  32  -1.626  -4.016  -6.900
  202    HB3  TYR  32           HB3      TYR  32  -2.790  -2.740  -7.268
  203    HD1  TYR  32           HD1      TYR  32  -2.126  -0.457  -7.168
  204    HD2  TYR  32           HD2      TYR  32   0.253  -3.441  -5.284
  205    HE1  TYR  32           HE1      TYR  32  -0.414   1.231  -6.650
  206    HE2  TYR  32           HE2      TYR  32   1.961  -1.772  -4.773
  207    HH   TYR  32           HH       TYR  32   2.708   0.376  -5.540
  208    H    SER  33           H        SER  33  -2.481  -2.296  -3.065
  209    HA   SER  33           HA       SER  33  -4.332  -0.109  -3.656
  210    HB2  SER  33           HB2      SER  33  -3.782  -1.357  -0.944
  211    HB3  SER  33           HB3      SER  33  -4.956  -0.083  -1.303
  212    HG   SER  33           HG       SER  33  -5.439  -2.135  -2.929
  213    H    GLN  34           H        GLN  34  -3.456   1.950  -3.129
  214    HA   GLN  34           HA       GLN  34  -0.649   1.944  -2.242
  215    HB2  GLN  34           HB2      GLN  34  -0.541   2.018  -4.615
  216    HB3  GLN  34           HB3      GLN  34  -1.843   3.185  -4.713
  217    HG2  GLN  34           HG2      GLN  34  -0.441   4.905  -3.852
  218    HG3  GLN  34           HG3      GLN  34   0.863   3.744  -3.537
  219   HE21  GLN  34          HE21      GLN  34   2.106   3.062  -5.264
  220   HE22  GLN  34          HE22      GLN  34   2.018   3.765  -6.826
  221    H    CYS  35           H        CYS  35  -0.059   3.650  -0.965
  222    HA   CYS  35           HA       CYS  35  -2.153   5.323   0.069
  223    HB2  CYS  35           HB2      CYS  35   0.817   5.584   0.599
  224    HB3  CYS  35           HB3      CYS  35  -0.531   6.278   1.492
  225    H    LEU  36           H        LEU  36  -2.836   7.017  -0.911
  226    HA   LEU  36           HA       LEU  36  -1.010   8.619  -2.523
  227    HB2  LEU  36           HB2      LEU  36  -3.950   8.055  -2.903
  228    HB3  LEU  36           HB3      LEU  36  -3.039   9.231  -3.838
  229    HG   LEU  36           HG       LEU  36  -2.358   6.291  -3.762
  230   HD11  LEU  36          HD11      LEU  36  -3.323   6.153  -5.963
  231   HD12  LEU  36          HD12      LEU  36  -3.898   7.822  -5.843
  232   HD13  LEU  36          HD13      LEU  36  -4.546   6.579  -4.772
  233   HD21  LEU  36          HD21      LEU  36  -1.476   8.538  -5.555
  234   HD22  LEU  36          HD22      LEU  36  -1.042   6.842  -5.740
  235   HD23  LEU  36          HD23      LEU  36  -0.500   7.740  -4.324
  236    H2   BGC 101           H2       BGC 101   8.542   2.781   0.721
  237    H3   BGC 101           H3       BGC 101   6.291   0.890   1.429
  238    H4   BGC 101           H4       BGC 101   9.122   1.232   2.533
  239    H5   BGC 101           H5       BGC 101   6.341   1.700   3.757
  240   H6C1  BGC 101           H61      BGC 101   9.161   2.188   4.800
  241   H6C2  BGC 101           H62      BGC 101   7.981   1.049   5.492
  242    H1   BGC 101           H1       BGC 101   5.758   3.156   1.925
  243    HB   BGC 101           HO2      BGC 101   7.319   1.957  -1.020
  244    HC   BGC 101           HO3      BGC 101   7.737  -0.695   0.681
  245    HD   BGC 101           HO4      BGC 101   8.382  -0.952   2.498
  246    H6   BGC 101           HO6      BGC 101   6.691   2.808   6.134
  Start of MODEL    6
    1    H1   THR   1           H1       THR   1   5.001   1.849   8.956
    2    H2   THR   1           H2       THR   1   4.801   2.866  10.330
    3    H3   THR   1           H3       THR   1   5.861   3.292   9.067
    4    HA   THR   1           HA       THR   1   2.976   3.049   8.791
    5    HB   THR   1           HB       THR   1   4.731   5.517   8.938
    6    HG1  THR   1           HG1      THR   1   3.946   5.756  11.009
    7   HG21  THR   1          HG21      THR   1   2.646   5.761   7.647
    8   HG22  THR   1          HG22      THR   1   2.594   6.690   9.146
    9   HG23  THR   1          HG23      THR   1   1.727   5.161   9.027
   10    H    GLN   2           H        GLN   2   2.378   3.037   6.655
   11    HA   GLN   2           HA       GLN   2   4.408   2.688   4.686
   12    HB2  GLN   2           HB2      GLN   2   2.272   1.423   4.677
   13    HB3  GLN   2           HB3      GLN   2   1.404   2.922   4.407
   14    HG2  GLN   2           HG2      GLN   2   1.619   1.646   2.354
   15    HG3  GLN   2           HG3      GLN   2   2.472   3.181   2.247
   16   HE21  GLN   2          HE21      GLN   2   2.794  -0.257   2.415
   17   HE22  GLN   2          HE22      GLN   2   4.442  -0.319   1.934
   18    H    SER   3           H        SER   3   5.239   4.167   3.400
   19    HA   SER   3           HA       SER   3   4.518   6.885   3.792
   20    HB2  SER   3           HB2      SER   3   6.490   7.409   2.599
   21    HB3  SER   3           HB3      SER   3   6.875   6.058   3.645
   22    H    HIS   4           H        HIS   4   4.822   8.208   1.529
   23    HA   HIS   4           HA       HIS   4   2.324   7.758   0.211
   24    HB2  HIS   4           HB2      HIS   4   3.434  10.031   0.702
   25    HB3  HIS   4           HB3      HIS   4   4.521   9.669  -0.626
   26    HD1  HIS   4           HD1      HIS   4   3.546  11.891  -1.759
   27    HD2  HIS   4           HD2      HIS   4   0.809   8.808  -1.290
   28    HE1  HIS   4           HE1      HIS   4   1.589  12.521  -3.153
   29    HE2  HIS   4           HE2      HIS   4  -0.145  10.913  -2.492
   30    H    TYR   5           H        TYR   5   1.959   6.722  -1.660
   31    HA   TYR   5           HA       TYR   5   2.198   5.653  -3.557
   32    HB2  TYR   5           HB2      TYR   5   5.087   6.552  -3.576
   33    HB3  TYR   5           HB3      TYR   5   4.364   5.585  -4.850
   34    HD1  TYR   5           HD1      TYR   5   4.846   8.904  -3.549
   35    HD2  TYR   5           HD2      TYR   5   2.449   6.567  -6.164
   36    HE1  TYR   5           HE1      TYR   5   4.101  10.951  -4.685
   37    HE2  TYR   5           HE2      TYR   5   1.692   8.609  -7.305
   38    HH   TYR   5           HH       TYR   5   1.483  10.957  -6.880
   39    H    GLY   6           H        GLY   6   3.246   4.658  -0.749
   40    HA2  GLY   6           HA2      GLY   6   4.472   2.193  -1.649
   41    HA3  GLY   6           HA3      GLY   6   4.102   2.642   0.015
   42    H    GLN   7           H        GLN   7   3.524   0.113  -1.277
   43    HA   GLN   7           HA       GLN   7   0.707   0.052  -1.789
   44    HB2  GLN   7           HB2      GLN   7   2.344  -1.560  -2.797
   45    HB3  GLN   7           HB3      GLN   7   2.545  -2.271  -1.201
   46    HG2  GLN   7           HG2      GLN   7   0.121  -2.809  -1.182
   47    HG3  GLN   7           HG3      GLN   7   0.008  -2.164  -2.808
   48   HE21  GLN   7          HE21      GLN   7  -0.563  -4.875  -1.996
   49   HE22  GLN   7          HE22      GLN   7   0.514  -5.868  -2.906
   50    H    CYS   8           H        CYS   8  -0.587   0.475  -0.168
   51    HA   CYS   8           HA       CYS   8   0.065   0.081   2.558
   52    HB2  CYS   8           HB2      CYS   8  -2.430   0.636   2.836
   53    HB3  CYS   8           HB3      CYS   8  -1.360   1.862   2.155
   54    H    GLY   9           H        GLY   9  -2.009  -1.727   0.330
   55    HA2  GLY   9           HA2      GLY   9  -1.624  -4.161   1.380
   56    HA3  GLY   9           HA3      GLY   9  -2.765  -3.459   2.512
   57    H    GLY  10           H        GLY  10  -2.326  -5.034  -0.390
   58    HA2  GLY  10           HA2      GLY  10  -5.153  -4.754  -1.126
   59    HA3  GLY  10           HA3      GLY  10  -3.886  -5.493  -2.109
   60    H    ILE  11           H        ILE  11  -5.730  -7.180  -2.056
   61    HA   ILE  11           HA       ILE  11  -6.125  -8.808   0.168
   62    HB   ILE  11           HB       ILE  11  -6.083  -9.600  -2.766
   63   HG12  ILE  11          HG12      ILE  11  -8.407  -8.951  -0.930
   64   HG13  ILE  11          HG13      ILE  11  -7.751  -7.867  -2.150
   65   HG21  ILE  11          HG21      ILE  11  -7.186 -11.135  -0.406
   66   HG22  ILE  11          HG22      ILE  11  -5.792 -11.586  -1.390
   67   HG23  ILE  11          HG23      ILE  11  -7.405 -11.568  -2.103
   68   HD11  ILE  11          HD11      ILE  11  -9.792  -8.945  -2.912
   69   HD12  ILE  11          HD12      ILE  11  -9.061 -10.533  -2.667
   70   HD13  ILE  11          HD13      ILE  11  -8.419  -9.446  -3.897
   71    H    GLY  12           H        GLY  12  -4.646  -9.761   1.360
   72    HA2  GLY  12           HA2      GLY  12  -3.170 -11.623   1.628
   73    HA3  GLY  12           HA3      GLY  12  -2.517 -11.285   0.032
   74    H    TYR  13           H        TYR  13  -2.372  -8.406   0.596
   75    HA   TYR  13           HA       TYR  13   0.305  -8.476   1.642
   76    HB2  TYR  13           HB2      TYR  13  -0.368  -6.975  -0.250
   77    HB3  TYR  13           HB3      TYR  13  -1.338  -6.050   0.880
   78    HD1  TYR  13           HD1      TYR  13   1.953  -6.600  -0.473
   79    HD2  TYR  13           HD2      TYR  13  -0.140  -4.781   2.752
   80    HE1  TYR  13           HE1      TYR  13   3.923  -5.234   0.028
   81    HE2  TYR  13           HE2      TYR  13   1.804  -3.410   3.269
   82    HH   TYR  13           HH       TYR  13   4.421  -3.093   1.128
   83    H    SER  14           H        SER  14   0.673  -8.554   3.714
   84    HA   SER  14           HA       SER  14  -1.168  -7.193   5.563
   85    HB2  SER  14           HB2      SER  14   0.449  -9.636   5.980
   86    HB3  SER  14           HB3      SER  14  -0.754  -9.003   7.110
   87    HG   SER  14           HG       SER  14  -1.201 -10.016   4.484
   88    H    GLY  15           H        GLY  15   1.228  -6.044   4.355
   89    HA2  GLY  15           HA2      GLY  15   3.227  -6.052   6.490
   90    HA3  GLY  15           HA3      GLY  15   3.413  -5.319   4.906
   91    HA   PRO  16           HA       PRO  16   2.646  -1.621   7.524
   92    HB2  PRO  16           HB2      PRO  16   3.575   0.149   5.617
   93    HB3  PRO  16           HB3      PRO  16   4.587  -0.602   6.848
   94    HG2  PRO  16           HG2      PRO  16   4.258  -1.310   3.980
   95    HG3  PRO  16           HG3      PRO  16   5.702  -1.385   4.995
   96    HD2  PRO  16           HD2      PRO  16   4.244  -3.566   4.308
   97    HD3  PRO  16           HD3      PRO  16   5.169  -3.465   5.818
   98    H    THR  17           H        THR  17   0.488  -1.663   7.471
   99    HA   THR  17           HA       THR  17  -0.945  -1.251   5.024
  100    HB   THR  17           HB       THR  17  -2.899  -1.713   6.595
  101    HG1  THR  17           HG1      THR  17  -2.323  -1.677   8.606
  102   HG21  THR  17          HG21      THR  17  -1.954  -3.394   5.062
  103   HG22  THR  17          HG22      THR  17  -2.377  -4.145   6.606
  104   HG23  THR  17          HG23      THR  17  -0.694  -3.762   6.232
  105    H    VAL  18           H        VAL  18  -0.316   0.551   7.981
  106    HA   VAL  18           HA       VAL  18  -2.420   2.447   7.346
  107    HB   VAL  18           HB       VAL  18  -0.390   2.562   9.600
  108   HG11  VAL  18          HG11      VAL  18  -2.920   4.141   9.146
  109   HG12  VAL  18          HG12      VAL  18  -1.265   4.762   9.088
  110   HG13  VAL  18          HG13      VAL  18  -1.944   4.188  10.612
  111   HG21  VAL  18          HG21      VAL  18  -2.225   1.815  11.042
  112   HG22  VAL  18          HG22      VAL  18  -1.841   0.615   9.805
  113   HG23  VAL  18          HG23      VAL  18  -3.263   1.641   9.628
  114    H    CYS  19           H        CYS  19  -2.154   4.241   6.273
  115    HA   CYS  19           HA       CYS  19   0.437   4.848   5.148
  116    HB2  CYS  19           HB2      CYS  19  -2.227   6.198   4.711
  117    HB3  CYS  19           HB3      CYS  19  -0.785   6.323   3.706
  118    H    ALA  20           H        ALA  20   1.466   6.821   5.374
  119    HA   ALA  20           HA       ALA  20   1.433   8.079   7.878
  120    HB1  ALA  20           HB1      ALA  20   2.951   9.707   6.894
  121    HB2  ALA  20           HB2      ALA  20   2.513   9.159   5.278
  122    HB3  ALA  20           HB3      ALA  20   3.370   8.075   6.373
  123    H    SER  21           H        SER  21   0.829  10.213   8.492
  124    HA   SER  21           HA       SER  21  -1.722  11.025   7.835
  125    HB2  SER  21           HB2      SER  21   0.521  12.707   8.959
  126    HB3  SER  21           HB3      SER  21  -1.214  12.974   9.169
  127    HG   SER  21           HG       SER  21  -0.348  11.962  10.963
  128    H    GLY  22           H        GLY  22  -2.432  11.859   5.958
  129    HA2  GLY  22           HA2      GLY  22  -2.338  13.820   4.497
  130    HA3  GLY  22           HA3      GLY  22  -0.597  13.560   4.402
  131    H    THR  23           H        THR  23  -1.476  10.556   4.506
  132    HA   THR  23           HA       THR  23  -2.215  10.381   1.682
  133    HB   THR  23           HB       THR  23  -0.769   8.394   1.442
  134    HG1  THR  23           HG1      THR  23  -0.309   8.890   4.183
  135   HG21  THR  23          HG21      THR  23   0.706  10.779   2.553
  136   HG22  THR  23          HG22      THR  23   0.188  10.557   0.879
  137   HG23  THR  23          HG23      THR  23   1.417   9.500   1.571
  138    H    THR  24           H        THR  24  -3.539   8.612   1.130
  139    HA   THR  24           HA       THR  24  -4.603   7.064   3.377
  140    HB   THR  24           HB       THR  24  -6.812   7.190   2.000
  141    HG1  THR  24           HG1      THR  24  -5.316   8.868   0.542
  142   HG21  THR  24          HG21      THR  24  -5.840   9.524   3.652
  143   HG22  THR  24          HG22      THR  24  -6.577   8.039   4.268
  144   HG23  THR  24          HG23      THR  24  -7.526   9.152   3.285
  145    H    CYS  25           H        CYS  25  -5.186   4.932   2.904
  146    HA   CYS  25           HA       CYS  25  -3.800   3.762   0.747
  147    HB2  CYS  25           HB2      CYS  25  -4.155   2.578   2.865
  148    HB3  CYS  25           HB3      CYS  25  -5.893   2.566   2.585
  149    H    GLN  26           H        GLN  26  -4.421   4.059  -1.276
  150    HA   GLN  26           HA       GLN  26  -7.256   4.088  -1.958
  151    HB2  GLN  26           HB2      GLN  26  -4.811   4.515  -3.683
  152    HB3  GLN  26           HB3      GLN  26  -6.473   4.740  -4.189
  153    HG2  GLN  26           HG2      GLN  26  -4.984   6.366  -2.143
  154    HG3  GLN  26           HG3      GLN  26  -5.389   6.849  -3.790
  155   HE21  GLN  26          HE21      GLN  26  -6.029   8.135  -1.344
  156   HE22  GLN  26          HE22      GLN  26  -7.748   8.233  -1.241
  157    H    VAL  27           H        VAL  27  -8.070   2.104  -2.278
  158    HA   VAL  27           HA       VAL  27  -6.397  -0.063  -3.121
  159    HB   VAL  27           HB       VAL  27  -9.438   0.071  -2.941
  160   HG11  VAL  27          HG11      VAL  27  -8.683  -1.696  -4.451
  161   HG12  VAL  27          HG12      VAL  27  -9.366  -2.373  -2.972
  162   HG13  VAL  27          HG13      VAL  27  -7.616  -2.320  -3.196
  163   HG21  VAL  27          HG21      VAL  27  -8.367   0.413  -0.772
  164   HG22  VAL  27          HG22      VAL  27  -7.410  -1.048  -1.005
  165   HG23  VAL  27          HG23      VAL  27  -9.163  -1.162  -0.835
  166    H    LEU  28           H        LEU  28  -5.557   0.259  -5.028
  167    HA   LEU  28           HA       LEU  28  -6.974   1.503  -7.200
  168    HB2  LEU  28           HB2      LEU  28  -4.277   0.145  -7.134
  169    HB3  LEU  28           HB3      LEU  28  -4.906   1.064  -8.484
  170    HG   LEU  28           HG       LEU  28  -4.276   2.218  -5.757
  171   HD11  LEU  28          HD11      LEU  28  -2.274   1.539  -6.917
  172   HD12  LEU  28          HD12      LEU  28  -2.403   3.299  -6.907
  173   HD13  LEU  28          HD13      LEU  28  -2.789   2.392  -8.370
  174   HD21  LEU  28          HD21      LEU  28  -6.049   3.433  -6.909
  175   HD22  LEU  28          HD22      LEU  28  -5.024   3.524  -8.352
  176   HD23  LEU  28          HD23      LEU  28  -4.539   4.361  -6.876
  177    H    ASN  29           H        ASN  29  -5.880  -1.685  -6.305
  178    HA   ASN  29           HA       ASN  29  -7.748  -2.887  -8.167
  179    HB2  ASN  29           HB2      ASN  29  -4.807  -3.690  -7.954
  180    HB3  ASN  29           HB3      ASN  29  -6.056  -4.548  -8.843
  181   HD21  ASN  29          HD21      ASN  29  -3.903  -1.869  -8.823
  182   HD22  ASN  29          HD22      ASN  29  -4.130  -1.401 -10.467
  183    HA   PRO  30           HA       PRO  30  -8.598  -5.488  -4.691
  184    HB2  PRO  30           HB2      PRO  30  -7.724  -7.863  -6.289
  185    HB3  PRO  30           HB3      PRO  30  -9.202  -7.625  -5.346
  186    HG2  PRO  30           HG2      PRO  30  -9.343  -7.408  -7.960
  187    HG3  PRO  30           HG3      PRO  30 -10.142  -6.195  -6.946
  188    HD2  PRO  30           HD2      PRO  30  -7.536  -5.993  -8.407
  189    HD3  PRO  30           HD3      PRO  30  -8.838  -4.793  -8.274
  190    H    TYR  31           H        TYR  31  -5.519  -6.425  -6.296
  191    HA   TYR  31           HA       TYR  31  -4.518  -7.148  -3.621
  192    HB2  TYR  31           HB2      TYR  31  -3.293  -7.640  -6.344
  193    HB3  TYR  31           HB3      TYR  31  -2.577  -8.102  -4.817
  194    HD1  TYR  31           HD1      TYR  31  -3.030 -10.181  -3.898
  195    HD2  TYR  31           HD2      TYR  31  -5.573  -8.696  -6.963
  196    HE1  TYR  31           HE1      TYR  31  -4.117 -12.365  -4.045
  197    HE2  TYR  31           HE2      TYR  31  -6.677 -10.885  -7.114
  198    HH   TYR  31           HH       TYR  31  -6.107 -13.362  -4.794
  199    H    TYR  32           H        TYR  32  -4.095  -4.815  -6.201
  200    HA   TYR  32           HA       TYR  32  -1.824  -3.750  -4.741
  201    HB2  TYR  32           HB2      TYR  32  -1.528  -4.035  -7.195
  202    HB3  TYR  32           HB3      TYR  32  -2.762  -2.805  -7.450
  203    HD1  TYR  32           HD1      TYR  32  -2.042  -0.594  -7.763
  204    HD2  TYR  32           HD2      TYR  32   0.421  -3.270  -5.542
  205    HE1  TYR  32           HE1      TYR  32  -0.341   1.154  -7.544
  206    HE2  TYR  32           HE2      TYR  32   2.137  -1.516  -5.318
  207    HH   TYR  32           HH       TYR  32   1.533   1.750  -6.193
  208    H    SER  33           H        SER  33  -2.144  -2.312  -3.245
  209    HA   SER  33           HA       SER  33  -4.116  -0.199  -3.734
  210    HB2  SER  33           HB2      SER  33  -3.388  -1.417  -1.049
  211    HB3  SER  33           HB3      SER  33  -4.613  -0.189  -1.344
  212    HG   SER  33           HG       SER  33  -5.202  -2.533  -1.125
  213    H    GLN  34           H        GLN  34  -3.316   1.898  -3.120
  214    HA   GLN  34           HA       GLN  34  -0.532   1.947  -2.207
  215    HB2  GLN  34           HB2      GLN  34  -0.323   2.053  -4.593
  216    HB3  GLN  34           HB3      GLN  34  -1.600   3.247  -4.709
  217    HG2  GLN  34           HG2      GLN  34  -0.190   4.908  -3.660
  218    HG3  GLN  34           HG3      GLN  34   1.075   3.707  -3.417
  219   HE21  GLN  34          HE21      GLN  34   2.449   3.220  -5.080
  220   HE22  GLN  34          HE22      GLN  34   2.392   4.000  -6.610
  221    H    CYS  35           H        CYS  35  -0.015   3.596  -0.875
  222    HA   CYS  35           HA       CYS  35  -2.140   5.185   0.182
  223    HB2  CYS  35           HB2      CYS  35   0.828   5.346   0.749
  224    HB3  CYS  35           HB3      CYS  35  -0.440   6.155   1.650
  225    H    LEU  36           H        LEU  36  -2.916   6.801  -0.838
  226    HA   LEU  36           HA       LEU  36  -1.168   8.847  -1.940
  227    HB2  LEU  36           HB2      LEU  36  -3.813   7.913  -3.083
  228    HB3  LEU  36           HB3      LEU  36  -2.877   9.269  -3.658
  229    HG   LEU  36           HG       LEU  36  -2.011   6.378  -3.809
  230   HD11  LEU  36          HD11      LEU  36  -2.356   6.629  -6.218
  231   HD12  LEU  36          HD12      LEU  36  -3.001   8.249  -5.958
  232   HD13  LEU  36          HD13      LEU  36  -3.855   6.844  -5.320
  233   HD21  LEU  36          HD21      LEU  36  -0.209   7.227  -5.229
  234   HD22  LEU  36          HD22      LEU  36  -0.114   7.900  -3.603
  235   HD23  LEU  36          HD23      LEU  36  -0.747   8.879  -4.930
  236    H2   BGC 101           H2       BGC 101   8.392   3.974   0.379
  237    H3   BGC 101           H3       BGC 101   6.189   1.895   0.481
  238    H4   BGC 101           H4       BGC 101   9.044   1.939   1.540
  239    H5   BGC 101           H5       BGC 101   6.287   1.889   2.896
  240   H6C1  BGC 101           H61      BGC 101   9.096   2.009   4.061
  241   H6C2  BGC 101           H62      BGC 101   7.933   0.678   4.286
  242    H1   BGC 101           H1       BGC 101   5.655   3.915   1.695
  243    HB   BGC 101           HO2      BGC 101   6.701   5.131  -0.680
  244    HC   BGC 101           HO3      BGC 101   7.318   2.130  -1.496
  245    HD   BGC 101           HO4      BGC 101   8.458  -0.180   2.310
  246    H6   BGC 101           HO6      BGC 101   7.548   3.392   5.086
  Start of MODEL    7
    1    H1   THR   1           H1       THR   1   3.770   0.877   8.846
    2    H2   THR   1           H2       THR   1   3.980   1.943  10.163
    3    H3   THR   1           H3       THR   1   5.142   1.845   8.952
    4    HA   THR   1           HA       THR   1   2.401   2.759   8.493
    5    HB   THR   1           HB       THR   1   4.919   4.425   8.696
    6    HG1  THR   1           HG1      THR   1   4.640   4.370  10.801
    7   HG21  THR   1          HG21      THR   1   1.972   5.144   8.803
    8   HG22  THR   1          HG22      THR   1   3.038   5.403   7.424
    9   HG23  THR   1          HG23      THR   1   3.313   6.281   8.929
   10    H    GLN   2           H        GLN   2   2.065   3.314   6.335
   11    HA   GLN   2           HA       GLN   2   4.120   2.345   4.499
   12    HB2  GLN   2           HB2      GLN   2   1.852   1.315   4.419
   13    HB3  GLN   2           HB3      GLN   2   1.189   2.880   3.994
   14    HG2  GLN   2           HG2      GLN   2   1.458   1.449   2.036
   15    HG3  GLN   2           HG3      GLN   2   2.447   2.905   1.938
   16   HE21  GLN   2          HE21      GLN   2   2.462  -0.517   2.355
   17   HE22  GLN   2          HE22      GLN   2   4.138  -0.753   2.074
   18    H    SER   3           H        SER   3   5.203   3.722   3.282
   19    HA   SER   3           HA       SER   3   4.813   6.482   3.486
   20    HB2  SER   3           HB2      SER   3   6.733   6.677   1.987
   21    HB3  SER   3           HB3      SER   3   7.058   5.503   3.241
   22    H    HIS   4           H        HIS   4   4.711   7.924   1.558
   23    HA   HIS   4           HA       HIS   4   2.261   7.588   0.210
   24    HB2  HIS   4           HB2      HIS   4   3.505   9.771   0.780
   25    HB3  HIS   4           HB3      HIS   4   4.502   9.448  -0.626
   26    HD1  HIS   4           HD1      HIS   4   3.628  11.711  -1.661
   27    HD2  HIS   4           HD2      HIS   4   0.678   8.870  -1.003
   28    HE1  HIS   4           HE1      HIS   4   1.591  12.566  -2.849
   29    HE2  HIS   4           HE2      HIS   4  -0.231  10.976  -2.154
   30    H    TYR   5           H        TYR   5   1.776   6.640  -1.689
   31    HA   TYR   5           HA       TYR   5   1.870   5.600  -3.589
   32    HB2  TYR   5           HB2      TYR   5   4.740   6.522  -3.797
   33    HB3  TYR   5           HB3      TYR   5   3.988   5.504  -5.008
   34    HD1  TYR   5           HD1      TYR   5   3.910   8.858  -3.469
   35    HD2  TYR   5           HD2      TYR   5   2.406   6.373  -6.563
   36    HE1  TYR   5           HE1      TYR   5   2.947  10.819  -4.580
   37    HE2  TYR   5           HE2      TYR   5   1.451   8.325  -7.683
   38    HH   TYR   5           HH       TYR   5   2.271  11.451  -6.880
   39    H    GLY   6           H        GLY   6   3.118   4.570  -0.886
   40    HA2  GLY   6           HA2      GLY   6   4.250   2.090  -1.829
   41    HA3  GLY   6           HA3      GLY   6   3.940   2.545  -0.156
   42    H    GLN   7           H        GLN   7   3.297   0.020  -0.978
   43    HA   GLN   7           HA       GLN   7   0.546  -0.057  -1.836
   44    HB2  GLN   7           HB2      GLN   7   2.339  -1.713  -2.521
   45    HB3  GLN   7           HB3      GLN   7   2.253  -2.356  -0.892
   46    HG2  GLN   7           HG2      GLN   7  -0.129  -2.867  -1.255
   47    HG3  GLN   7           HG3      GLN   7   0.026  -2.297  -2.913
   48   HE21  GLN   7          HE21      GLN   7  -0.685  -4.999  -2.135
   49   HE22  GLN   7          HE22      GLN   7   0.548  -6.012  -2.759
   50    H    CYS   8           H        CYS   8  -0.922   0.449  -0.379
   51    HA   CYS   8           HA       CYS   8  -0.380   0.287   2.459
   52    HB2  CYS   8           HB2      CYS   8  -2.573   1.380   2.731
   53    HB3  CYS   8           HB3      CYS   8  -1.465   2.245   1.668
   54    H    GLY   9           H        GLY   9  -1.134  -2.133   0.685
   55    HA2  GLY   9           HA2      GLY   9  -1.675  -4.173   1.882
   56    HA3  GLY   9           HA3      GLY   9  -2.854  -3.244   2.790
   57    H    GLY  10           H        GLY  10  -2.195  -4.967  -0.086
   58    HA2  GLY  10           HA2      GLY  10  -4.985  -4.676  -0.952
   59    HA3  GLY  10           HA3      GLY  10  -3.673  -5.409  -1.872
   60    H    ILE  11           H        ILE  11  -5.403  -7.148  -1.997
   61    HA   ILE  11           HA       ILE  11  -5.821  -8.806   0.241
   62    HB   ILE  11           HB       ILE  11  -5.759  -9.540  -2.711
   63   HG12  ILE  11          HG12      ILE  11  -8.107  -8.917  -0.903
   64   HG13  ILE  11          HG13      ILE  11  -7.460  -7.852  -2.147
   65   HG21  ILE  11          HG21      ILE  11  -6.894 -11.090  -0.385
   66   HG22  ILE  11          HG22      ILE  11  -5.457 -11.518  -1.314
   67   HG23  ILE  11          HG23      ILE  11  -7.045 -11.526  -2.086
   68   HD11  ILE  11          HD11      ILE  11  -8.082  -9.467  -3.858
   69   HD12  ILE  11          HD12      ILE  11  -9.479  -8.997  -2.885
   70   HD13  ILE  11          HD13      ILE  11  -8.699 -10.553  -2.612
   71    H    GLY  12           H        GLY  12  -4.396 -10.010   1.300
   72    HA2  GLY  12           HA2      GLY  12  -2.730 -11.623   1.564
   73    HA3  GLY  12           HA3      GLY  12  -2.277 -11.395  -0.118
   74    H    TYR  13           H        TYR  13  -2.568  -8.457   1.522
   75    HA   TYR  13           HA       TYR  13   0.342  -8.416   1.955
   76    HB2  TYR  13           HB2      TYR  13  -0.501  -6.975   0.069
   77    HB3  TYR  13           HB3      TYR  13  -1.427  -6.063   1.248
   78    HD1  TYR  13           HD1      TYR  13   1.731  -6.482  -0.381
   79    HD2  TYR  13           HD2      TYR  13  -0.087  -4.763   3.056
   80    HE1  TYR  13           HE1      TYR  13   3.687  -5.018  -0.085
   81    HE2  TYR  13           HE2      TYR  13   1.861  -3.297   3.359
   82    HH   TYR  13           HH       TYR  13   4.162  -2.801   0.979
   83    H    SER  14           H        SER  14   0.605  -8.632   4.118
   84    HA   SER  14           HA       SER  14  -1.192  -7.108   5.849
   85    HB2  SER  14           HB2      SER  14  -0.502  -8.785   7.600
   86    HB3  SER  14           HB3      SER  14  -1.419  -9.455   6.250
   87    HG   SER  14           HG       SER  14   0.162 -10.787   6.182
   88    H    GLY  15           H        GLY  15   1.476  -6.444   4.450
   89    HA2  GLY  15           HA2      GLY  15   3.264  -5.898   6.640
   90    HA3  GLY  15           HA3      GLY  15   3.451  -5.364   4.974
   91    HA   PRO  16           HA       PRO  16   2.538  -1.492   7.268
   92    HB2  PRO  16           HB2      PRO  16   3.507   0.114   5.205
   93    HB3  PRO  16           HB3      PRO  16   4.431  -0.418   6.609
   94    HG2  PRO  16           HG2      PRO  16   4.442  -1.445   3.832
   95    HG3  PRO  16           HG3      PRO  16   5.746  -1.418   5.027
   96    HD2  PRO  16           HD2      PRO  16   4.335  -3.648   4.335
   97    HD3  PRO  16           HD3      PRO  16   5.133  -3.438   5.906
   98    H    THR  17           H        THR  17   0.397  -1.346   7.227
   99    HA   THR  17           HA       THR  17  -1.036  -0.968   4.728
  100    HB   THR  17           HB       THR  17  -2.979  -1.326   6.377
  101    HG1  THR  17           HG1      THR  17  -2.387  -2.250   8.336
  102   HG21  THR  17          HG21      THR  17  -0.958  -3.529   5.883
  103   HG22  THR  17          HG22      THR  17  -2.214  -3.019   4.754
  104   HG23  THR  17          HG23      THR  17  -2.657  -3.765   6.290
  105    H    VAL  18           H        VAL  18  -0.656   0.439   7.937
  106    HA   VAL  18           HA       VAL  18  -2.462   2.594   7.503
  107    HB   VAL  18           HB       VAL  18  -0.280   2.332   9.596
  108   HG11  VAL  18          HG11      VAL  18  -2.647   4.198   9.471
  109   HG12  VAL  18          HG12      VAL  18  -0.942   4.637   9.345
  110   HG13  VAL  18          HG13      VAL  18  -1.579   4.002  10.861
  111   HG21  VAL  18          HG21      VAL  18  -2.087   1.624  11.098
  112   HG22  VAL  18          HG22      VAL  18  -1.906   0.517   9.737
  113   HG23  VAL  18          HG23      VAL  18  -3.226   1.684   9.754
  114    H    CYS  19           H        CYS  19  -2.099   4.204   6.208
  115    HA   CYS  19           HA       CYS  19   0.456   4.728   5.084
  116    HB2  CYS  19           HB2      CYS  19  -2.133   6.262   4.831
  117    HB3  CYS  19           HB3      CYS  19  -0.712   6.412   3.797
  118    H    ALA  20           H        ALA  20   1.493   6.778   5.069
  119    HA   ALA  20           HA       ALA  20   1.959   7.957   7.572
  120    HB1  ALA  20           HB1      ALA  20   3.275   9.611   6.314
  121    HB2  ALA  20           HB2      ALA  20   2.555   9.032   4.814
  122    HB3  ALA  20           HB3      ALA  20   3.595   7.968   5.761
  123    H    SER  21           H        SER  21   1.570  10.178   8.238
  124    HA   SER  21           HA       SER  21  -1.105  10.945   8.149
  125    HB2  SER  21           HB2      SER  21   1.268  12.686   8.810
  126    HB3  SER  21           HB3      SER  21  -0.374  12.835   9.435
  127    HG   SER  21           HG       SER  21  -0.091  10.855  10.526
  128    H    GLY  22           H        GLY  22  -2.150  11.837   6.467
  129    HA2  GLY  22           HA2      GLY  22  -2.422  13.782   5.074
  130    HA3  GLY  22           HA3      GLY  22  -0.691  13.739   4.775
  131    H    THR  23           H        THR  23  -1.403  10.606   4.702
  132    HA   THR  23           HA       THR  23  -2.125  10.692   1.857
  133    HB   THR  23           HB       THR  23  -0.793   8.652   1.506
  134    HG1  THR  23           HG1      THR  23  -0.380   8.873   4.303
  135   HG21  THR  23          HG21      THR  23   0.770  10.821   2.908
  136   HG22  THR  23          HG22      THR  23   0.398  10.733   1.179
  137   HG23  THR  23          HG23      THR  23   1.472   9.550   1.910
  138    H    THR  24           H        THR  24  -3.544   9.079   1.107
  139    HA   THR  24           HA       THR  24  -4.864   7.601   3.247
  140    HB   THR  24           HB       THR  24  -6.971   7.929   1.723
  141    HG1  THR  24           HG1      THR  24  -5.194   9.563   0.472
  142   HG21  THR  24          HG21      THR  24  -6.769   8.731   4.033
  143   HG22  THR  24          HG22      THR  24  -7.573   9.932   3.027
  144   HG23  THR  24          HG23      THR  24  -5.879  10.145   3.468
  145    H    CYS  25           H        CYS  25  -5.411   5.526   2.882
  146    HA   CYS  25           HA       CYS  25  -4.041   4.154   0.810
  147    HB2  CYS  25           HB2      CYS  25  -4.298   3.113   2.983
  148    HB3  CYS  25           HB3      CYS  25  -6.054   3.146   2.834
  149    H    GLN  26           H        GLN  26  -4.676   4.138  -1.208
  150    HA   GLN  26           HA       GLN  26  -7.529   4.068  -1.823
  151    HB2  GLN  26           HB2      GLN  26  -5.179   4.694  -3.619
  152    HB3  GLN  26           HB3      GLN  26  -6.881   4.877  -4.012
  153    HG2  GLN  26           HG2      GLN  26  -5.359   6.443  -1.942
  154    HG3  GLN  26           HG3      GLN  26  -5.848   7.021  -3.535
  155   HE21  GLN  26          HE21      GLN  26  -6.466   7.995  -0.880
  156   HE22  GLN  26          HE22      GLN  26  -8.184   8.049  -0.773
  157    H    VAL  27           H        VAL  27  -8.214   2.032  -2.249
  158    HA   VAL  27           HA       VAL  27  -6.333   0.016  -3.075
  159    HB   VAL  27           HB       VAL  27  -9.363  -0.159  -2.814
  160   HG11  VAL  27          HG11      VAL  27  -8.466  -1.824  -4.370
  161   HG12  VAL  27          HG12      VAL  27  -9.024  -2.597  -2.885
  162   HG13  VAL  27          HG13      VAL  27  -7.299  -2.338  -3.157
  163   HG21  VAL  27          HG21      VAL  27  -8.917  -1.359  -0.743
  164   HG22  VAL  27          HG22      VAL  27  -8.220   0.265  -0.678
  165   HG23  VAL  27          HG23      VAL  27  -7.186  -1.133  -0.973
  166    H    LEU  28           H        LEU  28  -5.663   0.024  -5.031
  167    HA   LEU  28           HA       LEU  28  -7.216   1.259  -7.156
  168    HB2  LEU  28           HB2      LEU  28  -4.417   0.126  -7.134
  169    HB3  LEU  28           HB3      LEU  28  -5.150   0.994  -8.468
  170    HG   LEU  28           HG       LEU  28  -4.600   2.210  -5.753
  171   HD11  LEU  28          HD11      LEU  28  -2.780   3.389  -6.884
  172   HD12  LEU  28          HD12      LEU  28  -3.074   2.431  -8.339
  173   HD13  LEU  28          HD13      LEU  28  -2.532   1.645  -6.857
  174   HD21  LEU  28          HD21      LEU  28  -4.991   4.306  -6.903
  175   HD22  LEU  28          HD22      LEU  28  -6.426   3.272  -6.980
  176   HD23  LEU  28          HD23      LEU  28  -5.356   3.423  -8.386
  177    H    ASN  29           H        ASN  29  -5.394  -1.725  -6.647
  178    HA   ASN  29           HA       ASN  29  -7.176  -3.112  -8.535
  179    HB2  ASN  29           HB2      ASN  29  -4.265  -3.745  -7.854
  180    HB3  ASN  29           HB3      ASN  29  -5.285  -4.691  -8.908
  181   HD21  ASN  29          HD21      ASN  29  -5.007  -1.189  -8.928
  182   HD22  ASN  29          HD22      ASN  29  -4.255  -1.034 -10.456
  183    HA   PRO  30           HA       PRO  30  -8.295  -5.810  -5.184
  184    HB2  PRO  30           HB2      PRO  30  -6.969  -8.129  -6.520
  185    HB3  PRO  30           HB3      PRO  30  -8.609  -8.004  -5.873
  186    HG2  PRO  30           HG2      PRO  30  -8.231  -7.880  -8.486
  187    HG3  PRO  30           HG3      PRO  30  -9.373  -6.770  -7.703
  188    HD2  PRO  30           HD2      PRO  30  -6.600  -6.259  -8.683
  189    HD3  PRO  30           HD3      PRO  30  -8.038  -5.218  -8.797
  190    H    TYR  31           H        TYR  31  -4.952  -6.456  -6.291
  191    HA   TYR  31           HA       TYR  31  -4.271  -7.031  -3.482
  192    HB2  TYR  31           HB2      TYR  31  -2.555  -7.558  -5.932
  193    HB3  TYR  31           HB3      TYR  31  -2.285  -8.128  -4.301
  194    HD1  TYR  31           HD1      TYR  31  -3.351 -10.106  -3.486
  195    HD2  TYR  31           HD2      TYR  31  -4.417  -8.539  -7.291
  196    HE1  TYR  31           HE1      TYR  31  -4.562 -12.177  -4.005
  197    HE2  TYR  31           HE2      TYR  31  -5.624 -10.596  -7.814
  198    HH   TYR  31           HH       TYR  31  -5.610 -12.927  -7.132
  199    H    TYR  32           H        TYR  32  -3.750  -4.816  -6.098
  200    HA   TYR  32           HA       TYR  32  -1.619  -3.558  -4.591
  201    HB2  TYR  32           HB2      TYR  32  -1.281  -3.866  -7.021
  202    HB3  TYR  32           HB3      TYR  32  -2.617  -2.754  -7.326
  203    HD1  TYR  32           HD1      TYR  32   0.572  -2.926  -5.429
  204    HD2  TYR  32           HD2      TYR  32  -2.123  -0.493  -7.666
  205    HE1  TYR  32           HE1      TYR  32   2.130  -1.046  -5.240
  206    HE2  TYR  32           HE2      TYR  32  -0.561   1.396  -7.483
  207    HH   TYR  32           HH       TYR  32   2.645   0.990  -6.433
  208    H    SER  33           H        SER  33  -2.087  -2.161  -3.138
  209    HA   SER  33           HA       SER  33  -4.211  -0.211  -3.615
  210    HB2  SER  33           HB2      SER  33  -3.262  -1.360  -0.965
  211    HB3  SER  33           HB3      SER  33  -4.595  -0.231  -1.197
  212    HG   SER  33           HG       SER  33  -5.115  -2.553  -0.953
  213    H    GLN  34           H        GLN  34  -3.522   1.955  -2.977
  214    HA   GLN  34           HA       GLN  34  -0.669   2.139  -2.325
  215    HB2  GLN  34           HB2      GLN  34  -0.752   2.302  -4.709
  216    HB3  GLN  34           HB3      GLN  34  -2.065   3.464  -4.643
  217    HG2  GLN  34           HG2      GLN  34  -0.587   5.112  -3.666
  218    HG3  GLN  34           HG3      GLN  34   0.711   3.924  -3.618
  219   HE21  GLN  34          HE21      GLN  34   1.829   3.477  -5.446
  220   HE22  GLN  34          HE22      GLN  34   1.656   4.346  -6.911
  221    H    CYS  35           H        CYS  35  -0.141   3.735  -0.942
  222    HA   CYS  35           HA       CYS  35  -2.242   5.346   0.204
  223    HB2  CYS  35           HB2      CYS  35   0.748   5.581   0.713
  224    HB3  CYS  35           HB3      CYS  35  -0.546   6.316   1.622
  225    H    LEU  36           H        LEU  36  -2.976   7.038  -0.748
  226    HA   LEU  36           HA       LEU  36  -1.126   8.808  -2.106
  227    HB2  LEU  36           HB2      LEU  36  -3.941   8.042  -2.862
  228    HB3  LEU  36           HB3      LEU  36  -3.127   9.449  -3.514
  229    HG   LEU  36           HG       LEU  36  -2.164   6.606  -3.849
  230   HD11  LEU  36          HD11      LEU  36  -3.561   8.440  -5.786
  231   HD12  LEU  36          HD12      LEU  36  -4.244   6.984  -5.057
  232   HD13  LEU  36          HD13      LEU  36  -2.881   6.860  -6.168
  233   HD21  LEU  36          HD21      LEU  36  -0.663   7.605  -5.512
  234   HD22  LEU  36          HD22      LEU  36  -0.349   8.218  -3.896
  235   HD23  LEU  36          HD23      LEU  36  -1.234   9.210  -5.059
  236    H2   BGC 101           H2       BGC 101   8.419   2.737   0.514
  237    H3   BGC 101           H3       BGC 101   6.022   0.939   0.903
  238    H4   BGC 101           H4       BGC 101   8.845   0.894   2.068
  239    H5   BGC 101           H5       BGC 101   6.086   1.392   3.333
  240   H6C1  BGC 101           H61      BGC 101   8.932   1.434   4.429
  241   H6C2  BGC 101           H62      BGC 101   7.609   0.356   4.922
  242    H1   BGC 101           H1       BGC 101   5.639   3.109   1.690
  243    HB   BGC 101           HO2      BGC 101   6.901   3.784  -0.855
  244    HC   BGC 101           HO3      BGC 101   7.257   0.633  -1.036
  245    HD   BGC 101           HO4      BGC 101   7.916  -1.147   1.676
  246    H6   BGC 101           HO6      BGC 101   6.438   2.277   5.637
  Start of MODEL    8
    1    H1   THR   1           H1       THR   1   5.223   2.428   9.882
    2    H2   THR   1           H2       THR   1   6.195   2.962   8.601
    3    H3   THR   1           H3       THR   1   5.312   1.544   8.434
    4    HA   THR   1           HA       THR   1   3.274   2.789   8.542
    5    HB   THR   1           HB       THR   1   5.090   5.211   8.655
    6    HG1  THR   1           HG1      THR   1   3.826   5.091  10.913
    7   HG21  THR   1          HG21      THR   1   3.005   6.388   9.229
    8   HG22  THR   1          HG22      THR   1   2.110   4.874   9.109
    9   HG23  THR   1          HG23      THR   1   2.849   5.576   7.672
   10    H    GLN   2           H        GLN   2   2.485   2.954   6.478
   11    HA   GLN   2           HA       GLN   2   4.368   2.620   4.367
   12    HB2  GLN   2           HB2      GLN   2   2.173   1.427   4.495
   13    HB3  GLN   2           HB3      GLN   2   1.374   2.961   4.182
   14    HG2  GLN   2           HG2      GLN   2   1.562   1.596   2.173
   15    HG3  GLN   2           HG3      GLN   2   2.456   3.113   2.022
   16   HE21  GLN   2          HE21      GLN   2   2.703  -0.313   2.355
   17   HE22  GLN   2          HE22      GLN   2   4.374  -0.436   1.960
   18    H    SER   3           H        SER   3   5.215   4.104   3.151
   19    HA   SER   3           HA       SER   3   4.547   6.827   3.546
   20    HB2  SER   3           HB2      SER   3   6.498   7.318   2.256
   21    HB3  SER   3           HB3      SER   3   6.894   5.981   3.310
   22    H    HIS   4           H        HIS   4   4.724   8.170   1.310
   23    HA   HIS   4           HA       HIS   4   2.196   7.754   0.076
   24    HB2  HIS   4           HB2      HIS   4   3.552   9.960   0.504
   25    HB3  HIS   4           HB3      HIS   4   4.365   9.553  -1.000
   26    HD1  HIS   4           HD1      HIS   4   3.143  12.064  -1.464
   27    HD2  HIS   4           HD2      HIS   4   0.755   8.678  -1.412
   28    HE1  HIS   4           HE1      HIS   4   0.972  12.766  -2.461
   29    HE2  HIS   4           HE2      HIS   4  -0.502  10.845  -1.827
   30    H    TYR   5           H        TYR   5   1.754   6.658  -1.764
   31    HA   TYR   5           HA       TYR   5   1.911   5.637  -3.705
   32    HB2  TYR   5           HB2      TYR   5   4.862   6.338  -3.781
   33    HB3  TYR   5           HB3      TYR   5   4.003   5.522  -5.077
   34    HD1  TYR   5           HD1      TYR   5   4.807   8.694  -3.561
   35    HD2  TYR   5           HD2      TYR   5   2.166   6.776  -6.283
   36    HE1  TYR   5           HE1      TYR   5   4.219  10.871  -4.509
   37    HE2  TYR   5           HE2      TYR   5   1.567   8.958  -7.248
   38    HH   TYR   5           HH       TYR   5   3.362  11.757  -6.597
   39    H    GLY   6           H        GLY   6   3.118   4.590  -0.905
   40    HA2  GLY   6           HA2      GLY   6   4.239   2.085  -1.821
   41    HA3  GLY   6           HA3      GLY   6   3.923   2.560  -0.160
   42    H    GLN   7           H        GLN   7   3.323  -0.006  -1.066
   43    HA   GLN   7           HA       GLN   7   0.533  -0.139  -1.773
   44    HB2  GLN   7           HB2      GLN   7   2.291  -1.821  -2.529
   45    HB3  GLN   7           HB3      GLN   7   2.301  -2.419  -0.877
   46    HG2  GLN   7           HG2      GLN   7  -0.075  -3.010  -1.083
   47    HG3  GLN   7           HG3      GLN   7  -0.068  -2.433  -2.748
   48   HE21  GLN   7          HE21      GLN   7  -0.712  -5.126  -1.916
   49   HE22  GLN   7          HE22      GLN   7   0.481  -6.126  -2.612
   50    H    CYS   8           H        CYS   8  -0.919   0.293  -0.296
   51    HA   CYS   8           HA       CYS   8  -0.289   0.059   2.519
   52    HB2  CYS   8           HB2      CYS   8  -2.454   1.193   2.844
   53    HB3  CYS   8           HB3      CYS   8  -1.313   2.084   1.845
   54    H    GLY   9           H        GLY   9  -1.068  -2.317   0.710
   55    HA2  GLY   9           HA2      GLY   9  -1.704  -4.376   1.932
   56    HA3  GLY   9           HA3      GLY   9  -2.886  -3.392   2.765
   57    H    GLY  10           H        GLY  10  -2.153  -5.193  -0.038
   58    HA2  GLY  10           HA2      GLY  10  -4.902  -4.857  -0.972
   59    HA3  GLY  10           HA3      GLY  10  -3.585  -5.618  -1.869
   60    H    ILE  11           H        ILE  11  -5.337  -7.283  -2.044
   61    HA   ILE  11           HA       ILE  11  -6.048  -8.932   0.108
   62    HB   ILE  11           HB       ILE  11  -5.661  -9.666  -2.822
   63   HG12  ILE  11          HG12      ILE  11  -8.179  -8.857  -1.349
   64   HG13  ILE  11          HG13      ILE  11  -7.267  -7.824  -2.445
   65   HG21  ILE  11          HG21      ILE  11  -5.715 -11.646  -1.429
   66   HG22  ILE  11          HG22      ILE  11  -7.194 -11.525  -2.385
   67   HG23  ILE  11          HG23      ILE  11  -7.214 -11.103  -0.673
   68   HD11  ILE  11          HD11      ILE  11  -7.766  -9.335  -4.290
   69   HD12  ILE  11          HD12      ILE  11  -9.248  -8.767  -3.514
   70   HD13  ILE  11          HD13      ILE  11  -8.650 -10.393  -3.192
   71    H    GLY  12           H        GLY  12  -4.617  -9.929   1.426
   72    HA2  GLY  12           HA2      GLY  12  -3.101 -11.639   1.874
   73    HA3  GLY  12           HA3      GLY  12  -2.535 -11.552   0.218
   74    H    TYR  13           H        TYR  13  -2.577  -8.413   1.355
   75    HA   TYR  13           HA       TYR  13   0.215  -8.710   2.236
   76    HB2  TYR  13           HB2      TYR  13  -0.064  -7.433   0.092
   77    HB3  TYR  13           HB3      TYR  13  -0.985  -6.220   0.979
   78    HD1  TYR  13           HD1      TYR  13   0.185  -4.480   2.191
   79    HD2  TYR  13           HD2      TYR  13   2.333  -7.826   0.664
   80    HE1  TYR  13           HE1      TYR  13   2.283  -3.356   2.723
   81    HE2  TYR  13           HE2      TYR  13   4.454  -6.704   1.195
   82    HH   TYR  13           HH       TYR  13   5.317  -4.496   1.568
   83    H    SER  14           H        SER  14   0.221  -8.729   4.349
   84    HA   SER  14           HA       SER  14  -1.433  -6.838   5.823
   85    HB2  SER  14           HB2      SER  14  -0.743  -8.524   7.674
   86    HB3  SER  14           HB3      SER  14  -1.975  -8.988   6.497
   87    HG   SER  14           HG       SER  14   0.344 -10.146   7.007
   88    H    GLY  15           H        GLY  15   1.166  -6.220   4.538
   89    HA2  GLY  15           HA2      GLY  15   3.104  -5.968   6.686
   90    HA3  GLY  15           HA3      GLY  15   3.263  -5.357   5.041
   91    HA   PRO  16           HA       PRO  16   2.516  -1.574   7.475
   92    HB2  PRO  16           HB2      PRO  16   3.640   0.117   5.614
   93    HB3  PRO  16           HB3      PRO  16   4.548  -0.660   6.912
   94    HG2  PRO  16           HG2      PRO  16   4.328  -1.413   4.040
   95    HG3  PRO  16           HG3      PRO  16   5.728  -1.499   5.118
   96    HD2  PRO  16           HD2      PRO  16   4.239  -3.653   4.430
   97    HD3  PRO  16           HD3      PRO  16   5.091  -3.532   5.979
   98    H    THR  17           H        THR  17   0.339  -1.604   7.221
   99    HA   THR  17           HA       THR  17  -0.777  -0.907   4.638
  100    HB   THR  17           HB       THR  17  -2.881  -1.794   5.731
  101    HG1  THR  17           HG1      THR  17  -2.253  -3.215   7.587
  102   HG21  THR  17          HG21      THR  17  -2.190  -4.138   5.457
  103   HG22  THR  17          HG22      THR  17  -0.501  -3.657   5.589
  104   HG23  THR  17          HG23      THR  17  -1.450  -3.137   4.205
  105    H    VAL  18           H        VAL  18   0.028   0.507   7.532
  106    HA   VAL  18           HA       VAL  18  -2.230   2.331   7.544
  107    HB   VAL  18           HB       VAL  18   0.149   2.203   9.423
  108   HG11  VAL  18          HG11      VAL  18  -2.470   3.687   9.635
  109   HG12  VAL  18          HG12      VAL  18  -0.867   4.395   9.400
  110   HG13  VAL  18          HG13      VAL  18  -1.256   3.562  10.907
  111   HG21  VAL  18          HG21      VAL  18  -1.389   1.149  11.031
  112   HG22  VAL  18          HG22      VAL  18  -1.166   0.160   9.587
  113   HG23  VAL  18          HG23      VAL  18  -2.640   1.103   9.788
  114    H    CYS  19           H        CYS  19  -2.079   4.137   6.400
  115    HA   CYS  19           HA       CYS  19   0.395   4.789   5.109
  116    HB2  CYS  19           HB2      CYS  19  -2.284   6.191   4.981
  117    HB3  CYS  19           HB3      CYS  19  -0.913   6.446   3.901
  118    H    ALA  20           H        ALA  20   1.470   6.728   5.229
  119    HA   ALA  20           HA       ALA  20   1.801   7.893   7.744
  120    HB1  ALA  20           HB1      ALA  20   2.568   8.999   5.043
  121    HB2  ALA  20           HB2      ALA  20   3.536   7.892   6.018
  122    HB3  ALA  20           HB3      ALA  20   3.212   9.527   6.596
  123    H    SER  21           H        SER  21   1.316   9.982   8.456
  124    HA   SER  21           HA       SER  21  -1.333  10.764   8.150
  125    HB2  SER  21           HB2      SER  21   1.005  12.346   9.224
  126    HB3  SER  21           HB3      SER  21  -0.702  12.708   9.505
  127    HG   SER  21           HG       SER  21   0.321  10.167  10.134
  128    H    GLY  22           H        GLY  22  -2.229  11.646   6.430
  129    HA2  GLY  22           HA2      GLY  22  -2.381  13.762   5.185
  130    HA3  GLY  22           HA3      GLY  22  -0.654  13.602   4.889
  131    H    THR  23           H        THR  23  -1.459  10.569   4.685
  132    HA   THR  23           HA       THR  23  -2.337  10.774   1.893
  133    HB   THR  23           HB       THR  23  -0.980   8.758   1.391
  134    HG1  THR  23           HG1      THR  23  -0.376   8.962   4.161
  135   HG21  THR  23          HG21      THR  23   0.022  10.955   1.017
  136   HG22  THR  23          HG22      THR  23   1.247   9.796   1.531
  137   HG23  THR  23          HG23      THR  23   0.612  10.980   2.676
  138    H    THR  24           H        THR  24  -3.594   8.923   1.132
  139    HA   THR  24           HA       THR  24  -4.834   7.476   3.341
  140    HB   THR  24           HB       THR  24  -6.964   7.671   1.819
  141    HG1  THR  24           HG1      THR  24  -5.317   9.138   0.401
  142   HG21  THR  24          HG21      THR  24  -5.936   9.966   3.498
  143   HG22  THR  24          HG22      THR  24  -6.795   8.547   4.101
  144   HG23  THR  24          HG23      THR  24  -7.621   9.703   3.055
  145    H    CYS  25           H        CYS  25  -5.415   5.363   2.958
  146    HA   CYS  25           HA       CYS  25  -4.010   4.015   0.883
  147    HB2  CYS  25           HB2      CYS  25  -4.346   2.993   3.105
  148    HB3  CYS  25           HB3      CYS  25  -6.081   2.958   2.827
  149    H    GLN  26           H        GLN  26  -4.657   3.934  -1.143
  150    HA   GLN  26           HA       GLN  26  -7.517   3.991  -1.743
  151    HB2  GLN  26           HB2      GLN  26  -5.171   4.700  -3.497
  152    HB3  GLN  26           HB3      GLN  26  -6.867   5.007  -3.818
  153    HG2  GLN  26           HG2      GLN  26  -5.288   6.263  -1.579
  154    HG3  GLN  26           HG3      GLN  26  -5.598   6.993  -3.149
  155   HE21  GLN  26          HE21      GLN  26  -6.451   8.679  -1.960
  156   HE22  GLN  26          HE22      GLN  26  -8.093   8.655  -1.393
  157    H    VAL  27           H        VAL  27  -8.258   2.186  -2.765
  158    HA   VAL  27           HA       VAL  27  -6.306   0.098  -3.301
  159    HB   VAL  27           HB       VAL  27  -9.328  -0.112  -3.396
  160   HG11  VAL  27          HG11      VAL  27  -7.168  -2.199  -3.210
  161   HG12  VAL  27          HG12      VAL  27  -8.221  -1.889  -4.594
  162   HG13  VAL  27          HG13      VAL  27  -8.896  -2.512  -3.086
  163   HG21  VAL  27          HG21      VAL  27  -9.188  -1.105  -1.157
  164   HG22  VAL  27          HG22      VAL  27  -8.644   0.572  -1.168
  165   HG23  VAL  27          HG23      VAL  27  -7.462  -0.738  -1.112
  166    H    LEU  28           H        LEU  28  -5.432   0.273  -5.238
  167    HA   LEU  28           HA       LEU  28  -6.883   1.493  -7.445
  168    HB2  LEU  28           HB2      LEU  28  -4.114   0.317  -7.464
  169    HB3  LEU  28           HB3      LEU  28  -4.806   1.393  -8.652
  170    HG   LEU  28           HG       LEU  28  -3.989   2.079  -5.835
  171   HD11  LEU  28          HD11      LEU  28  -2.989   3.033  -8.501
  172   HD12  LEU  28          HD12      LEU  28  -2.215   1.837  -7.481
  173   HD13  LEU  28          HD13      LEU  28  -2.364   3.507  -6.916
  174   HD21  LEU  28          HD21      LEU  28  -4.612   4.372  -6.392
  175   HD22  LEU  28          HD22      LEU  28  -6.009   3.288  -6.373
  176   HD23  LEU  28          HD23      LEU  28  -5.308   3.803  -7.914
  177    H    ASN  29           H        ASN  29  -5.621  -1.603  -6.495
  178    HA   ASN  29           HA       ASN  29  -7.102  -2.888  -8.645
  179    HB2  ASN  29           HB2      ASN  29  -4.241  -3.603  -7.841
  180    HB3  ASN  29           HB3      ASN  29  -5.238  -4.446  -9.008
  181   HD21  ASN  29          HD21      ASN  29  -3.339  -1.609  -8.420
  182   HD22  ASN  29          HD22      ASN  29  -3.185  -1.092 -10.041
  183    HA   PRO  30           HA       PRO  30  -8.419  -5.541  -5.321
  184    HB2  PRO  30           HB2      PRO  30  -7.212  -7.909  -6.671
  185    HB3  PRO  30           HB3      PRO  30  -8.858  -7.675  -6.072
  186    HG2  PRO  30           HG2      PRO  30  -8.374  -7.558  -8.673
  187    HG3  PRO  30           HG3      PRO  30  -9.495  -6.411  -7.917
  188    HD2  PRO  30           HD2      PRO  30  -6.669  -5.992  -8.799
  189    HD3  PRO  30           HD3      PRO  30  -8.054  -4.891  -8.928
  190    H    TYR  31           H        TYR  31  -5.166  -6.510  -6.458
  191    HA   TYR  31           HA       TYR  31  -4.485  -7.077  -3.665
  192    HB2  TYR  31           HB2      TYR  31  -2.948  -7.705  -6.208
  193    HB3  TYR  31           HB3      TYR  31  -2.388  -8.066  -4.592
  194    HD1  TYR  31           HD1      TYR  31  -5.327  -8.754  -6.825
  195    HD2  TYR  31           HD2      TYR  31  -2.788 -10.159  -3.730
  196    HE1  TYR  31           HE1      TYR  31  -6.443 -10.946  -6.915
  197    HE2  TYR  31           HE2      TYR  31  -3.886 -12.353  -3.804
  198    HH   TYR  31           HH       TYR  31  -5.919 -13.261  -6.341
  199    H    TYR  32           H        TYR  32  -3.852  -4.761  -6.176
  200    HA   TYR  32           HA       TYR  32  -1.701  -3.695  -4.538
  201    HB2  TYR  32           HB2      TYR  32  -1.268  -3.911  -6.963
  202    HB3  TYR  32           HB3      TYR  32  -2.542  -2.741  -7.273
  203    HD1  TYR  32           HD1      TYR  32  -2.060  -0.427  -7.271
  204    HD2  TYR  32           HD2      TYR  32   0.706  -3.161  -5.536
  205    HE1  TYR  32           HE1      TYR  32  -0.414   1.382  -7.030
  206    HE2  TYR  32           HE2      TYR  32   2.346  -1.352  -5.299
  207    HH   TYR  32           HH       TYR  32   1.463   1.938  -5.868
  208    H    SER  33           H        SER  33  -2.197  -2.373  -3.010
  209    HA   SER  33           HA       SER  33  -4.228  -0.309  -3.477
  210    HB2  SER  33           HB2      SER  33  -3.235  -1.445  -0.838
  211    HB3  SER  33           HB3      SER  33  -4.561  -0.303  -1.052
  212    HG   SER  33           HG       SER  33  -4.844  -2.756  -0.804
  213    H    GLN  34           H        GLN  34  -3.504   1.845  -2.826
  214    HA   GLN  34           HA       GLN  34  -0.668   2.056  -2.170
  215    HB2  GLN  34           HB2      GLN  34  -0.586   2.104  -4.530
  216    HB3  GLN  34           HB3      GLN  34  -2.000   3.132  -4.636
  217    HG2  GLN  34           HG2      GLN  34  -0.760   5.016  -3.835
  218    HG3  GLN  34           HG3      GLN  34   0.638   3.990  -3.497
  219   HE21  GLN  34          HE21      GLN  34   2.018   3.461  -5.133
  220   HE22  GLN  34          HE22      GLN  34   1.820   4.057  -6.744
  221    H    CYS  35           H        CYS  35  -0.208   3.731  -0.842
  222    HA   CYS  35           HA       CYS  35  -2.398   5.345   0.099
  223    HB2  CYS  35           HB2      CYS  35   0.527   5.750   0.776
  224    HB3  CYS  35           HB3      CYS  35  -0.897   6.366   1.597
  225    H    LEU  36           H        LEU  36  -3.066   7.046  -0.877
  226    HA   LEU  36           HA       LEU  36  -1.181   8.753  -2.300
  227    HB2  LEU  36           HB2      LEU  36  -4.061   8.164  -2.996
  228    HB3  LEU  36           HB3      LEU  36  -3.097   9.409  -3.751
  229    HG   LEU  36           HG       LEU  36  -2.492   6.449  -3.906
  230   HD11  LEU  36          HD11      LEU  36  -3.661   8.309  -5.964
  231   HD12  LEU  36          HD12      LEU  36  -4.525   7.020  -5.128
  232   HD13  LEU  36          HD13      LEU  36  -3.205   6.626  -6.229
  233   HD21  LEU  36          HD21      LEU  36  -0.884   7.121  -5.622
  234   HD22  LEU  36          HD22      LEU  36  -0.492   7.835  -4.062
  235   HD23  LEU  36          HD23      LEU  36  -1.251   8.818  -5.315
  236    H2   BGC 101           H2       BGC 101   8.311   3.833   0.015
  237    H3   BGC 101           H3       BGC 101   6.147   1.720   0.327
  238    H4   BGC 101           H4       BGC 101   9.048   1.907   1.211
  239    H5   BGC 101           H5       BGC 101   6.412   1.821   2.795
  240   H6C1  BGC 101           H61      BGC 101   9.332   2.111   3.580
  241   H6C2  BGC 101           H62      BGC 101   8.289   0.732   3.993
  242    H1   BGC 101           H1       BGC 101   5.633   3.802   1.465
  243    HB   BGC 101           HO2      BGC 101   6.935   3.551  -1.794
  244    HC   BGC 101           HO3      BGC 101   7.677   0.503  -0.926
  245    HD   BGC 101           HO4      BGC 101   7.094  -0.177   1.472
  246    H6   BGC 101           HO6      BGC 101   7.606   3.425   4.713
  Start of MODEL    9
    1    H1   THR   1           H1       THR   1   5.344   2.492   8.925
    2    H2   THR   1           H2       THR   1   4.364   1.251   8.406
    3    H3   THR   1           H3       THR   1   4.128   1.952   9.950
    4    HA   THR   1           HA       THR   1   2.482   2.747   8.412
    5    HB   THR   1           HB       THR   1   4.551   4.814   9.223
    6    HG1  THR   1           HG1      THR   1   3.154   4.781  11.180
    7   HG21  THR   1          HG21      THR   1   1.537   4.976   8.983
    8   HG22  THR   1          HG22      THR   1   2.689   5.694   7.858
    9   HG23  THR   1          HG23      THR   1   2.602   6.276   9.522
   10    H    GLN   2           H        GLN   2   2.119   2.761   6.328
   11    HA   GLN   2           HA       GLN   2   4.242   2.561   4.485
   12    HB2  GLN   2           HB2      GLN   2   2.124   1.292   4.320
   13    HB3  GLN   2           HB3      GLN   2   1.281   2.789   3.963
   14    HG2  GLN   2           HG2      GLN   2   1.734   1.487   1.953
   15    HG3  GLN   2           HG3      GLN   2   2.550   3.050   1.923
   16   HE21  GLN   2          HE21      GLN   2   2.975  -0.372   2.141
   17   HE22  GLN   2          HE22      GLN   2   4.675  -0.380   1.896
   18    H    SER   3           H        SER   3   5.176   4.067   3.321
   19    HA   SER   3           HA       SER   3   4.491   6.789   3.596
   20    HB2  SER   3           HB2      SER   3   6.475   7.227   2.290
   21    HB3  SER   3           HB3      SER   3   6.826   5.973   3.465
   22    H    HIS   4           H        HIS   4   4.550   8.210   1.585
   23    HA   HIS   4           HA       HIS   4   2.241   7.802   0.067
   24    HB2  HIS   4           HB2      HIS   4   3.481   9.979   0.629
   25    HB3  HIS   4           HB3      HIS   4   4.549   9.587  -0.710
   26    HD1  HIS   4           HD1      HIS   4   3.738  11.807  -1.832
   27    HD2  HIS   4           HD2      HIS   4   0.777   8.957  -1.276
   28    HE1  HIS   4           HE1      HIS   4   1.718  12.667  -3.073
   29    HE2  HIS   4           HE2      HIS   4   0.065  10.831  -2.957
   30    H    TYR   5           H        TYR   5   1.867   6.798  -1.800
   31    HA   TYR   5           HA       TYR   5   2.069   5.724  -3.717
   32    HB2  TYR   5           HB2      TYR   5   4.963   6.589  -3.707
   33    HB3  TYR   5           HB3      TYR   5   4.278   5.586  -4.977
   34    HD1  TYR   5           HD1      TYR   5   2.680   6.528  -6.562
   35    HD2  TYR   5           HD2      TYR   5   4.430   8.937  -3.535
   36    HE1  TYR   5           HE1      TYR   5   1.975   8.546  -7.769
   37    HE2  TYR   5           HE2      TYR   5   3.717  10.959  -4.727
   38    HH   TYR   5           HH       TYR   5   1.519  10.829  -7.338
   39    H    GLY   6           H        GLY   6   3.257   4.743  -0.902
   40    HA2  GLY   6           HA2      GLY   6   4.435   2.287  -1.798
   41    HA3  GLY   6           HA3      GLY   6   4.079   2.744  -0.136
   42    H    GLN   7           H        GLN   7   3.538   0.191  -1.231
   43    HA   GLN   7           HA       GLN   7   0.705   0.122  -1.761
   44    HB2  GLN   7           HB2      GLN   7   2.228  -1.490  -2.881
   45    HB3  GLN   7           HB3      GLN   7   2.622  -2.176  -1.310
   46    HG2  GLN   7           HG2      GLN   7   0.230  -2.777  -1.003
   47    HG3  GLN   7           HG3      GLN   7  -0.089  -2.132  -2.597
   48   HE21  GLN   7          HE21      GLN   7  -0.450  -4.838  -1.622
   49   HE22  GLN   7          HE22      GLN   7   0.449  -5.843  -2.682
   50    H    CYS   8           H        CYS   8  -0.552   0.526  -0.113
   51    HA   CYS   8           HA       CYS   8   0.186   0.085   2.583
   52    HB2  CYS   8           HB2      CYS   8  -2.317   0.615   2.951
   53    HB3  CYS   8           HB3      CYS   8  -1.257   1.869   2.314
   54    H    GLY   9           H        GLY   9  -1.967  -1.692   0.406
   55    HA2  GLY   9           HA2      GLY   9  -1.474  -4.126   1.391
   56    HA3  GLY   9           HA3      GLY   9  -2.570  -3.466   2.589
   57    H    GLY  10           H        GLY  10  -2.239  -4.946  -0.402
   58    HA2  GLY  10           HA2      GLY  10  -5.104  -4.747  -0.903
   59    HA3  GLY  10           HA3      GLY  10  -3.896  -5.401  -2.011
   60    H    ILE  11           H        ILE  11  -5.590  -7.179  -1.942
   61    HA   ILE  11           HA       ILE  11  -5.775  -8.912   0.255
   62    HB   ILE  11           HB       ILE  11  -5.908  -9.614  -2.700
   63   HG12  ILE  11          HG12      ILE  11  -8.157  -8.958  -0.780
   64   HG13  ILE  11          HG13      ILE  11  -7.504  -7.841  -1.967
   65   HG21  ILE  11          HG21      ILE  11  -5.601 -11.602  -1.310
   66   HG22  ILE  11          HG22      ILE  11  -7.237 -11.556  -1.970
   67   HG23  ILE  11          HG23      ILE  11  -6.954 -11.114  -0.288
   68   HD11  ILE  11          HD11      ILE  11  -8.843 -10.460  -2.571
   69   HD12  ILE  11          HD12      ILE  11  -8.223  -9.317  -3.762
   70   HD13  ILE  11          HD13      ILE  11  -9.579  -8.862  -2.726
   71    H    GLY  12           H        GLY  12  -4.124  -9.881   1.231
   72    HA2  GLY  12           HA2      GLY  12  -2.515 -11.654   1.216
   73    HA3  GLY  12           HA3      GLY  12  -2.094 -11.209  -0.431
   74    H    TYR  13           H        TYR  13  -2.414  -8.403   1.300
   75    HA   TYR  13           HA       TYR  13   0.451  -8.417   1.969
   76    HB2  TYR  13           HB2      TYR  13  -0.231  -6.930   0.044
   77    HB3  TYR  13           HB3      TYR  13  -1.243  -6.040   1.169
   78    HD1  TYR  13           HD1      TYR  13  -0.092  -4.761   3.059
   79    HD2  TYR  13           HD2      TYR  13   2.076  -6.485  -0.169
   80    HE1  TYR  13           HE1      TYR  13   1.812  -3.313   3.578
   81    HE2  TYR  13           HE2      TYR  13   3.995  -5.040   0.346
   82    HH   TYR  13           HH       TYR  13   4.328  -2.824   1.449
   83    H    SER  14           H        SER  14   0.868  -8.145   4.089
   84    HA   SER  14           HA       SER  14  -1.230  -6.995   5.788
   85    HB2  SER  14           HB2      SER  14  -0.543  -8.781   7.436
   86    HB3  SER  14           HB3      SER  14  -1.416  -9.349   6.008
   87    HG   SER  14           HG       SER  14   0.759 -10.327   6.823
   88    H    GLY  15           H        GLY  15   1.367  -5.958   4.682
   89    HA2  GLY  15           HA2      GLY  15   3.091  -5.776   7.021
   90    HA3  GLY  15           HA3      GLY  15   3.426  -5.118   5.427
   91    HA   PRO  16           HA       PRO  16   2.353  -1.369   7.673
   92    HB2  PRO  16           HB2      PRO  16   3.328   0.352   5.792
   93    HB3  PRO  16           HB3      PRO  16   4.327  -0.410   7.032
   94    HG2  PRO  16           HG2      PRO  16   3.983  -1.155   4.165
   95    HG3  PRO  16           HG3      PRO  16   5.449  -1.154   5.155
   96    HD2  PRO  16           HD2      PRO  16   4.042  -3.414   4.583
   97    HD3  PRO  16           HD3      PRO  16   4.982  -3.205   6.073
   98    H    THR  17           H        THR  17   0.190  -1.597   7.458
   99    HA   THR  17           HA       THR  17  -1.130  -1.199   4.926
  100    HB   THR  17           HB       THR  17  -3.175  -1.692   6.362
  101    HG1  THR  17           HG1      THR  17  -1.726  -2.919   8.304
  102   HG21  THR  17          HG21      THR  17  -0.947  -3.745   6.279
  103   HG22  THR  17          HG22      THR  17  -2.086  -3.420   4.976
  104   HG23  THR  17          HG23      THR  17  -2.658  -4.107   6.497
  105    H    VAL  18           H        VAL  18  -0.715   0.332   7.999
  106    HA   VAL  18           HA       VAL  18  -2.593   2.424   7.436
  107    HB   VAL  18           HB       VAL  18  -0.508   2.287   9.638
  108   HG11  VAL  18          HG11      VAL  18  -1.282   4.554   9.229
  109   HG12  VAL  18          HG12      VAL  18  -1.915   3.954  10.762
  110   HG13  VAL  18          HG13      VAL  18  -2.959   4.023   9.345
  111   HG21  VAL  18          HG21      VAL  18  -3.432   1.539   9.704
  112   HG22  VAL  18          HG22      VAL  18  -2.345   1.559  11.091
  113   HG23  VAL  18          HG23      VAL  18  -2.078   0.415   9.774
  114    H    CYS  19           H        CYS  19  -2.181   4.002   6.169
  115    HA   CYS  19           HA       CYS  19   0.399   4.571   5.083
  116    HB2  CYS  19           HB2      CYS  19  -2.204   6.074   4.846
  117    HB3  CYS  19           HB3      CYS  19  -0.784   6.264   3.820
  118    H    ALA  20           H        ALA  20   1.466   6.587   5.202
  119    HA   ALA  20           HA       ALA  20   1.638   7.694   7.796
  120    HB1  ALA  20           HB1      ALA  20   2.752   8.729   5.185
  121    HB2  ALA  20           HB2      ALA  20   3.559   7.615   6.288
  122    HB3  ALA  20           HB3      ALA  20   3.230   9.271   6.793
  123    H    SER  21           H        SER  21   1.253   9.882   8.409
  124    HA   SER  21           HA       SER  21  -1.320  10.768   7.942
  125    HB2  SER  21           HB2      SER  21   1.030  12.390   8.912
  126    HB3  SER  21           HB3      SER  21  -0.674  12.693   9.249
  127    HG   SER  21           HG       SER  21   1.073  11.016  10.470
  128    H    GLY  22           H        GLY  22  -2.132  11.585   6.135
  129    HA2  GLY  22           HA2      GLY  22  -2.120  13.611   4.737
  130    HA3  GLY  22           HA3      GLY  22  -0.414  13.278   4.461
  131    H    THR  23           H        THR  23  -1.260  10.322   4.492
  132    HA   THR  23           HA       THR  23  -2.110  10.328   1.689
  133    HB   THR  23           HB       THR  23  -0.875   8.233   1.399
  134    HG1  THR  23           HG1      THR  23  -0.250   8.672   4.143
  135   HG21  THR  23          HG21      THR  23   0.742  10.507   2.503
  136   HG22  THR  23          HG22      THR  23   0.255  10.261   0.819
  137   HG23  THR  23          HG23      THR  23   1.408   9.167   1.577
  138    H    THR  24           H        THR  24  -3.611   8.777   1.036
  139    HA   THR  24           HA       THR  24  -4.918   7.279   3.182
  140    HB   THR  24           HB       THR  24  -6.983   7.448   1.690
  141    HG1  THR  24           HG1      THR  24  -5.239   9.088   0.231
  142   HG21  THR  24          HG21      THR  24  -7.607   9.691   2.530
  143   HG22  THR  24          HG22      THR  24  -5.921   9.976   2.970
  144   HG23  THR  24          HG23      THR  24  -6.841   8.699   3.767
  145    H    CYS  25           H        CYS  25  -5.356   5.152   2.789
  146    HA   CYS  25           HA       CYS  25  -3.822   3.901   0.763
  147    HB2  CYS  25           HB2      CYS  25  -4.168   2.832   2.952
  148    HB3  CYS  25           HB3      CYS  25  -5.898   2.736   2.647
  149    H    GLN  26           H        GLN  26  -4.449   4.214  -1.268
  150    HA   GLN  26           HA       GLN  26  -7.244   4.170  -1.999
  151    HB2  GLN  26           HB2      GLN  26  -4.736   4.678  -3.601
  152    HB3  GLN  26           HB3      GLN  26  -6.374   4.799  -4.230
  153    HG2  GLN  26           HG2      GLN  26  -5.289   6.442  -1.962
  154    HG3  GLN  26           HG3      GLN  26  -5.378   6.968  -3.643
  155   HE21  GLN  26          HE21      GLN  26  -6.660   7.956  -1.178
  156   HE22  GLN  26          HE22      GLN  26  -8.334   7.982  -1.558
  157    H    VAL  27           H        VAL  27  -8.118   2.296  -2.445
  158    HA   VAL  27           HA       VAL  27  -6.479   0.039  -3.165
  159    HB   VAL  27           HB       VAL  27  -9.514   0.216  -3.105
  160   HG11  VAL  27          HG11      VAL  27  -9.422  -2.236  -2.914
  161   HG12  VAL  27          HG12      VAL  27  -7.665  -2.164  -3.039
  162   HG13  VAL  27          HG13      VAL  27  -8.660  -1.665  -4.400
  163   HG21  VAL  27          HG21      VAL  27  -8.615   0.750  -0.899
  164   HG22  VAL  27          HG22      VAL  27  -7.629  -0.713  -0.929
  165   HG23  VAL  27          HG23      VAL  27  -9.388  -0.835  -0.882
  166    H    LEU  28           H        LEU  28  -5.667   0.221  -5.095
  167    HA   LEU  28           HA       LEU  28  -7.114   1.476  -7.265
  168    HB2  LEU  28           HB2      LEU  28  -4.391   0.173  -7.204
  169    HB3  LEU  28           HB3      LEU  28  -5.045   1.085  -8.548
  170    HG   LEU  28           HG       LEU  28  -4.420   2.236  -5.817
  171   HD11  LEU  28          HD11      LEU  28  -2.599   3.383  -6.967
  172   HD12  LEU  28          HD12      LEU  28  -2.972   2.490  -8.442
  173   HD13  LEU  28          HD13      LEU  28  -2.412   1.632  -6.999
  174   HD21  LEU  28          HD21      LEU  28  -5.224   3.541  -8.386
  175   HD22  LEU  28          HD22      LEU  28  -4.762   4.379  -6.900
  176   HD23  LEU  28          HD23      LEU  28  -6.240   3.402  -6.947
  177    H    ASN  29           H        ASN  29  -5.886  -1.638  -6.331
  178    HA   ASN  29           HA       ASN  29  -7.634  -2.982  -8.224
  179    HB2  ASN  29           HB2      ASN  29  -4.673  -3.600  -7.773
  180    HB3  ASN  29           HB3      ASN  29  -5.806  -4.585  -8.683
  181   HD21  ASN  29          HD21      ASN  29  -3.951  -1.667  -8.679
  182   HD22  ASN  29          HD22      ASN  29  -4.120  -1.304 -10.354
  183    HA   PRO  30           HA       PRO  30  -8.569  -5.397  -4.634
  184    HB2  PRO  30           HB2      PRO  30  -7.731  -7.919  -5.958
  185    HB3  PRO  30           HB3      PRO  30  -9.287  -7.490  -5.249
  186    HG2  PRO  30           HG2      PRO  30  -8.953  -7.589  -7.896
  187    HG3  PRO  30           HG3      PRO  30  -9.996  -6.370  -7.139
  188    HD2  PRO  30           HD2      PRO  30  -7.248  -6.084  -8.267
  189    HD3  PRO  30           HD3      PRO  30  -8.606  -4.950  -8.318
  190    H    TYR  31           H        TYR  31  -5.487  -6.313  -6.159
  191    HA   TYR  31           HA       TYR  31  -4.522  -7.055  -3.484
  192    HB2  TYR  31           HB2      TYR  31  -3.270  -7.585  -6.192
  193    HB3  TYR  31           HB3      TYR  31  -2.661  -8.168  -4.654
  194    HD1  TYR  31           HD1      TYR  31  -5.756  -8.350  -6.776
  195    HD2  TYR  31           HD2      TYR  31  -3.219 -10.344  -4.014
  196    HE1  TYR  31           HE1      TYR  31  -7.059 -10.392  -7.074
  197    HE2  TYR  31           HE2      TYR  31  -4.530 -12.404  -4.312
  198    HH   TYR  31           HH       TYR  31  -6.629 -13.114  -5.038
  199    H    TYR  32           H        TYR  32  -4.103  -4.765  -6.091
  200    HA   TYR  32           HA       TYR  32  -1.833  -3.651  -4.665
  201    HB2  TYR  32           HB2      TYR  32  -1.574  -3.931  -7.107
  202    HB3  TYR  32           HB3      TYR  32  -2.864  -2.759  -7.352
  203    HD1  TYR  32           HD1      TYR  32  -2.192  -0.567  -7.831
  204    HD2  TYR  32           HD2      TYR  32   0.306  -3.025  -5.401
  205    HE1  TYR  32           HE1      TYR  32  -0.540   1.231  -7.698
  206    HE2  TYR  32           HE2      TYR  32   1.957  -1.218  -5.267
  207    HH   TYR  32           HH       TYR  32   1.278   1.950  -6.353
  208    H    SER  33           H        SER  33  -2.181  -2.270  -3.160
  209    HA   SER  33           HA       SER  33  -4.169  -0.154  -3.578
  210    HB2  SER  33           HB2      SER  33  -3.330  -1.409  -0.936
  211    HB3  SER  33           HB3      SER  33  -4.554  -0.154  -1.157
  212    HG   SER  33           HG       SER  33  -5.299  -2.387  -0.931
  213    H    GLN  34           H        GLN  34  -3.389   1.946  -3.015
  214    HA   GLN  34           HA       GLN  34  -0.565   2.091  -2.242
  215    HB2  GLN  34           HB2      GLN  34  -0.445   2.162  -4.616
  216    HB3  GLN  34           HB3      GLN  34  -1.798   3.275  -4.719
  217    HG2  GLN  34           HG2      GLN  34  -0.466   5.046  -3.807
  218    HG3  GLN  34           HG3      GLN  34   0.872   3.932  -3.520
  219   HE21  GLN  34          HE21      GLN  34   2.184   3.368  -5.186
  220   HE22  GLN  34          HE22      GLN  34   2.087   4.105  -6.746
  221    H    CYS  35           H        CYS  35  -0.074   3.729  -0.903
  222    HA   CYS  35           HA       CYS  35  -2.214   5.334   0.131
  223    HB2  CYS  35           HB2      CYS  35   0.742   5.518   0.755
  224    HB3  CYS  35           HB3      CYS  35  -0.586   6.237   1.658
  225    H    LEU  36           H        LEU  36  -2.933   7.034  -0.875
  226    HA   LEU  36           HA       LEU  36  -1.054   8.900  -2.112
  227    HB2  LEU  36           HB2      LEU  36  -3.875   8.248  -2.977
  228    HB3  LEU  36           HB3      LEU  36  -2.876   9.504  -3.675
  229    HG   LEU  36           HG       LEU  36  -2.321   6.534  -3.821
  230   HD11  LEU  36          HD11      LEU  36  -4.202   7.196  -5.221
  231   HD12  LEU  36          HD12      LEU  36  -2.795   6.787  -6.195
  232   HD13  LEU  36          HD13      LEU  36  -3.223   8.478  -5.935
  233   HD21  LEU  36          HD21      LEU  36  -0.252   7.857  -3.771
  234   HD22  LEU  36          HD22      LEU  36  -0.863   8.849  -5.099
  235   HD23  LEU  36          HD23      LEU  36  -0.528   7.142  -5.357
  236    H2   BGC 101           H2       BGC 101   8.479   3.547   0.510
  237    H3   BGC 101           H3       BGC 101   6.199   1.568   0.749
  238    H4   BGC 101           H4       BGC 101   9.049   1.605   1.810
  239    H5   BGC 101           H5       BGC 101   6.340   1.860   3.295
  240   H6C1  BGC 101           H61      BGC 101   9.261   1.980   4.107
  241   H6C2  BGC 101           H62      BGC 101   8.035   0.854   4.718
  242    H1   BGC 101           H1       BGC 101   5.701   3.636   1.715
  243    HB   BGC 101           HO2      BGC 101   7.315   3.196  -1.425
  244    HC   BGC 101           HO3      BGC 101   8.768   1.348  -0.512
  245    HD   BGC 101           HO4      BGC 101   8.133  -0.464   1.280
  246    H6   BGC 101           HO6      BGC 101   7.772   3.690   4.989
  Start of MODEL   10
    1    H1   THR   1           H1       THR   1   4.667   1.898   9.038
    2    H2   THR   1           H2       THR   1   4.655   3.058  10.318
    3    H3   THR   1           H3       THR   1   5.666   3.251   8.990
    4    HA   THR   1           HA       THR   1   2.775   3.302   8.818
    5    HB   THR   1           HB       THR   1   4.722   5.610   8.776
    6    HG1  THR   1           HG1      THR   1   3.411   5.635  11.053
    7   HG21  THR   1          HG21      THR   1   2.473   5.938   7.821
    8   HG22  THR   1          HG22      THR   1   2.702   6.892   9.288
    9   HG23  THR   1          HG23      THR   1   1.753   5.402   9.339
   10    H    GLN   2           H        GLN   2   2.164   3.201   6.711
   11    HA   GLN   2           HA       GLN   2   4.191   2.599   4.796
   12    HB2  GLN   2           HB2      GLN   2   1.997   1.384   4.987
   13    HB3  GLN   2           HB3      GLN   2   1.214   2.824   4.389
   14    HG2  GLN   2           HG2      GLN   2   1.512   1.067   2.671
   15    HG3  GLN   2           HG3      GLN   2   2.243   2.608   2.253
   16   HE21  GLN   2          HE21      GLN   2   2.721  -0.305   1.558
   17   HE22  GLN   2          HE22      GLN   2   4.419  -0.508   1.666
   18    H    SER   3           H        SER   3   5.179   3.933   3.641
   19    HA   SER   3           HA       SER   3   4.637   6.660   3.569
   20    HB2  SER   3           HB2      SER   3   6.588   6.841   2.158
   21    HB3  SER   3           HB3      SER   3   6.909   5.729   3.473
   22    H    HIS   4           H        HIS   4   4.692   7.899   1.480
   23    HA   HIS   4           HA       HIS   4   2.279   7.533   0.104
   24    HB2  HIS   4           HB2      HIS   4   3.636   9.677   0.560
   25    HB3  HIS   4           HB3      HIS   4   4.610   9.219  -0.824
   26    HD1  HIS   4           HD1      HIS   4   3.863  11.347  -2.064
   27    HD2  HIS   4           HD2      HIS   4   0.753   8.830  -1.034
   28    HE1  HIS   4           HE1      HIS   4   1.823  12.283  -3.213
   29    HE2  HIS   4           HE2      HIS   4  -0.053  10.938  -2.223
   30    H    TYR   5           H        TYR   5   1.810   6.501  -1.756
   31    HA   TYR   5           HA       TYR   5   1.897   5.277  -3.533
   32    HB2  TYR   5           HB2      TYR   5   4.795   6.091  -3.789
   33    HB3  TYR   5           HB3      TYR   5   4.012   5.010  -4.917
   34    HD1  TYR   5           HD1      TYR   5   2.454   5.776  -6.523
   35    HD2  TYR   5           HD2      TYR   5   4.035   8.483  -3.671
   36    HE1  TYR   5           HE1      TYR   5   1.529   7.640  -7.802
   37    HE2  TYR   5           HE2      TYR   5   3.110  10.374  -4.957
   38    HH   TYR   5           HH       TYR   5   2.415  10.842  -7.240
   39    H    GLY   6           H        GLY   6   3.002   4.415  -0.745
   40    HA2  GLY   6           HA2      GLY   6   4.172   1.882  -1.434
   41    HA3  GLY   6           HA3      GLY   6   3.733   2.447   0.173
   42    H    GLN   7           H        GLN   7   3.175  -0.134  -0.934
   43    HA   GLN   7           HA       GLN   7   0.400  -0.174  -1.637
   44    HB2  GLN   7           HB2      GLN   7   2.095  -1.933  -2.371
   45    HB3  GLN   7           HB3      GLN   7   2.063  -2.536  -0.719
   46    HG2  GLN   7           HG2      GLN   7  -0.339  -2.989  -0.932
   47    HG3  GLN   7           HG3      GLN   7  -0.303  -2.386  -2.584
   48   HE21  GLN   7          HE21      GLN   7  -1.139  -4.975  -1.745
   49   HE22  GLN   7          HE22      GLN   7  -0.117  -6.128  -2.453
   50    H    CYS   8           H        CYS   8  -1.089   0.247  -0.211
   51    HA   CYS   8           HA       CYS   8  -0.477   0.149   2.619
   52    HB2  CYS   8           HB2      CYS   8  -2.679   1.273   2.840
   53    HB3  CYS   8           HB3      CYS   8  -1.494   2.117   1.843
   54    H    GLY   9           H        GLY   9  -1.465  -2.240   0.764
   55    HA2  GLY   9           HA2      GLY   9  -2.065  -4.212   2.213
   56    HA3  GLY   9           HA3      GLY   9  -3.318  -3.175   2.866
   57    H    GLY  10           H        GLY  10  -2.259  -4.949   0.122
   58    HA2  GLY  10           HA2      GLY  10  -4.966  -4.855  -1.017
   59    HA3  GLY  10           HA3      GLY  10  -3.518  -5.453  -1.827
   60    H    ILE  11           H        ILE  11  -5.476  -7.173  -1.974
   61    HA   ILE  11           HA       ILE  11  -5.753  -8.976   0.146
   62    HB   ILE  11           HB       ILE  11  -5.779  -9.505  -2.848
   63   HG12  ILE  11          HG12      ILE  11  -8.062  -9.083  -0.904
   64   HG13  ILE  11          HG13      ILE  11  -7.483  -7.897  -2.068
   65   HG21  ILE  11          HG21      ILE  11  -6.726 -11.280  -0.598
   66   HG22  ILE  11          HG22      ILE  11  -5.376 -11.587  -1.687
   67   HG23  ILE  11          HG23      ILE  11  -7.025 -11.566  -2.312
   68   HD11  ILE  11          HD11      ILE  11  -8.162  -9.361  -3.896
   69   HD12  ILE  11          HD12      ILE  11  -9.519  -9.007  -2.822
   70   HD13  ILE  11          HD13      ILE  11  -8.705 -10.567  -2.730
   71    H    GLY  12           H        GLY  12  -4.207 -10.074   1.167
   72    HA2  GLY  12           HA2      GLY  12  -2.546 -11.774   1.154
   73    HA3  GLY  12           HA3      GLY  12  -2.020 -11.197  -0.418
   74    H    TYR  13           H        TYR  13  -2.300  -8.381   0.941
   75    HA   TYR  13           HA       TYR  13   0.513  -8.350   1.699
   76    HB2  TYR  13           HB2      TYR  13  -0.549  -6.707   0.056
   77    HB3  TYR  13           HB3      TYR  13  -1.363  -6.005   1.446
   78    HD1  TYR  13           HD1      TYR  13   1.815  -6.450  -0.280
   79    HD2  TYR  13           HD2      TYR  13  -0.099  -4.662   3.067
   80    HE1  TYR  13           HE1      TYR  13   3.771  -5.010   0.055
   81    HE2  TYR  13           HE2      TYR  13   1.859  -3.216   3.408
   82    HH   TYR  13           HH       TYR  13   4.202  -3.161   2.866
   83    H    SER  14           H        SER  14   1.168  -8.124   3.776
   84    HA   SER  14           HA       SER  14  -0.876  -7.500   5.778
   85    HB2  SER  14           HB2      SER  14   0.178  -9.318   7.169
   86    HB3  SER  14           HB3      SER  14  -0.700  -9.864   5.739
   87    HG   SER  14           HG       SER  14   1.935 -10.038   6.368
   88    H    GLY  15           H        GLY  15   1.948  -6.497   4.503
   89    HA2  GLY  15           HA2      GLY  15   3.448  -5.987   6.905
   90    HA3  GLY  15           HA3      GLY  15   3.817  -5.399   5.292
   91    HA   PRO  16           HA       PRO  16   2.632  -1.534   7.400
   92    HB2  PRO  16           HB2      PRO  16   3.460   0.055   5.274
   93    HB3  PRO  16           HB3      PRO  16   4.479  -0.439   6.623
   94    HG2  PRO  16           HG2      PRO  16   4.285  -1.570   3.879
   95    HG3  PRO  16           HG3      PRO  16   5.708  -1.358   4.912
   96    HD2  PRO  16           HD2      PRO  16   4.530  -3.741   4.551
   97    HD3  PRO  16           HD3      PRO  16   5.304  -3.288   6.083
   98    H    THR  17           H        THR  17   0.485  -1.333   7.405
   99    HA   THR  17           HA       THR  17  -0.954  -1.043   4.853
  100    HB   THR  17           HB       THR  17  -2.928  -1.761   6.351
  101    HG1  THR  17           HG1      THR  17  -2.369  -2.053   8.363
  102   HG21  THR  17          HG21      THR  17  -0.704  -3.727   5.735
  103   HG22  THR  17          HG22      THR  17  -1.951  -3.203   4.602
  104   HG23  THR  17          HG23      THR  17  -2.391  -4.151   6.022
  105    H    VAL  18           H        VAL  18  -0.273   0.542   7.865
  106    HA   VAL  18           HA       VAL  18  -2.450   2.422   7.429
  107    HB   VAL  18           HB       VAL  18  -0.367   2.325   9.639
  108   HG11  VAL  18          HG11      VAL  18  -2.834   4.039   9.376
  109   HG12  VAL  18          HG12      VAL  18  -1.161   4.596   9.295
  110   HG13  VAL  18          HG13      VAL  18  -1.803   3.946  10.804
  111   HG21  VAL  18          HG21      VAL  18  -1.878   0.432   9.761
  112   HG22  VAL  18          HG22      VAL  18  -3.268   1.504   9.623
  113   HG23  VAL  18          HG23      VAL  18  -2.249   1.572  11.057
  114    H    CYS  19           H        CYS  19  -2.129   4.065   6.127
  115    HA   CYS  19           HA       CYS  19   0.433   4.684   5.072
  116    HB2  CYS  19           HB2      CYS  19  -2.181   6.166   4.747
  117    HB3  CYS  19           HB3      CYS  19  -0.743   6.320   3.742
  118    H    ALA  20           H        ALA  20   1.366   6.790   5.040
  119    HA   ALA  20           HA       ALA  20   1.710   7.921   7.612
  120    HB1  ALA  20           HB1      ALA  20   2.552   9.029   4.935
  121    HB2  ALA  20           HB2      ALA  20   3.480   7.893   5.912
  122    HB3  ALA  20           HB3      ALA  20   3.169   9.524   6.512
  123    H    SER  21           H        SER  21   1.315  10.102   8.270
  124    HA   SER  21           HA       SER  21  -1.294  10.946   7.953
  125    HB2  SER  21           HB2      SER  21  -0.296  13.061   9.068
  126    HB3  SER  21           HB3      SER  21  -0.210  11.536   9.948
  127    HG   SER  21           HG       SER  21   1.800  12.983   8.656
  128    H    GLY  22           H        GLY  22  -2.191  11.811   6.247
  129    HA2  GLY  22           HA2      GLY  22  -2.312  13.842   4.878
  130    HA3  GLY  22           HA3      GLY  22  -0.596  13.609   4.547
  131    H    THR  23           H        THR  23  -1.226  10.625   4.502
  132    HA   THR  23           HA       THR  23  -2.125  10.649   1.713
  133    HB   THR  23           HB       THR  23  -0.775   8.626   1.358
  134    HG1  THR  23           HG1      THR  23  -0.455   8.829   4.140
  135   HG21  THR  23          HG21      THR  23   0.778  10.861   2.661
  136   HG22  THR  23          HG22      THR  23   0.287  10.784   0.970
  137   HG23  THR  23          HG23      THR  23   1.459   9.627   1.603
  138    H    THR  24           H        THR  24  -3.533   9.043   1.021
  139    HA   THR  24           HA       THR  24  -4.909   7.609   3.175
  140    HB   THR  24           HB       THR  24  -6.923   7.770   1.567
  141    HG1  THR  24           HG1      THR  24  -5.070   9.338   0.221
  142   HG21  THR  24          HG21      THR  24  -5.889  10.244   2.959
  143   HG22  THR  24          HG22      THR  24  -6.831   8.953   3.701
  144   HG23  THR  24          HG23      THR  24  -7.560   9.981   2.467
  145    H    CYS  25           H        CYS  25  -5.384   5.472   2.854
  146    HA   CYS  25           HA       CYS  25  -3.945   4.068   0.849
  147    HB2  CYS  25           HB2      CYS  25  -4.320   2.979   3.004
  148    HB3  CYS  25           HB3      CYS  25  -6.072   3.094   2.789
  149    H    GLN  26           H        GLN  26  -4.529   4.177  -1.217
  150    HA   GLN  26           HA       GLN  26  -7.366   4.227  -1.906
  151    HB2  GLN  26           HB2      GLN  26  -4.903   4.812  -3.560
  152    HB3  GLN  26           HB3      GLN  26  -6.557   4.927  -4.135
  153    HG2  GLN  26           HG2      GLN  26  -5.349   6.589  -1.931
  154    HG3  GLN  26           HG3      GLN  26  -5.597   7.109  -3.595
  155   HE21  GLN  26          HE21      GLN  26  -6.643   8.197  -1.120
  156   HE22  GLN  26          HE22      GLN  26  -8.354   8.187  -1.288
  157    H    VAL  27           H        VAL  27  -8.191   2.308  -2.419
  158    HA   VAL  27           HA       VAL  27  -6.505   0.104  -3.156
  159    HB   VAL  27           HB       VAL  27  -9.537   0.326  -3.132
  160   HG11  VAL  27          HG11      VAL  27  -7.770  -2.089  -3.451
  161   HG12  VAL  27          HG12      VAL  27  -8.873  -1.422  -4.655
  162   HG13  VAL  27          HG13      VAL  27  -9.511  -2.153  -3.180
  163   HG21  VAL  27          HG21      VAL  27  -9.415  -0.981  -1.061
  164   HG22  VAL  27          HG22      VAL  27  -8.566   0.559  -0.905
  165   HG23  VAL  27          HG23      VAL  27  -7.655  -0.936  -1.141
  166    H    LEU  28           H        LEU  28  -5.566   0.326  -5.060
  167    HA   LEU  28           HA       LEU  28  -6.922   1.590  -7.279
  168    HB2  LEU  28           HB2      LEU  28  -4.219   0.270  -7.154
  169    HB3  LEU  28           HB3      LEU  28  -4.828   1.203  -8.496
  170    HG   LEU  28           HG       LEU  28  -4.151   2.265  -5.750
  171   HD11  LEU  28          HD11      LEU  28  -2.222   1.702  -7.056
  172   HD12  LEU  28          HD12      LEU  28  -2.381   3.458  -6.947
  173   HD13  LEU  28          HD13      LEU  28  -2.837   2.613  -8.429
  174   HD21  LEU  28          HD21      LEU  28  -6.018   3.517  -6.706
  175   HD22  LEU  28          HD22      LEU  28  -5.097   3.706  -8.209
  176   HD23  LEU  28          HD23      LEU  28  -4.518   4.459  -6.723
  177    H    ASN  29           H        ASN  29  -5.838  -1.599  -6.327
  178    HA   ASN  29           HA       ASN  29  -7.487  -2.835  -8.390
  179    HB2  ASN  29           HB2      ASN  29  -4.545  -3.473  -7.917
  180    HB3  ASN  29           HB3      ASN  29  -5.633  -4.446  -8.890
  181   HD21  ASN  29          HD21      ASN  29  -3.682  -1.625  -8.739
  182   HD22  ASN  29          HD22      ASN  29  -3.839  -1.154 -10.380
  183    HA   PRO  30           HA       PRO  30  -8.546  -5.739  -5.176
  184    HB2  PRO  30           HB2      PRO  30  -7.218  -7.918  -6.740
  185    HB3  PRO  30           HB3      PRO  30  -8.821  -7.891  -5.997
  186    HG2  PRO  30           HG2      PRO  30  -8.610  -7.560  -8.597
  187    HG3  PRO  30           HG3      PRO  30  -9.713  -6.523  -7.672
  188    HD2  PRO  30           HD2      PRO  30  -7.010  -5.916  -8.773
  189    HD3  PRO  30           HD3      PRO  30  -8.443  -4.878  -8.721
  190    H    TYR  31           H        TYR  31  -5.279  -6.450  -6.478
  191    HA   TYR  31           HA       TYR  31  -4.499  -7.094  -3.713
  192    HB2  TYR  31           HB2      TYR  31  -2.892  -7.435  -6.244
  193    HB3  TYR  31           HB3      TYR  31  -2.463  -8.031  -4.651
  194    HD1  TYR  31           HD1      TYR  31  -3.662  -9.996  -3.727
  195    HD2  TYR  31           HD2      TYR  31  -4.413  -8.572  -7.649
  196    HE1  TYR  31           HE1      TYR  31  -4.720 -12.140  -4.295
  197    HE2  TYR  31           HE2      TYR  31  -5.481 -10.702  -8.236
  198    HH   TYR  31           HH       TYR  31  -5.338 -13.061  -7.453
  199    H    TYR  32           H        TYR  32  -4.002  -4.705  -6.227
  200    HA   TYR  32           HA       TYR  32  -1.861  -3.629  -4.607
  201    HB2  TYR  32           HB2      TYR  32  -1.471  -3.852  -7.057
  202    HB3  TYR  32           HB3      TYR  32  -2.690  -2.607  -7.315
  203    HD1  TYR  32           HD1      TYR  32  -1.984  -0.389  -7.445
  204    HD2  TYR  32           HD2      TYR  32   0.425  -3.212  -5.380
  205    HE1  TYR  32           HE1      TYR  32  -0.279   1.353  -7.062
  206    HE2  TYR  32           HE2      TYR  32   2.145  -1.504  -5.000
  207    HH   TYR  32           HH       TYR  32   2.877   0.580  -5.997
  208    H    SER  33           H        SER  33  -2.274  -2.282  -3.102
  209    HA   SER  33           HA       SER  33  -4.283  -0.198  -3.553
  210    HB2  SER  33           HB2      SER  33  -3.427  -1.442  -0.914
  211    HB3  SER  33           HB3      SER  33  -4.676  -0.213  -1.123
  212    HG   SER  33           HG       SER  33  -5.386  -2.456  -0.912
  213    H    GLN  34           H        GLN  34  -3.500   1.920  -3.005
  214    HA   GLN  34           HA       GLN  34  -0.651   2.035  -2.318
  215    HB2  GLN  34           HB2      GLN  34  -0.724   2.065  -4.707
  216    HB3  GLN  34           HB3      GLN  34  -2.008   3.259  -4.710
  217    HG2  GLN  34           HG2      GLN  34  -0.492   4.932  -3.879
  218    HG3  GLN  34           HG3      GLN  34   0.789   3.709  -3.752
  219   HE21  GLN  34          HE21      GLN  34   1.890   3.103  -5.584
  220   HE22  GLN  34          HE22      GLN  34   1.659   3.850  -7.108
  221    H    CYS  35           H        CYS  35  -0.157   3.638  -0.929
  222    HA   CYS  35           HA       CYS  35  -2.235   5.332   0.097
  223    HB2  CYS  35           HB2      CYS  35   0.739   5.547   0.652
  224    HB3  CYS  35           HB3      CYS  35  -0.578   6.262   1.562
  225    H    LEU  36           H        LEU  36  -2.897   7.110  -0.832
  226    HA   LEU  36           HA       LEU  36  -0.977   8.770  -2.259
  227    HB2  LEU  36           HB2      LEU  36  -3.843   8.189  -2.984
  228    HB3  LEU  36           HB3      LEU  36  -2.897   9.469  -3.712
  229    HG   LEU  36           HG       LEU  36  -2.225   6.526  -3.880
  230   HD11  LEU  36          HD11      LEU  36  -2.877   6.710  -6.212
  231   HD12  LEU  36          HD12      LEU  36  -3.392   8.380  -5.950
  232   HD13  LEU  36          HD13      LEU  36  -4.235   7.054  -5.145
  233   HD21  LEU  36          HD21      LEU  36  -0.242   7.928  -3.982
  234   HD22  LEU  36          HD22      LEU  36  -1.000   8.945  -5.205
  235   HD23  LEU  36          HD23      LEU  36  -0.602   7.269  -5.579
  236    H2   BGC 101           H2       BGC 101   8.295   2.909   0.717
  237    H3   BGC 101           H3       BGC 101   6.057   0.961   1.384
  238    H4   BGC 101           H4       BGC 101   8.954   1.197   2.211
  239    H5   BGC 101           H5       BGC 101   6.313   1.502   3.754
  240   H6C1  BGC 101           H61      BGC 101   9.207   1.918   4.608
  241   H6C2  BGC 101           H62      BGC 101   8.148   0.602   5.159
  242    H1   BGC 101           H1       BGC 101   5.605   3.229   2.090
  243    HB   BGC 101           HO2      BGC 101   6.645   3.846  -0.569
  244    HC   BGC 101           HO3      BGC 101   6.991   0.625  -0.607
  245    HD   BGC 101           HO4      BGC 101   8.059  -0.887   1.898
  246    H6   BGC 101           HO6      BGC 101   7.649   3.409   5.555
  Start of MODEL   11
    1    H1   THR   1           H1       THR   1   5.194   2.926  10.119
    2    H2   THR   1           H2       THR   1   6.174   3.484   8.861
    3    H3   THR   1           H3       THR   1   5.497   1.927   8.779
    4    HA   THR   1           HA       THR   1   3.309   2.888   8.675
    5    HB   THR   1           HB       THR   1   4.740   5.553   8.548
    6    HG1  THR   1           HG1      THR   1   3.693   5.668  10.774
    7   HG21  THR   1          HG21      THR   1   2.507   6.427   9.000
    8   HG22  THR   1          HG22      THR   1   1.869   4.789   9.103
    9   HG23  THR   1          HG23      THR   1   2.477   5.404   7.565
   10    H    GLN   2           H        GLN   2   2.494   3.020   6.561
   11    HA   GLN   2           HA       GLN   2   4.427   2.648   4.483
   12    HB2  GLN   2           HB2      GLN   2   2.298   1.347   4.568
   13    HB3  GLN   2           HB3      GLN   2   1.408   2.835   4.353
   14    HG2  GLN   2           HG2      GLN   2   1.573   1.538   2.276
   15    HG3  GLN   2           HG3      GLN   2   2.310   3.127   2.124
   16   HE21  GLN   2          HE21      GLN   2   2.856  -0.275   2.160
   17   HE22  GLN   2          HE22      GLN   2   4.493  -0.200   1.623
   18    H    SER   3           H        SER   3   5.230   4.155   3.236
   19    HA   SER   3           HA       SER   3   4.429   6.862   3.563
   20    HB2  SER   3           HB2      SER   3   6.393   7.408   2.327
   21    HB3  SER   3           HB3      SER   3   6.822   6.077   3.390
   22    H    HIS   4           H        HIS   4   4.396   8.222   1.495
   23    HA   HIS   4           HA       HIS   4   2.096   7.657   0.019
   24    HB2  HIS   4           HB2      HIS   4   3.206   9.917   0.544
   25    HB3  HIS   4           HB3      HIS   4   4.310   9.559  -0.766
   26    HD1  HIS   4           HD1      HIS   4   3.268  11.852  -1.696
   27    HD2  HIS   4           HD2      HIS   4   0.718   8.603  -1.653
   28    HE1  HIS   4           HE1      HIS   4   1.365  12.481  -3.189
   29    HE2  HIS   4           HE2      HIS   4  -0.283  10.655  -2.879
   30    H    TYR   5           H        TYR   5   1.789   6.597  -1.859
   31    HA   TYR   5           HA       TYR   5   2.055   5.514  -3.741
   32    HB2  TYR   5           HB2      TYR   5   4.916   6.470  -3.759
   33    HB3  TYR   5           HB3      TYR   5   4.218   5.490  -5.036
   34    HD1  TYR   5           HD1      TYR   5   4.648   8.825  -3.794
   35    HD2  TYR   5           HD2      TYR   5   2.186   6.390  -6.255
   36    HE1  TYR   5           HE1      TYR   5   3.763  10.837  -4.894
   37    HE2  TYR   5           HE2      TYR   5   1.296   8.379  -7.359
   38    HH   TYR   5           HH       TYR   5   2.719  11.425  -7.010
   39    H    GLY   6           H        GLY   6   3.138   4.572  -0.939
   40    HA2  GLY   6           HA2      GLY   6   4.425   2.117  -1.753
   41    HA3  GLY   6           HA3      GLY   6   3.981   2.606  -0.121
   42    H    GLN   7           H        GLN   7   3.498   0.026  -0.996
   43    HA   GLN   7           HA       GLN   7   0.737  -0.115  -1.839
   44    HB2  GLN   7           HB2      GLN   7   2.525  -1.751  -2.598
   45    HB3  GLN   7           HB3      GLN   7   2.523  -2.390  -0.961
   46    HG2  GLN   7           HG2      GLN   7   0.163  -2.996  -1.202
   47    HG3  GLN   7           HG3      GLN   7   0.163  -2.353  -2.838
   48   HE21  GLN   7          HE21      GLN   7  -0.453  -5.077  -2.126
   49   HE22  GLN   7          HE22      GLN   7   0.735  -6.052  -2.889
   50    H    CYS   8           H        CYS   8  -0.737   0.300  -0.375
   51    HA   CYS   8           HA       CYS   8  -0.128   0.087   2.458
   52    HB2  CYS   8           HB2      CYS   8  -2.299   1.204   2.789
   53    HB3  CYS   8           HB3      CYS   8  -1.185   2.096   1.762
   54    H    GLY   9           H        GLY   9  -1.030  -2.199   0.515
   55    HA2  GLY   9           HA2      GLY   9  -1.584  -4.293   1.689
   56    HA3  GLY   9           HA3      GLY   9  -2.717  -3.347   2.634
   57    H    GLY  10           H        GLY  10  -2.152  -5.075  -0.193
   58    HA2  GLY  10           HA2      GLY  10  -4.904  -4.643  -1.069
   59    HA3  GLY  10           HA3      GLY  10  -3.637  -5.484  -1.969
   60    H    ILE  11           H        ILE  11  -5.608  -7.047  -1.953
   61    HA   ILE  11           HA       ILE  11  -6.261  -8.529   0.297
   62    HB   ILE  11           HB       ILE  11  -6.023  -9.476  -2.577
   63   HG12  ILE  11          HG12      ILE  11  -8.447  -8.537  -1.026
   64   HG13  ILE  11          HG13      ILE  11  -7.568  -7.561  -2.195
   65   HG21  ILE  11          HG21      ILE  11  -6.032 -11.362  -1.068
   66   HG22  ILE  11          HG22      ILE  11  -7.571 -11.262  -1.926
   67   HG23  ILE  11          HG23      ILE  11  -7.462 -10.736  -0.242
   68   HD11  ILE  11          HD11      ILE  11  -8.163  -9.148  -3.957
   69   HD12  ILE  11          HD12      ILE  11  -9.590  -8.485  -3.159
   70   HD13  ILE  11          HD13      ILE  11  -9.043 -10.119  -2.776
   71    H    GLY  12           H        GLY  12  -5.009  -9.642   1.637
   72    HA2  GLY  12           HA2      GLY  12  -3.610 -11.445   2.175
   73    HA3  GLY  12           HA3      GLY  12  -2.933 -11.375   0.554
   74    H    TYR  13           H        TYR  13  -2.598  -8.380   0.959
   75    HA   TYR  13           HA       TYR  13   0.098  -8.644   2.003
   76    HB2  TYR  13           HB2      TYR  13  -0.452  -7.326  -0.089
   77    HB3  TYR  13           HB3      TYR  13  -1.253  -6.152   0.941
   78    HD1  TYR  13           HD1      TYR  13   0.136  -4.722   2.502
   79    HD2  TYR  13           HD2      TYR  13   1.920  -7.410  -0.284
   80    HE1  TYR  13           HE1      TYR  13   2.266  -3.548   2.750
   81    HE2  TYR  13           HE2      TYR  13   4.067  -6.246  -0.027
   82    HH   TYR  13           HH       TYR  13   4.699  -4.044   2.440
   83    H    SER  14           H        SER  14   0.427  -8.472   4.085
   84    HA   SER  14           HA       SER  14  -1.405  -6.844   5.697
   85    HB2  SER  14           HB2      SER  14   0.066  -9.288   6.452
   86    HB3  SER  14           HB3      SER  14  -1.200  -8.502   7.405
   87    HG   SER  14           HG       SER  14  -1.462  -9.807   4.884
   88    H    GLY  15           H        GLY  15   1.336  -6.369   4.419
   89    HA2  GLY  15           HA2      GLY  15   3.114  -6.025   6.657
   90    HA3  GLY  15           HA3      GLY  15   3.411  -5.513   5.005
   91    HA   PRO  16           HA       PRO  16   2.799  -1.472   7.020
   92    HB2  PRO  16           HB2      PRO  16   3.638  -0.064   4.758
   93    HB3  PRO  16           HB3      PRO  16   4.699  -0.580   6.063
   94    HG2  PRO  16           HG2      PRO  16   4.234  -1.799   3.395
   95    HG3  PRO  16           HG3      PRO  16   5.721  -1.719   4.350
   96    HD2  PRO  16           HD2      PRO  16   4.218  -3.949   4.118
   97    HD3  PRO  16           HD3      PRO  16   5.182  -3.594   5.561
   98    H    THR  17           H        THR  17   0.672  -1.278   7.119
   99    HA   THR  17           HA       THR  17  -0.858  -1.087   4.630
  100    HB   THR  17           HB       THR  17  -2.753  -1.966   6.210
  101    HG1  THR  17           HG1      THR  17  -0.416  -2.975   7.484
  102   HG21  THR  17          HG21      THR  17  -2.152  -4.269   5.649
  103   HG22  THR  17          HG22      THR  17  -0.481  -3.782   5.374
  104   HG23  THR  17          HG23      THR  17  -1.749  -3.203   4.298
  105    H    VAL  18           H        VAL  18  -0.036   0.547   7.488
  106    HA   VAL  18           HA       VAL  18  -2.354   2.306   7.290
  107    HB   VAL  18           HB       VAL  18  -0.146   2.286   9.370
  108   HG11  VAL  18          HG11      VAL  18  -1.650   3.721  10.676
  109   HG12  VAL  18          HG12      VAL  18  -2.782   3.738   9.324
  110   HG13  VAL  18          HG13      VAL  18  -1.184   4.463   9.143
  111   HG21  VAL  18          HG21      VAL  18  -2.952   1.181   9.567
  112   HG22  VAL  18          HG22      VAL  18  -1.793   1.282  10.894
  113   HG23  VAL  18          HG23      VAL  18  -1.465   0.235   9.515
  114    H    CYS  19           H        CYS  19  -2.135   4.163   6.237
  115    HA   CYS  19           HA       CYS  19   0.409   4.779   5.059
  116    HB2  CYS  19           HB2      CYS  19  -2.231   6.228   4.803
  117    HB3  CYS  19           HB3      CYS  19  -0.803   6.418   3.778
  118    H    ALA  20           H        ALA  20   1.471   6.739   5.207
  119    HA   ALA  20           HA       ALA  20   1.745   7.907   7.732
  120    HB1  ALA  20           HB1      ALA  20   2.486   9.062   5.040
  121    HB2  ALA  20           HB2      ALA  20   3.486   7.975   5.998
  122    HB3  ALA  20           HB3      ALA  20   3.115   9.589   6.598
  123    H    SER  21           H        SER  21   1.065   9.862   8.567
  124    HA   SER  21           HA       SER  21  -1.559  10.597   8.137
  125    HB2  SER  21           HB2      SER  21   0.691  12.189   9.384
  126    HB3  SER  21           HB3      SER  21  -1.038  12.457   9.640
  127    HG   SER  21           HG       SER  21  -1.156  10.328  10.442
  128    H    GLY  22           H        GLY  22  -2.425  11.569   6.451
  129    HA2  GLY  22           HA2      GLY  22  -2.481  13.720   5.201
  130    HA3  GLY  22           HA3      GLY  22  -0.763  13.457   4.928
  131    H    THR  23           H        THR  23  -1.252  10.536   4.652
  132    HA   THR  23           HA       THR  23  -2.275  10.680   1.920
  133    HB   THR  23           HB       THR  23  -0.911   8.643   1.436
  134    HG1  THR  23           HG1      THR  23  -0.313   8.903   4.173
  135   HG21  THR  23          HG21      THR  23  -0.009  10.851   0.925
  136   HG22  THR  23          HG22      THR  23   1.270   9.748   1.437
  137   HG23  THR  23          HG23      THR  23   0.656  10.966   2.556
  138    H    THR  24           H        THR  24  -3.553   8.931   1.181
  139    HA   THR  24           HA       THR  24  -4.774   7.393   3.353
  140    HB   THR  24           HB       THR  24  -6.948   7.673   1.887
  141    HG1  THR  24           HG1      THR  24  -5.397   9.207   0.441
  142   HG21  THR  24          HG21      THR  24  -5.875   9.852   3.683
  143   HG22  THR  24          HG22      THR  24  -6.744   8.408   4.207
  144   HG23  THR  24          HG23      THR  24  -7.570   9.638   3.249
  145    H    CYS  25           H        CYS  25  -5.259   5.291   2.977
  146    HA   CYS  25           HA       CYS  25  -3.917   3.991   0.862
  147    HB2  CYS  25           HB2      CYS  25  -4.266   2.954   3.089
  148    HB3  CYS  25           HB3      CYS  25  -5.994   2.900   2.780
  149    H    GLN  26           H        GLN  26  -4.566   3.876  -1.168
  150    HA   GLN  26           HA       GLN  26  -7.432   3.951  -1.774
  151    HB2  GLN  26           HB2      GLN  26  -5.080   4.491  -3.574
  152    HB3  GLN  26           HB3      GLN  26  -6.772   4.705  -3.964
  153    HG2  GLN  26           HG2      GLN  26  -5.160   6.297  -1.992
  154    HG3  GLN  26           HG3      GLN  26  -5.708   6.814  -3.586
  155   HE21  GLN  26          HE21      GLN  26  -6.140   8.037  -1.085
  156   HE22  GLN  26          HE22      GLN  26  -7.845   8.127  -0.815
  157    H    VAL  27           H        VAL  27  -8.238   2.147  -2.604
  158    HA   VAL  27           HA       VAL  27  -6.525  -0.079  -3.251
  159    HB   VAL  27           HB       VAL  27  -9.537   0.228  -3.523
  160   HG11  VAL  27          HG11      VAL  27  -9.585  -2.240  -3.637
  161   HG12  VAL  27          HG12      VAL  27  -7.818  -2.243  -3.670
  162   HG13  VAL  27          HG13      VAL  27  -8.723  -1.510  -4.991
  163   HG21  VAL  27          HG21      VAL  27  -9.682  -1.109  -1.474
  164   HG22  VAL  27          HG22      VAL  27  -8.822   0.407  -1.201
  165   HG23  VAL  27          HG23      VAL  27  -7.924  -1.102  -1.347
  166    H    LEU  28           H        LEU  28  -5.452   0.174  -5.105
  167    HA   LEU  28           HA       LEU  28  -6.685   1.528  -7.358
  168    HB2  LEU  28           HB2      LEU  28  -3.956   0.284  -7.051
  169    HB3  LEU  28           HB3      LEU  28  -4.497   1.161  -8.464
  170    HG   LEU  28           HG       LEU  28  -4.126   2.343  -5.705
  171   HD11  LEU  28          HD11      LEU  28  -2.273   3.539  -6.749
  172   HD12  LEU  28          HD12      LEU  28  -2.531   2.628  -8.240
  173   HD13  LEU  28          HD13      LEU  28  -2.041   1.795  -6.760
  174   HD21  LEU  28          HD21      LEU  28  -5.907   3.464  -6.933
  175   HD22  LEU  28          HD22      LEU  28  -4.819   3.615  -8.326
  176   HD23  LEU  28          HD23      LEU  28  -4.454   4.472  -6.829
  177    H    ASN  29           H        ASN  29  -5.607  -1.645  -6.392
  178    HA   ASN  29           HA       ASN  29  -7.281  -2.853  -8.410
  179    HB2  ASN  29           HB2      ASN  29  -4.328  -3.556  -8.039
  180    HB3  ASN  29           HB3      ASN  29  -5.468  -4.465  -9.014
  181   HD21  ASN  29          HD21      ASN  29  -3.431  -1.708  -8.844
  182   HD22  ASN  29          HD22      ASN  29  -3.642  -1.176 -10.467
  183    HA   PRO  30           HA       PRO  30  -8.365  -5.615  -5.123
  184    HB2  PRO  30           HB2      PRO  30  -7.121  -7.899  -6.589
  185    HB3  PRO  30           HB3      PRO  30  -8.727  -7.783  -5.857
  186    HG2  PRO  30           HG2      PRO  30  -8.473  -7.561  -8.472
  187    HG3  PRO  30           HG3      PRO  30  -9.562  -6.467  -7.593
  188    HD2  PRO  30           HD2      PRO  30  -6.851  -5.952  -8.716
  189    HD3  PRO  30           HD3      PRO  30  -8.264  -4.879  -8.670
  190    H    TYR  31           H        TYR  31  -5.094  -6.480  -6.330
  191    HA   TYR  31           HA       TYR  31  -4.400  -7.098  -3.554
  192    HB2  TYR  31           HB2      TYR  31  -2.888  -7.744  -6.108
  193    HB3  TYR  31           HB3      TYR  31  -2.389  -8.197  -4.486
  194    HD1  TYR  31           HD1      TYR  31  -4.764  -8.896  -7.209
  195    HD2  TYR  31           HD2      TYR  31  -3.484 -10.012  -3.310
  196    HE1  TYR  31           HE1      TYR  31  -6.028 -10.999  -7.398
  197    HE2  TYR  31           HE2      TYR  31  -4.750 -12.111  -3.488
  198    HH   TYR  31           HH       TYR  31  -6.674 -12.988  -4.724
  199    H    TYR  32           H        TYR  32  -3.764  -4.855  -6.132
  200    HA   TYR  32           HA       TYR  32  -1.602  -3.708  -4.567
  201    HB2  TYR  32           HB2      TYR  32  -1.283  -3.974  -7.030
  202    HB3  TYR  32           HB3      TYR  32  -2.543  -2.764  -7.274
  203    HD1  TYR  32           HD1      TYR  32  -1.878  -0.514  -7.498
  204    HD2  TYR  32           HD2      TYR  32   0.622  -3.237  -5.390
  205    HE1  TYR  32           HE1      TYR  32  -0.188   1.250  -7.228
  206    HE2  TYR  32           HE2      TYR  32   2.312  -1.493  -5.114
  207    HH   TYR  32           HH       TYR  32   2.991   0.491  -6.065
  208    H    SER  33           H        SER  33  -2.081  -2.321  -3.055
  209    HA   SER  33           HA       SER  33  -4.104  -0.287  -3.616
  210    HB2  SER  33           HB2      SER  33  -3.314  -1.446  -0.927
  211    HB3  SER  33           HB3      SER  33  -4.596  -0.278  -1.225
  212    HG   SER  33           HG       SER  33  -5.115  -2.607  -0.970
  213    H    GLN  34           H        GLN  34  -3.396   1.841  -2.925
  214    HA   GLN  34           HA       GLN  34  -0.577   1.990  -2.168
  215    HB2  GLN  34           HB2      GLN  34  -0.504   2.076  -4.550
  216    HB3  GLN  34           HB3      GLN  34  -1.831   3.227  -4.604
  217    HG2  GLN  34           HG2      GLN  34  -0.422   4.928  -3.612
  218    HG3  GLN  34           HG3      GLN  34   0.893   3.765  -3.479
  219   HE21  GLN  34          HE21      GLN  34   2.092   3.275  -5.256
  220   HE22  GLN  34          HE22      GLN  34   1.923   4.095  -6.762
  221    H    CYS  35           H        CYS  35  -0.068   3.700  -0.904
  222    HA   CYS  35           HA       CYS  35  -2.237   5.248   0.163
  223    HB2  CYS  35           HB2      CYS  35   0.732   5.621   0.714
  224    HB3  CYS  35           HB3      CYS  35  -0.605   6.328   1.586
  225    H    LEU  36           H        LEU  36  -3.051   6.901  -0.734
  226    HA   LEU  36           HA       LEU  36  -1.430   8.924  -2.022
  227    HB2  LEU  36           HB2      LEU  36  -4.016   7.749  -3.082
  228    HB3  LEU  36           HB3      LEU  36  -3.234   9.169  -3.728
  229    HG   LEU  36           HG       LEU  36  -2.076   6.381  -3.811
  230   HD11  LEU  36          HD11      LEU  36  -2.603   6.474  -6.204
  231   HD12  LEU  36          HD12      LEU  36  -3.404   8.026  -5.955
  232   HD13  LEU  36          HD13      LEU  36  -4.060   6.570  -5.214
  233   HD21  LEU  36          HD21      LEU  36  -1.201   8.942  -5.145
  234   HD22  LEU  36          HD22      LEU  36  -0.464   7.353  -5.356
  235   HD23  LEU  36          HD23      LEU  36  -0.384   8.156  -3.793
  236    H2   BGC 101           H2       BGC 101   8.213   3.913   0.075
  237    H3   BGC 101           H3       BGC 101   5.922   1.917   0.282
  238    H4   BGC 101           H4       BGC 101   8.828   1.860   1.126
  239    H5   BGC 101           H5       BGC 101   6.210   1.937   2.740
  240   H6C1  BGC 101           H61      BGC 101   9.137   1.943   3.565
  241   H6C2  BGC 101           H62      BGC 101   7.923   0.702   3.964
  242    H1   BGC 101           H1       BGC 101   5.545   3.944   1.499
  243    HB   BGC 101           HO2      BGC 101   6.567   5.177  -0.885
  244    HC   BGC 101           HO3      BGC 101   6.919   2.008  -1.793
  245    HD   BGC 101           HO4      BGC 101   7.848  -0.119   0.407
  246    H6   BGC 101           HO6      BGC 101   7.574   3.431   4.674
  Start of MODEL   12
    1    H1   THR   1           H1       THR   1   4.029   1.246   9.008
    2    H2   THR   1           H2       THR   1   4.148   2.403  10.291
    3    H3   THR   1           H3       THR   1   5.305   2.345   9.068
    4    HA   THR   1           HA       THR   1   2.516   3.032   8.626
    5    HB   THR   1           HB       THR   1   4.929   4.849   8.755
    6    HG1  THR   1           HG1      THR   1   3.439   5.247  10.880
    7   HG21  THR   1          HG21      THR   1   3.197   6.581   9.042
    8   HG22  THR   1          HG22      THR   1   1.941   5.343   8.970
    9   HG23  THR   1          HG23      THR   1   2.931   5.678   7.551
   10    H    GLN   2           H        GLN   2   2.098   3.217   6.462
   11    HA   GLN   2           HA       GLN   2   4.173   2.316   4.652
   12    HB2  GLN   2           HB2      GLN   2   1.864   1.352   4.608
   13    HB3  GLN   2           HB3      GLN   2   1.268   2.922   4.098
   14    HG2  GLN   2           HG2      GLN   2   1.495   1.448   2.200
   15    HG3  GLN   2           HG3      GLN   2   2.633   2.788   2.083
   16   HE21  GLN   2          HE21      GLN   2   2.272  -0.575   2.679
   17   HE22  GLN   2          HE22      GLN   2   3.893  -1.044   2.431
   18    H    SER   3           H        SER   3   5.354   3.684   3.508
   19    HA   SER   3           HA       SER   3   4.961   6.429   3.557
   20    HB2  SER   3           HB2      SER   3   6.878   6.549   2.039
   21    HB3  SER   3           HB3      SER   3   7.197   5.431   3.355
   22    H    HIS   4           H        HIS   4   4.788   7.832   1.713
   23    HA   HIS   4           HA       HIS   4   2.424   7.485   0.253
   24    HB2  HIS   4           HB2      HIS   4   3.594   9.657   0.866
   25    HB3  HIS   4           HB3      HIS   4   4.735   9.316  -0.421
   26    HD1  HIS   4           HD1      HIS   4   4.044  11.512  -1.646
   27    HD2  HIS   4           HD2      HIS   4   0.937   8.809  -1.132
   28    HE1  HIS   4           HE1      HIS   4   2.116  12.423  -2.952
   29    HE2  HIS   4           HE2      HIS   4   0.220  10.922  -2.434
   30    H    TYR   5           H        TYR   5   2.011   6.516  -1.659
   31    HA   TYR   5           HA       TYR   5   2.179   5.454  -3.577
   32    HB2  TYR   5           HB2      TYR   5   5.104   6.218  -3.618
   33    HB3  TYR   5           HB3      TYR   5   4.318   5.304  -4.897
   34    HD1  TYR   5           HD1      TYR   5   4.980   8.564  -3.549
   35    HD2  TYR   5           HD2      TYR   5   2.440   6.397  -6.171
   36    HE1  TYR   5           HE1      TYR   5   4.318  10.662  -4.634
   37    HE2  TYR   5           HE2      TYR   5   1.770   8.492  -7.266
   38    HH   TYR   5           HH       TYR   5   3.433  11.354  -6.851
   39    H    GLY   6           H        GLY   6   3.170   4.416  -0.787
   40    HA2  GLY   6           HA2      GLY   6   4.322   1.908  -1.626
   41    HA3  GLY   6           HA3      GLY   6   3.901   2.392   0.015
   42    H    GLN   7           H        GLN   7   3.258  -0.126  -1.034
   43    HA   GLN   7           HA       GLN   7   0.523  -0.106  -1.899
   44    HB2  GLN   7           HB2      GLN   7   2.272  -1.818  -2.600
   45    HB3  GLN   7           HB3      GLN   7   2.175  -2.466  -0.970
   46    HG2  GLN   7           HG2      GLN   7  -0.214  -2.946  -1.340
   47    HG3  GLN   7           HG3      GLN   7  -0.054  -2.349  -2.986
   48   HE21  GLN   7          HE21      GLN   7  -0.833  -5.031  -2.221
   49   HE22  GLN   7          HE22      GLN   7   0.361  -6.082  -2.854
   50    H    CYS   8           H        CYS   8  -0.970   0.370  -0.457
   51    HA   CYS   8           HA       CYS   8  -0.370   0.251   2.364
   52    HB2  CYS   8           HB2      CYS   8  -2.535   1.384   2.659
   53    HB3  CYS   8           HB3      CYS   8  -1.422   2.211   1.577
   54    H    GLY   9           H        GLY   9  -1.246  -2.197   0.633
   55    HA2  GLY   9           HA2      GLY   9  -1.825  -4.171   2.021
   56    HA3  GLY   9           HA3      GLY   9  -2.995  -3.129   2.801
   57    H    GLY  10           H        GLY  10  -2.250  -4.874  -0.063
   58    HA2  GLY  10           HA2      GLY  10  -5.072  -4.757  -0.864
   59    HA3  GLY  10           HA3      GLY  10  -3.738  -5.387  -1.835
   60    H    ILE  11           H        ILE  11  -5.571  -7.181  -1.788
   61    HA   ILE  11           HA       ILE  11  -5.694  -8.897   0.417
   62    HB   ILE  11           HB       ILE  11  -5.808  -9.593  -2.540
   63   HG12  ILE  11          HG12      ILE  11  -8.040  -9.087  -0.555
   64   HG13  ILE  11          HG13      ILE  11  -7.530  -7.982  -1.826
   65   HG21  ILE  11          HG21      ILE  11  -6.958 -11.655  -1.877
   66   HG22  ILE  11          HG22      ILE  11  -6.715 -11.247  -0.184
   67   HG23  ILE  11          HG23      ILE  11  -5.322 -11.585  -1.215
   68   HD11  ILE  11          HD11      ILE  11  -9.562  -9.188  -2.425
   69   HD12  ILE  11          HD12      ILE  11  -8.708 -10.722  -2.248
   70   HD13  ILE  11          HD13      ILE  11  -8.233  -9.590  -3.514
   71    H    GLY  12           H        GLY  12  -3.978  -9.788   1.439
   72    HA2  GLY  12           HA2      GLY  12  -2.345 -11.511   1.430
   73    HA3  GLY  12           HA3      GLY  12  -1.940 -11.079  -0.222
   74    H    TYR  13           H        TYR  13  -2.148  -8.162   1.087
   75    HA   TYR  13           HA       TYR  13   0.718  -8.187   1.736
   76    HB2  TYR  13           HB2      TYR  13  -0.111  -6.632  -0.067
   77    HB3  TYR  13           HB3      TYR  13  -1.053  -5.793   1.151
   78    HD1  TYR  13           HD1      TYR  13   0.194  -4.505   2.971
   79    HD2  TYR  13           HD2      TYR  13   2.183  -6.191  -0.392
   80    HE1  TYR  13           HE1      TYR  13   2.109  -3.025   3.367
   81    HE2  TYR  13           HE2      TYR  13   4.109  -4.720  -0.000
   82    HH   TYR  13           HH       TYR  13   4.547  -2.591   1.036
   83    H    SER  14           H        SER  14   1.052  -8.467   3.812
   84    HA   SER  14           HA       SER  14  -0.861  -7.351   5.721
   85    HB2  SER  14           HB2      SER  14   0.997  -9.634   5.978
   86    HB3  SER  14           HB3      SER  14  -0.200  -9.161   7.188
   87    HG   SER  14           HG       SER  14  -1.715  -9.410   5.288
   88    H    GLY  15           H        GLY  15   1.739  -6.306   4.447
   89    HA2  GLY  15           HA2      GLY  15   3.447  -5.862   6.732
   90    HA3  GLY  15           HA3      GLY  15   3.645  -5.174   5.125
   91    HA   PRO  16           HA       PRO  16   2.303  -1.616   7.610
   92    HB2  PRO  16           HB2      PRO  16   3.295   0.236   5.795
   93    HB3  PRO  16           HB3      PRO  16   4.163  -0.384   7.196
   94    HG2  PRO  16           HG2      PRO  16   4.459  -1.068   4.341
   95    HG3  PRO  16           HG3      PRO  16   5.647  -1.156   5.646
   96    HD2  PRO  16           HD2      PRO  16   4.324  -3.312   4.523
   97    HD3  PRO  16           HD3      PRO  16   5.119  -3.318   6.108
   98    H    THR  17           H        THR  17   0.163  -1.465   7.411
   99    HA   THR  17           HA       THR  17  -0.962  -0.931   4.769
  100    HB   THR  17           HB       THR  17  -3.129  -1.653   5.846
  101    HG1  THR  17           HG1      THR  17  -2.883  -2.823   7.813
  102   HG21  THR  17          HG21      THR  17  -0.860  -3.654   5.928
  103   HG22  THR  17          HG22      THR  17  -1.759  -3.198   4.486
  104   HG23  THR  17          HG23      THR  17  -2.574  -4.046   5.803
  105    H    VAL  18           H        VAL  18  -0.405   0.538   7.816
  106    HA   VAL  18           HA       VAL  18  -2.486   2.516   7.411
  107    HB   VAL  18           HB       VAL  18  -0.382   2.263   9.593
  108   HG11  VAL  18          HG11      VAL  18  -0.950   4.604   9.274
  109   HG12  VAL  18          HG12      VAL  18  -1.657   4.013  10.781
  110   HG13  VAL  18          HG13      VAL  18  -2.669   4.214   9.350
  111   HG21  VAL  18          HG21      VAL  18  -2.103   0.535   9.684
  112   HG22  VAL  18          HG22      VAL  18  -3.357   1.771   9.643
  113   HG23  VAL  18          HG23      VAL  18  -2.273   1.662  11.029
  114    H    CYS  19           H        CYS  19  -2.127   4.092   6.068
  115    HA   CYS  19           HA       CYS  19   0.452   4.707   5.040
  116    HB2  CYS  19           HB2      CYS  19  -2.151   6.193   4.710
  117    HB3  CYS  19           HB3      CYS  19  -0.708   6.364   3.716
  118    H    ALA  20           H        ALA  20   1.429   6.815   5.047
  119    HA   ALA  20           HA       ALA  20   1.776   7.967   7.576
  120    HB1  ALA  20           HB1      ALA  20   2.373   9.132   4.851
  121    HB2  ALA  20           HB2      ALA  20   3.452   8.100   5.788
  122    HB3  ALA  20           HB3      ALA  20   3.037   9.707   6.377
  123    H    SER  21           H        SER  21   1.142  10.048   8.344
  124    HA   SER  21           HA       SER  21  -1.577  10.606   8.005
  125    HB2  SER  21           HB2      SER  21   0.587  12.337   9.203
  126    HB3  SER  21           HB3      SER  21  -1.143  12.457   9.523
  127    HG   SER  21           HG       SER  21  -0.792  10.068  10.057
  128    H    GLY  22           H        GLY  22  -2.501  11.562   6.354
  129    HA2  GLY  22           HA2      GLY  22  -2.760  13.622   5.083
  130    HA3  GLY  22           HA3      GLY  22  -1.008  13.635   4.890
  131    H    THR  23           H        THR  23  -1.339  10.560   4.604
  132    HA   THR  23           HA       THR  23  -2.061  10.701   1.775
  133    HB   THR  23           HB       THR  23  -0.656   8.714   1.394
  134    HG1  THR  23           HG1      THR  23  -0.375   8.832   4.198
  135   HG21  THR  23          HG21      THR  23   0.381  10.898   1.134
  136   HG22  THR  23          HG22      THR  23   1.557   9.743   1.765
  137   HG23  THR  23          HG23      THR  23   0.811  10.922   2.842
  138    H    THR  24           H        THR  24  -3.412   9.098   0.944
  139    HA   THR  24           HA       THR  24  -4.845   7.648   3.037
  140    HB   THR  24           HB       THR  24  -6.865   7.866   1.456
  141    HG1  THR  24           HG1      THR  24  -5.014   9.456   0.119
  142   HG21  THR  24          HG21      THR  24  -6.700   8.986   3.625
  143   HG22  THR  24          HG22      THR  24  -7.470  10.035   2.436
  144   HG23  THR  24          HG23      THR  24  -5.784  10.301   2.887
  145    H    CYS  25           H        CYS  25  -5.224   5.555   2.785
  146    HA   CYS  25           HA       CYS  25  -3.901   4.097   0.765
  147    HB2  CYS  25           HB2      CYS  25  -4.285   3.101   2.969
  148    HB3  CYS  25           HB3      CYS  25  -6.031   3.192   2.732
  149    H    GLN  26           H        GLN  26  -4.505   4.199  -1.266
  150    HA   GLN  26           HA       GLN  26  -7.343   4.220  -1.894
  151    HB2  GLN  26           HB2      GLN  26  -4.935   4.892  -3.589
  152    HB3  GLN  26           HB3      GLN  26  -6.604   4.985  -4.124
  153    HG2  GLN  26           HG2      GLN  26  -5.364   6.613  -1.919
  154    HG3  GLN  26           HG3      GLN  26  -5.718   7.186  -3.547
  155   HE21  GLN  26          HE21      GLN  26  -6.684   8.161  -0.984
  156   HE22  GLN  26          HE22      GLN  26  -8.406   8.070  -1.093
  157    H    VAL  27           H        VAL  27  -8.141   2.281  -2.375
  158    HA   VAL  27           HA       VAL  27  -6.388   0.128  -3.161
  159    HB   VAL  27           HB       VAL  27  -9.418   0.142  -2.892
  160   HG11  VAL  27          HG11      VAL  27  -9.227  -2.297  -2.854
  161   HG12  VAL  27          HG12      VAL  27  -7.484  -2.166  -3.098
  162   HG13  VAL  27          HG13      VAL  27  -8.586  -1.638  -4.362
  163   HG21  VAL  27          HG21      VAL  27  -7.286  -0.803  -0.981
  164   HG22  VAL  27          HG22      VAL  27  -9.019  -1.032  -0.774
  165   HG23  VAL  27          HG23      VAL  27  -8.339   0.601  -0.762
  166    H    LEU  28           H        LEU  28  -5.739   0.067  -5.142
  167    HA   LEU  28           HA       LEU  28  -7.295   1.308  -7.279
  168    HB2  LEU  28           HB2      LEU  28  -4.497   0.170  -7.232
  169    HB3  LEU  28           HB3      LEU  28  -5.234   0.933  -8.625
  170    HG   LEU  28           HG       LEU  28  -4.707   2.351  -6.001
  171   HD11  LEU  28          HD11      LEU  28  -2.625   1.705  -7.080
  172   HD12  LEU  28          HD12      LEU  28  -2.879   3.449  -7.191
  173   HD13  LEU  28          HD13      LEU  28  -3.171   2.421  -8.597
  174   HD21  LEU  28          HD21      LEU  28  -5.107   4.351  -7.322
  175   HD22  LEU  28          HD22      LEU  28  -6.529   3.291  -7.319
  176   HD23  LEU  28          HD23      LEU  28  -5.448   3.336  -8.724
  177    H    ASN  29           H        ASN  29  -5.657  -1.729  -6.599
  178    HA   ASN  29           HA       ASN  29  -7.445  -3.112  -8.494
  179    HB2  ASN  29           HB2      ASN  29  -4.579  -3.813  -7.712
  180    HB3  ASN  29           HB3      ASN  29  -5.629  -4.825  -8.662
  181   HD21  ASN  29          HD21      ASN  29  -5.343  -1.354  -9.138
  182   HD22  ASN  29          HD22      ASN  29  -4.546  -1.457 -10.670
  183    HA   PRO  30           HA       PRO  30  -8.686  -5.650  -5.008
  184    HB2  PRO  30           HB2      PRO  30  -7.480  -8.025  -6.371
  185    HB3  PRO  30           HB3      PRO  30  -9.094  -7.848  -5.679
  186    HG2  PRO  30           HG2      PRO  30  -8.809  -7.755  -8.292
  187    HG3  PRO  30           HG3      PRO  30  -9.862  -6.574  -7.487
  188    HD2  PRO  30           HD2      PRO  30  -7.089  -6.232  -8.536
  189    HD3  PRO  30           HD3      PRO  30  -8.464  -5.119  -8.660
  190    H    TYR  31           H        TYR  31  -5.452  -6.419  -6.271
  191    HA   TYR  31           HA       TYR  31  -4.612  -7.037  -3.519
  192    HB2  TYR  31           HB2      TYR  31  -3.176  -7.555  -6.124
  193    HB3  TYR  31           HB3      TYR  31  -2.620  -8.043  -4.536
  194    HD1  TYR  31           HD1      TYR  31  -3.414 -10.042  -3.538
  195    HD2  TYR  31           HD2      TYR  31  -5.207  -8.614  -7.102
  196    HE1  TYR  31           HE1      TYR  31  -4.574 -12.186  -3.809
  197    HE2  TYR  31           HE2      TYR  31  -6.378 -10.745  -7.375
  198    HH   TYR  31           HH       TYR  31  -6.680 -12.973  -4.968
  199    H    TYR  32           H        TYR  32  -4.146  -4.756  -6.115
  200    HA   TYR  32           HA       TYR  32  -1.913  -3.611  -4.675
  201    HB2  TYR  32           HB2      TYR  32  -1.629  -3.891  -7.096
  202    HB3  TYR  32           HB3      TYR  32  -2.969  -2.785  -7.373
  203    HD1  TYR  32           HD1      TYR  32   0.123  -2.811  -5.295
  204    HD2  TYR  32           HD2      TYR  32  -2.343  -0.639  -8.017
  205    HE1  TYR  32           HE1      TYR  32   1.687  -0.940  -5.208
  206    HE2  TYR  32           HE2      TYR  32  -0.766   1.228  -7.933
  207    HH   TYR  32           HH       TYR  32   0.956   2.125  -6.585
  208    H    SER  33           H        SER  33  -2.244  -2.195  -3.208
  209    HA   SER  33           HA       SER  33  -4.293  -0.149  -3.598
  210    HB2  SER  33           HB2      SER  33  -3.358  -1.401  -0.985
  211    HB3  SER  33           HB3      SER  33  -4.638  -0.200  -1.169
  212    HG   SER  33           HG       SER  33  -5.380  -2.379  -0.950
  213    H    GLN  34           H        GLN  34  -3.483   1.982  -3.016
  214    HA   GLN  34           HA       GLN  34  -0.639   2.079  -2.304
  215    HB2  GLN  34           HB2      GLN  34  -0.562   2.193  -4.676
  216    HB3  GLN  34           HB3      GLN  34  -1.899   3.328  -4.738
  217    HG2  GLN  34           HG2      GLN  34  -0.517   5.054  -3.766
  218    HG3  GLN  34           HG3      GLN  34   0.826   3.911  -3.601
  219   HE21  GLN  34          HE21      GLN  34   2.056   3.420  -5.410
  220   HE22  GLN  34          HE22      GLN  34   1.822   4.247  -6.910
  221    H    CYS  35           H        CYS  35  -0.095   3.692  -0.949
  222    HA   CYS  35           HA       CYS  35  -2.158   5.402   0.102
  223    HB2  CYS  35           HB2      CYS  35   0.812   5.607   0.647
  224    HB3  CYS  35           HB3      CYS  35  -0.518   6.307   1.548
  225    H    LEU  36           H        LEU  36  -2.804   7.120  -0.883
  226    HA   LEU  36           HA       LEU  36  -0.877   8.830  -2.247
  227    HB2  LEU  36           HB2      LEU  36  -3.764   8.255  -2.900
  228    HB3  LEU  36           HB3      LEU  36  -2.842   9.550  -3.636
  229    HG   LEU  36           HG       LEU  36  -2.126   6.629  -3.855
  230   HD11  LEU  36          HD11      LEU  36  -4.226   7.093  -4.992
  231   HD12  LEU  36          HD12      LEU  36  -2.925   6.799  -6.144
  232   HD13  LEU  36          HD13      LEU  36  -3.477   8.450  -5.835
  233   HD21  LEU  36          HD21      LEU  36  -0.625   7.418  -5.627
  234   HD22  LEU  36          HD22      LEU  36  -0.207   8.115  -4.069
  235   HD23  LEU  36          HD23      LEU  36  -1.073   9.082  -5.265
  236    H2   BGC 101           H2       BGC 101   8.506   2.480   0.794
  237    H3   BGC 101           H3       BGC 101   6.049   0.768   1.229
  238    H4   BGC 101           H4       BGC 101   8.846   0.699   2.473
  239    H5   BGC 101           H5       BGC 101   6.110   1.461   3.707
  240   H6C1  BGC 101           H61      BGC 101   8.985   1.404   4.717
  241   H6C2  BGC 101           H62      BGC 101   7.590   0.555   5.410
  242    H1   BGC 101           H1       BGC 101   5.718   3.028   1.900
  243    HB   BGC 101           HO2      BGC 101   7.308   1.889  -1.065
  244    HC   BGC 101           HO3      BGC 101   8.639   0.167   0.174
  245    HD   BGC 101           HO4      BGC 101   6.444  -0.775   2.906
  246    H6   BGC 101           HO6      BGC 101   6.730   2.478   6.131
  Start of MODEL   13
    1    H1   THR   1           H1       THR   1   3.725   1.134   9.208
    2    H2   THR   1           H2       THR   1   3.701   2.241  10.522
    3    H3   THR   1           H3       THR   1   4.912   2.300   9.370
    4    HA   THR   1           HA       THR   1   2.126   2.801   8.734
    5    HB   THR   1           HB       THR   1   4.352   4.787   9.230
    6    HG1  THR   1           HG1      THR   1   3.565   4.999  11.226
    7   HG21  THR   1          HG21      THR   1   2.508   6.397   9.258
    8   HG22  THR   1          HG22      THR   1   1.360   5.094   8.943
    9   HG23  THR   1          HG23      THR   1   2.554   5.533   7.721
   10    H    GLN   2           H        GLN   2   1.834   3.163   6.560
   11    HA   GLN   2           HA       GLN   2   3.997   2.380   4.828
   12    HB2  GLN   2           HB2      GLN   2   1.712   1.442   4.573
   13    HB3  GLN   2           HB3      GLN   2   1.104   3.051   4.239
   14    HG2  GLN   2           HG2      GLN   2   1.378   1.704   2.221
   15    HG3  GLN   2           HG3      GLN   2   2.383   3.152   2.201
   16   HE21  GLN   2          HE21      GLN   2   2.373  -0.310   2.454
   17   HE22  GLN   2          HE22      GLN   2   4.058  -0.514   2.193
   18    H    SER   3           H        SER   3   5.200   3.743   3.676
   19    HA   SER   3           HA       SER   3   4.879   6.530   3.948
   20    HB2  SER   3           HB2      SER   3   6.927   6.717   2.721
   21    HB3  SER   3           HB3      SER   3   7.093   5.321   3.750
   22    H    HIS   4           H        HIS   4   5.135   7.886   1.788
   23    HA   HIS   4           HA       HIS   4   2.632   7.578   0.468
   24    HB2  HIS   4           HB2      HIS   4   3.877   9.778   0.941
   25    HB3  HIS   4           HB3      HIS   4   4.905   9.369  -0.428
   26    HD1  HIS   4           HD1      HIS   4   3.800  11.800  -1.244
   27    HD2  HIS   4           HD2      HIS   4   1.301   8.491  -1.225
   28    HE1  HIS   4           HE1      HIS   4   1.808  12.440  -2.598
   29    HE2  HIS   4           HE2      HIS   4   0.192  10.624  -2.038
   30    H    TYR   5           H        TYR   5   2.155   6.578  -1.392
   31    HA   TYR   5           HA       TYR   5   2.277   5.650  -3.372
   32    HB2  TYR   5           HB2      TYR   5   5.228   6.340  -3.394
   33    HB3  TYR   5           HB3      TYR   5   4.408   5.531  -4.726
   34    HD1  TYR   5           HD1      TYR   5   2.271   6.740  -5.591
   35    HD2  TYR   5           HD2      TYR   5   5.368   8.679  -3.431
   36    HE1  TYR   5           HE1      TYR   5   1.536   8.888  -6.488
   37    HE2  TYR   5           HE2      TYR   5   4.634  10.851  -4.334
   38    HH   TYR   5           HH       TYR   5   3.379  11.717  -6.234
   39    H    GLY   6           H        GLY   6   3.067   4.377  -0.679
   40    HA2  GLY   6           HA2      GLY   6   4.130   1.877  -1.753
   41    HA3  GLY   6           HA3      GLY   6   3.952   2.293  -0.052
   42    H    GLN   7           H        GLN   7   3.107  -0.134  -1.136
   43    HA   GLN   7           HA       GLN   7   0.309  -0.047  -1.676
   44    HB2  GLN   7           HB2      GLN   7   1.830  -1.810  -2.564
   45    HB3  GLN   7           HB3      GLN   7   2.019  -2.427  -0.931
   46    HG2  GLN   7           HG2      GLN   7  -0.324  -2.995  -0.829
   47    HG3  GLN   7           HG3      GLN   7  -0.601  -2.262  -2.406
   48   HE21  GLN   7          HE21      GLN   7  -1.144  -4.941  -1.605
   49   HE22  GLN   7          HE22      GLN   7  -0.201  -5.968  -2.610
   50    H    CYS   8           H        CYS   8  -1.177   0.334  -0.217
   51    HA   CYS   8           HA       CYS   8  -0.596   0.127   2.612
   52    HB2  CYS   8           HB2      CYS   8  -2.869   1.181   2.838
   53    HB3  CYS   8           HB3      CYS   8  -1.644   2.122   1.997
   54    H    GLY   9           H        GLY   9  -1.409  -2.232   0.737
   55    HA2  GLY   9           HA2      GLY   9  -1.903  -4.190   2.299
   56    HA3  GLY   9           HA3      GLY   9  -3.351  -3.280   2.691
   57    H    GLY  10           H        GLY  10  -1.781  -5.300   0.501
   58    HA2  GLY  10           HA2      GLY  10  -4.150  -5.356  -1.201
   59    HA3  GLY  10           HA3      GLY  10  -2.579  -6.027  -1.623
   60    H    ILE  11           H        ILE  11  -4.354  -7.749  -2.063
   61    HA   ILE  11           HA       ILE  11  -5.083  -9.326   0.203
   62    HB   ILE  11           HB       ILE  11  -5.007 -10.002  -2.753
   63   HG12  ILE  11          HG12      ILE  11  -7.345  -9.235  -0.994
   64   HG13  ILE  11          HG13      ILE  11  -6.573  -8.181  -2.174
   65   HG21  ILE  11          HG21      ILE  11  -6.328 -11.501  -0.501
   66   HG22  ILE  11          HG22      ILE  11  -4.874 -11.994  -1.374
   67   HG23  ILE  11          HG23      ILE  11  -6.424 -11.894  -2.225
   68   HD11  ILE  11          HD11      ILE  11  -8.654  -9.133  -3.027
   69   HD12  ILE  11          HD12      ILE  11  -8.003 -10.754  -2.789
   70   HD13  ILE  11          HD13      ILE  11  -7.264  -9.674  -3.967
   71    H    GLY  12           H        GLY  12  -3.539 -10.278   1.346
   72    HA2  GLY  12           HA2      GLY  12  -1.978 -12.047   1.573
   73    HA3  GLY  12           HA3      GLY  12  -1.460 -11.744  -0.085
   74    H    TYR  13           H        TYR  13  -1.877  -8.842   1.439
   75    HA   TYR  13           HA       TYR  13   1.017  -8.528   1.760
   76    HB2  TYR  13           HB2      TYR  13  -0.360  -6.915   0.352
   77    HB3  TYR  13           HB3      TYR  13  -1.140  -6.411   1.839
   78    HD1  TYR  13           HD1      TYR  13   2.062  -6.475   0.019
   79    HD2  TYR  13           HD2      TYR  13  -0.088  -4.829   3.298
   80    HE1  TYR  13           HE1      TYR  13   3.838  -4.811   0.340
   81    HE2  TYR  13           HE2      TYR  13   1.687  -3.164   3.630
   82    HH   TYR  13           HH       TYR  13   4.133  -2.647   1.311
   83    H    SER  14           H        SER  14   1.908  -8.140   3.756
   84    HA   SER  14           HA       SER  14   0.054  -8.097   6.018
   85    HB2  SER  14           HB2      SER  14   1.949  -9.435   7.120
   86    HB3  SER  14           HB3      SER  14   0.908 -10.255   5.951
   87    HG   SER  14           HG       SER  14   3.528  -9.996   5.866
   88    H    GLY  15           H        GLY  15   2.268  -6.268   4.453
   89    HA2  GLY  15           HA2      GLY  15   3.827  -5.356   6.688
   90    HA3  GLY  15           HA3      GLY  15   3.848  -4.701   5.057
   91    HA   PRO  16           HA       PRO  16   1.918  -1.499   7.623
   92    HB2  PRO  16           HB2      PRO  16   2.779   0.609   6.132
   93    HB3  PRO  16           HB3      PRO  16   3.725  -0.149   7.403
   94    HG2  PRO  16           HG2      PRO  16   3.947  -0.438   4.458
   95    HG3  PRO  16           HG3      PRO  16   5.219  -0.466   5.684
   96    HD2  PRO  16           HD2      PRO  16   4.153  -2.687   4.451
   97    HD3  PRO  16           HD3      PRO  16   4.991  -2.709   6.013
   98    H    THR  17           H        THR  17  -0.181  -1.474   7.369
   99    HA   THR  17           HA       THR  17  -1.390  -0.980   4.754
  100    HB   THR  17           HB       THR  17  -3.460  -1.697   6.044
  101    HG1  THR  17           HG1      THR  17  -3.081  -2.727   7.985
  102   HG21  THR  17          HG21      THR  17  -2.220  -3.195   4.538
  103   HG22  THR  17          HG22      THR  17  -2.866  -4.061   5.930
  104   HG23  THR  17          HG23      THR  17  -1.150  -3.644   5.868
  105    H    VAL  18           H        VAL  18  -0.823   0.535   7.747
  106    HA   VAL  18           HA       VAL  18  -2.908   2.530   7.348
  107    HB   VAL  18           HB       VAL  18  -0.800   2.303   9.531
  108   HG11  VAL  18          HG11      VAL  18  -2.166   3.932  10.764
  109   HG12  VAL  18          HG12      VAL  18  -3.240   4.081   9.373
  110   HG13  VAL  18          HG13      VAL  18  -1.562   4.607   9.249
  111   HG21  VAL  18          HG21      VAL  18  -2.390   0.449   9.548
  112   HG22  VAL  18          HG22      VAL  18  -3.733   1.592   9.583
  113   HG23  VAL  18          HG23      VAL  18  -2.615   1.496  10.946
  114    H    CYS  19           H        CYS  19  -2.514   4.450   6.403
  115    HA   CYS  19           HA       CYS  19   0.075   4.775   5.161
  116    HB2  CYS  19           HB2      CYS  19  -2.456   6.406   4.835
  117    HB3  CYS  19           HB3      CYS  19  -1.007   6.469   3.828
  118    H    ALA  20           H        ALA  20   1.289   6.664   5.236
  119    HA   ALA  20           HA       ALA  20   1.570   7.844   7.779
  120    HB1  ALA  20           HB1      ALA  20   2.755   8.695   5.140
  121    HB2  ALA  20           HB2      ALA  20   3.448   7.502   6.236
  122    HB3  ALA  20           HB3      ALA  20   3.316   9.191   6.737
  123    H    SER  21           H        SER  21   1.553  10.166   8.212
  124    HA   SER  21           HA       SER  21  -0.891  11.345   7.860
  125    HB2  SER  21           HB2      SER  21   1.737  12.716   8.408
  126    HB3  SER  21           HB3      SER  21   0.128  13.218   8.940
  127    HG   SER  21           HG       SER  21   1.091  12.194  10.627
  128    H    GLY  22           H        GLY  22  -1.738  12.207   6.092
  129    HA2  GLY  22           HA2      GLY  22  -1.713  13.983   4.479
  130    HA3  GLY  22           HA3      GLY  22  -0.002  13.673   4.237
  131    H    THR  23           H        THR  23  -1.354  10.680   4.451
  132    HA   THR  23           HA       THR  23  -1.917  10.653   1.575
  133    HB   THR  23           HB       THR  23  -0.745   8.487   1.361
  134    HG1  THR  23           HG1      THR  23  -0.323   8.880   4.146
  135   HG21  THR  23          HG21      THR  23   0.514  10.527   0.931
  136   HG22  THR  23          HG22      THR  23   1.553   9.289   1.642
  137   HG23  THR  23          HG23      THR  23   0.957  10.621   2.635
  138    H    THR  24           H        THR  24  -3.346   9.007   0.848
  139    HA   THR  24           HA       THR  24  -4.979   7.803   2.977
  140    HB   THR  24           HB       THR  24  -6.881   8.066   1.260
  141    HG1  THR  24           HG1      THR  24  -4.808   9.412  -0.044
  142   HG21  THR  24          HG21      THR  24  -6.771   9.415   3.313
  143   HG22  THR  24          HG22      THR  24  -7.366  10.377   1.957
  144   HG23  THR  24          HG23      THR  24  -5.700  10.562   2.502
  145    H    CYS  25           H        CYS  25  -5.728   5.670   2.560
  146    HA   CYS  25           HA       CYS  25  -4.125   4.231   0.652
  147    HB2  CYS  25           HB2      CYS  25  -4.509   3.194   2.844
  148    HB3  CYS  25           HB3      CYS  25  -6.253   3.258   2.580
  149    H    GLN  26           H        GLN  26  -4.697   4.334  -1.392
  150    HA   GLN  26           HA       GLN  26  -7.526   4.390  -2.122
  151    HB2  GLN  26           HB2      GLN  26  -5.049   4.821  -3.804
  152    HB3  GLN  26           HB3      GLN  26  -6.707   5.050  -4.335
  153    HG2  GLN  26           HG2      GLN  26  -5.349   6.647  -2.170
  154    HG3  GLN  26           HG3      GLN  26  -5.536   7.165  -3.841
  155   HE21  GLN  26          HE21      GLN  26  -6.481   8.367  -1.373
  156   HE22  GLN  26          HE22      GLN  26  -8.179   8.531  -1.564
  157    H    VAL  27           H        VAL  27  -8.354   2.385  -2.460
  158    HA   VAL  27           HA       VAL  27  -6.672   0.212  -3.296
  159    HB   VAL  27           HB       VAL  27  -9.713   0.318  -3.098
  160   HG11  VAL  27          HG11      VAL  27  -7.868  -2.056  -3.379
  161   HG12  VAL  27          HG12      VAL  27  -8.946  -1.437  -4.626
  162   HG13  VAL  27          HG13      VAL  27  -9.616  -2.135  -3.149
  163   HG21  VAL  27          HG21      VAL  27  -9.415  -0.939  -1.028
  164   HG22  VAL  27          HG22      VAL  27  -8.621   0.642  -0.942
  165   HG23  VAL  27          HG23      VAL  27  -7.668  -0.816  -1.214
  166    H    LEU  28           H        LEU  28  -5.843   0.658  -5.196
  167    HA   LEU  28           HA       LEU  28  -7.340   1.825  -7.342
  168    HB2  LEU  28           HB2      LEU  28  -4.648   0.475  -7.417
  169    HB3  LEU  28           HB3      LEU  28  -5.318   1.508  -8.657
  170    HG   LEU  28           HG       LEU  28  -4.439   2.361  -5.894
  171   HD11  LEU  28          HD11      LEU  28  -3.303   2.960  -8.613
  172   HD12  LEU  28          HD12      LEU  28  -2.637   1.840  -7.431
  173   HD13  LEU  28          HD13      LEU  28  -2.698   3.566  -7.067
  174   HD21  LEU  28          HD21      LEU  28  -5.541   3.999  -8.164
  175   HD22  LEU  28          HD22      LEU  28  -4.841   4.627  -6.672
  176   HD23  LEU  28          HD23      LEU  28  -6.341   3.694  -6.614
  177    H    ASN  29           H        ASN  29  -6.183  -1.370  -6.447
  178    HA   ASN  29           HA       ASN  29  -7.878  -2.547  -8.501
  179    HB2  ASN  29           HB2      ASN  29  -4.955  -3.262  -8.069
  180    HB3  ASN  29           HB3      ASN  29  -6.071  -4.113  -9.131
  181   HD21  ASN  29          HD21      ASN  29  -4.004  -1.380  -8.753
  182   HD22  ASN  29          HD22      ASN  29  -4.187  -0.769 -10.346
  183    HA   PRO  30           HA       PRO  30  -9.089  -5.463  -5.399
  184    HB2  PRO  30           HB2      PRO  30  -7.880  -7.702  -6.954
  185    HB3  PRO  30           HB3      PRO  30  -9.510  -7.552  -6.280
  186    HG2  PRO  30           HG2      PRO  30  -9.118  -7.221  -8.877
  187    HG3  PRO  30           HG3      PRO  30 -10.229  -6.170  -7.984
  188    HD2  PRO  30           HD2      PRO  30  -7.473  -5.612  -8.973
  189    HD3  PRO  30           HD3      PRO  30  -8.878  -4.530  -8.912
  190    H    TYR  31           H        TYR  31  -5.805  -6.189  -6.614
  191    HA   TYR  31           HA       TYR  31  -5.113  -7.093  -3.907
  192    HB2  TYR  31           HB2      TYR  31  -3.510  -7.371  -6.479
  193    HB3  TYR  31           HB3      TYR  31  -3.077  -8.007  -4.908
  194    HD1  TYR  31           HD1      TYR  31  -3.750 -10.143  -4.280
  195    HD2  TYR  31           HD2      TYR  31  -5.673  -8.243  -7.555
  196    HE1  TYR  31           HE1      TYR  31  -4.951 -12.231  -4.782
  197    HE2  TYR  31           HE2      TYR  31  -6.865 -10.311  -8.070
  198    HH   TYR  31           HH       TYR  31  -6.902 -12.993  -5.915
  199    H    TYR  32           H        TYR  32  -4.544  -4.571  -6.255
  200    HA   TYR  32           HA       TYR  32  -2.360  -3.630  -4.614
  201    HB2  TYR  32           HB2      TYR  32  -1.950  -3.752  -7.039
  202    HB3  TYR  32           HB3      TYR  32  -3.165  -2.498  -7.279
  203    HD1  TYR  32           HD1      TYR  32  -2.477  -0.264  -7.302
  204    HD2  TYR  32           HD2      TYR  32  -0.081  -3.170  -5.330
  205    HE1  TYR  32           HE1      TYR  32  -0.783   1.451  -6.812
  206    HE2  TYR  32           HE2      TYR  32   1.615  -1.471  -4.852
  207    HH   TYR  32           HH       TYR  32   2.337   0.636  -5.635
  208    H    SER  33           H        SER  33  -2.695  -2.322  -3.037
  209    HA   SER  33           HA       SER  33  -4.618  -0.113  -3.344
  210    HB2  SER  33           HB2      SER  33  -3.660  -1.480  -0.796
  211    HB3  SER  33           HB3      SER  33  -4.839  -0.173  -0.887
  212    HG   SER  33           HG       SER  33  -5.224  -2.800  -1.071
  213    H    GLN  34           H        GLN  34  -3.662   1.970  -2.944
  214    HA   GLN  34           HA       GLN  34  -0.824   1.920  -2.155
  215    HB2  GLN  34           HB2      GLN  34  -0.969   1.987  -4.602
  216    HB3  GLN  34           HB3      GLN  34  -1.981   3.417  -4.507
  217    HG2  GLN  34           HG2      GLN  34  -0.183   4.688  -3.581
  218    HG3  GLN  34           HG3      GLN  34   0.880   3.267  -3.551
  219   HE21  GLN  34          HE21      GLN  34   2.408   4.069  -4.943
  220   HE22  GLN  34          HE22      GLN  34   2.089   4.481  -6.589
  221    H    CYS  35           H        CYS  35  -0.229   3.536  -0.769
  222    HA   CYS  35           HA       CYS  35  -2.259   5.379   0.124
  223    HB2  CYS  35           HB2      CYS  35   0.673   5.364   0.944
  224    HB3  CYS  35           HB3      CYS  35  -0.653   6.239   1.676
  225    H    LEU  36           H        LEU  36  -2.738   7.020  -1.007
  226    HA   LEU  36           HA       LEU  36  -0.657   8.518  -2.381
  227    HB2  LEU  36           HB2      LEU  36  -3.549   8.070  -3.131
  228    HB3  LEU  36           HB3      LEU  36  -2.468   9.171  -3.966
  229    HG   LEU  36           HG       LEU  36  -2.035   6.185  -3.775
  230   HD11  LEU  36          HD11      LEU  36  -3.999   6.691  -5.127
  231   HD12  LEU  36          HD12      LEU  36  -2.646   6.097  -6.088
  232   HD13  LEU  36          HD13      LEU  36  -3.036   7.821  -6.092
  233   HD21  LEU  36          HD21      LEU  36   0.027   7.417  -4.028
  234   HD22  LEU  36          HD22      LEU  36  -0.657   8.326  -5.373
  235   HD23  LEU  36          HD23      LEU  36  -0.379   6.593  -5.532
  236    H2   BGC 101           H2       BGC 101   8.144   3.027   0.393
  237    H3   BGC 101           H3       BGC 101   5.680   1.318   0.834
  238    H4   BGC 101           H4       BGC 101   8.619   0.927   1.485
  239    H5   BGC 101           H5       BGC 101   6.135   1.359   3.277
  240   H6C1  BGC 101           H61      BGC 101   9.107   1.056   3.899
  241   H6C2  BGC 101           H62      BGC 101   7.800  -0.007   4.441
  242    H1   BGC 101           H1       BGC 101   5.601   3.363   1.993
  243    HB   BGC 101           HO2      BGC 101   6.575   4.407  -0.509
  244    HC   BGC 101           HO3      BGC 101   6.554   1.269  -1.305
  245    HD   BGC 101           HO4      BGC 101   7.388  -0.902   0.875
  246    H6   BGC 101           HO6      BGC 101   7.490   1.275   6.066
  Start of MODEL   14
    1    H1   THR   1           H1       THR   1   3.537   0.938   9.120
    2    H2   THR   1           H2       THR   1   3.509   1.953  10.478
    3    H3   THR   1           H3       THR   1   4.871   1.904   9.481
    4    HA   THR   1           HA       THR   1   2.229   2.888   8.696
    5    HB   THR   1           HB       THR   1   4.766   4.484   9.134
    6    HG1  THR   1           HG1      THR   1   3.223   5.056  11.084
    7   HG21  THR   1          HG21      THR   1   3.016   5.519   7.753
    8   HG22  THR   1          HG22      THR   1   3.140   6.350   9.306
    9   HG23  THR   1          HG23      THR   1   1.829   5.207   9.016
   10    H    GLN   2           H        GLN   2   2.115   3.503   6.525
   11    HA   GLN   2           HA       GLN   2   4.322   2.592   4.824
   12    HB2  GLN   2           HB2      GLN   2   2.118   1.360   4.746
   13    HB3  GLN   2           HB3      GLN   2   1.393   2.837   4.180
   14    HG2  GLN   2           HG2      GLN   2   1.829   1.171   2.398
   15    HG3  GLN   2           HG3      GLN   2   2.563   2.741   2.113
   16   HE21  GLN   2          HE21      GLN   2   3.112  -0.141   1.319
   17   HE22  GLN   2          HE22      GLN   2   4.808  -0.354   1.570
   18    H    SER   3           H        SER   3   5.267   4.035   3.601
   19    HA   SER   3           HA       SER   3   4.529   6.758   3.667
   20    HB2  SER   3           HB2      SER   3   6.529   7.167   2.417
   21    HB3  SER   3           HB3      SER   3   6.894   5.918   3.592
   22    H    HIS   4           H        HIS   4   4.574   8.028   1.591
   23    HA   HIS   4           HA       HIS   4   2.289   7.561   0.062
   24    HB2  HIS   4           HB2      HIS   4   3.549   9.749   0.580
   25    HB3  HIS   4           HB3      HIS   4   4.618   9.314  -0.738
   26    HD1  HIS   4           HD1      HIS   4   3.909  11.388  -2.085
   27    HD2  HIS   4           HD2      HIS   4   0.777   8.857  -1.149
   28    HE1  HIS   4           HE1      HIS   4   1.936  12.244  -3.382
   29    HE2  HIS   4           HE2      HIS   4   0.033  10.945  -2.444
   30    H    TYR   5           H        TYR   5   1.951   6.540  -1.855
   31    HA   TYR   5           HA       TYR   5   2.182   5.372  -3.691
   32    HB2  TYR   5           HB2      TYR   5   5.051   6.300  -3.723
   33    HB3  TYR   5           HB3      TYR   5   4.392   5.229  -4.940
   34    HD1  TYR   5           HD1      TYR   5   4.532   8.665  -3.766
   35    HD2  TYR   5           HD2      TYR   5   2.596   6.002  -6.446
   36    HE1  TYR   5           HE1      TYR   5   3.670  10.577  -5.048
   37    HE2  TYR   5           HE2      TYR   5   1.731   7.904  -7.729
   38    HH   TYR   5           HH       TYR   5   1.241  10.249  -7.422
   39    H    GLY   6           H        GLY   6   3.204   4.415  -0.879
   40    HA2  GLY   6           HA2      GLY   6   4.394   1.919  -1.732
   41    HA3  GLY   6           HA3      GLY   6   4.057   2.418  -0.076
   42    H    GLN   7           H        GLN   7   3.438  -0.099  -1.352
   43    HA   GLN   7           HA       GLN   7   0.643  -0.175  -1.855
   44    HB2  GLN   7           HB2      GLN   7   2.208  -1.877  -2.734
   45    HB3  GLN   7           HB3      GLN   7   2.549  -2.400  -1.095
   46    HG2  GLN   7           HG2      GLN   7   0.227  -3.141  -0.846
   47    HG3  GLN   7           HG3      GLN   7  -0.120  -2.600  -2.485
   48   HE21  GLN   7          HE21      GLN   7  -0.708  -4.810  -3.123
   49   HE22  GLN   7          HE22      GLN   7   0.555  -5.922  -3.405
   50    H    CYS   8           H        CYS   8  -0.820   0.183  -0.384
   51    HA   CYS   8           HA       CYS   8  -0.130   0.092   2.448
   52    HB2  CYS   8           HB2      CYS   8  -2.300   1.278   2.737
   53    HB3  CYS   8           HB3      CYS   8  -1.120   2.121   1.741
   54    H    GLY   9           H        GLY   9  -1.114  -2.226   0.604
   55    HA2  GLY   9           HA2      GLY   9  -1.721  -4.247   1.894
   56    HA3  GLY   9           HA3      GLY   9  -2.847  -3.220   2.762
   57    H    GLY  10           H        GLY  10  -2.180  -4.864  -0.176
   58    HA2  GLY  10           HA2      GLY  10  -4.995  -4.645  -0.951
   59    HA3  GLY  10           HA3      GLY  10  -3.669  -5.322  -1.916
   60    H    ILE  11           H        ILE  11  -5.684  -6.993  -1.783
   61    HA   ILE  11           HA       ILE  11  -5.837  -8.627   0.490
   62    HB   ILE  11           HB       ILE  11  -6.215  -9.440  -2.415
   63   HG12  ILE  11          HG12      ILE  11  -8.265  -8.545  -0.368
   64   HG13  ILE  11          HG13      ILE  11  -7.667  -7.557  -1.697
   65   HG21  ILE  11          HG21      ILE  11  -7.602 -11.268  -1.507
   66   HG22  ILE  11          HG22      ILE  11  -7.156 -10.775   0.129
   67   HG23  ILE  11          HG23      ILE  11  -5.924 -11.383  -0.975
   68   HD11  ILE  11          HD11      ILE  11  -9.229 -10.119  -1.955
   69   HD12  ILE  11          HD12      ILE  11  -8.632  -9.141  -3.295
   70   HD13  ILE  11          HD13      ILE  11  -9.853  -8.488  -2.203
   71    H    GLY  12           H        GLY  12  -4.215  -9.715   1.437
   72    HA2  GLY  12           HA2      GLY  12  -2.764 -11.625   1.334
   73    HA3  GLY  12           HA3      GLY  12  -2.357 -11.168  -0.313
   74    H    TYR  13           H        TYR  13  -2.291  -8.294   0.981
   75    HA   TYR  13           HA       TYR  13   0.557  -8.521   1.615
   76    HB2  TYR  13           HB2      TYR  13  -0.192  -6.905  -0.163
   77    HB3  TYR  13           HB3      TYR  13  -1.077  -6.025   1.071
   78    HD1  TYR  13           HD1      TYR  13   0.094  -4.539   2.610
   79    HD2  TYR  13           HD2      TYR  13   2.254  -6.936  -0.161
   80    HE1  TYR  13           HE1      TYR  13   2.115  -3.249   3.080
   81    HE2  TYR  13           HE2      TYR  13   4.289  -5.648   0.307
   82    HH   TYR  13           HH       TYR  13   4.901  -3.406   1.164
   83    H    SER  14           H        SER  14   1.162  -8.480   3.698
   84    HA   SER  14           HA       SER  14  -0.716  -7.303   5.607
   85    HB2  SER  14           HB2      SER  14   0.183  -9.084   7.192
   86    HB3  SER  14           HB3      SER  14  -0.875  -9.641   5.896
   87    HG   SER  14           HG       SER  14   0.653 -10.843   5.253
   88    H    GLY  15           H        GLY  15   1.737  -6.248   4.246
   89    HA2  GLY  15           HA2      GLY  15   3.623  -5.829   6.411
   90    HA3  GLY  15           HA3      GLY  15   3.700  -5.128   4.800
   91    HA   PRO  16           HA       PRO  16   2.478  -1.628   7.431
   92    HB2  PRO  16           HB2      PRO  16   3.473   0.319   5.769
   93    HB3  PRO  16           HB3      PRO  16   4.445  -0.520   6.973
   94    HG2  PRO  16           HG2      PRO  16   4.290  -0.960   4.036
   95    HG3  PRO  16           HG3      PRO  16   5.685  -1.072   5.120
   96    HD2  PRO  16           HD2      PRO  16   4.297  -3.232   4.160
   97    HD3  PRO  16           HD3      PRO  16   5.226  -3.237   5.668
   98    H    THR  17           H        THR  17   0.332  -1.470   7.285
   99    HA   THR  17           HA       THR  17  -0.894  -1.041   4.684
  100    HB   THR  17           HB       THR  17  -2.985  -1.734   5.955
  101    HG1  THR  17           HG1      THR  17  -2.775  -2.104   8.001
  102   HG21  THR  17          HG21      THR  17  -1.733  -3.261   4.464
  103   HG22  THR  17          HG22      THR  17  -2.390  -4.125   5.855
  104   HG23  THR  17          HG23      THR  17  -0.681  -3.697   5.805
  105    H    VAL  18           H        VAL  18  -0.320   0.546   7.669
  106    HA   VAL  18           HA       VAL  18  -2.489   2.444   7.275
  107    HB   VAL  18           HB       VAL  18  -0.430   2.245   9.482
  108   HG11  VAL  18          HG11      VAL  18  -1.104   4.555   9.205
  109   HG12  VAL  18          HG12      VAL  18  -1.817   3.901  10.682
  110   HG13  VAL  18          HG13      VAL  18  -2.806   4.092   9.232
  111   HG21  VAL  18          HG21      VAL  18  -3.359   1.578   9.407
  112   HG22  VAL  18          HG22      VAL  18  -2.341   1.550  10.844
  113   HG23  VAL  18          HG23      VAL  18  -2.023   0.429   9.516
  114    H    CYS  19           H        CYS  19  -2.162   4.082   5.988
  115    HA   CYS  19           HA       CYS  19   0.447   4.857   5.139
  116    HB2  CYS  19           HB2      CYS  19  -2.188   6.252   4.635
  117    HB3  CYS  19           HB3      CYS  19  -0.690   6.407   3.713
  118    H    ALA  20           H        ALA  20   1.480   6.781   5.524
  119    HA   ALA  20           HA       ALA  20   1.220   7.973   8.065
  120    HB1  ALA  20           HB1      ALA  20   2.810   9.645   7.245
  121    HB2  ALA  20           HB2      ALA  20   2.570   9.074   5.593
  122    HB3  ALA  20           HB3      ALA  20   3.322   8.018   6.790
  123    H    SER  21           H        SER  21   0.273   9.926   8.708
  124    HA   SER  21           HA       SER  21  -2.089  10.595   7.402
  125    HB2  SER  21           HB2      SER  21  -0.543  12.137   9.485
  126    HB3  SER  21           HB3      SER  21  -2.249  12.366   9.073
  127    HG   SER  21           HG       SER  21  -2.366   9.983   9.535
  128    H    GLY  22           H        GLY  22  -2.549  11.952   5.860
  129    HA2  GLY  22           HA2      GLY  22  -2.049  14.057   4.693
  130    HA3  GLY  22           HA3      GLY  22  -0.352  13.561   4.750
  131    H    THR  23           H        THR  23  -1.408  10.717   4.433
  132    HA   THR  23           HA       THR  23  -2.057  10.798   1.575
  133    HB   THR  23           HB       THR  23  -0.676   8.767   1.249
  134    HG1  THR  23           HG1      THR  23  -0.266   9.017   4.046
  135   HG21  THR  23          HG21      THR  23   1.554   9.736   1.542
  136   HG22  THR  23          HG22      THR  23   0.878  10.971   2.604
  137   HG23  THR  23          HG23      THR  23   0.418  10.923   0.902
  138    H    THR  24           H        THR  24  -3.452   9.035   0.928
  139    HA   THR  24           HA       THR  24  -4.715   7.648   3.200
  140    HB   THR  24           HB       THR  24  -6.844   7.746   1.822
  141    HG1  THR  24           HG1      THR  24  -5.116   9.239   0.194
  142   HG21  THR  24          HG21      THR  24  -6.515   9.228   3.750
  143   HG22  THR  24          HG22      THR  24  -7.378  10.072   2.463
  144   HG23  THR  24          HG23      THR  24  -5.660  10.378   2.725
  145    H    CYS  25           H        CYS  25  -5.303   5.465   2.845
  146    HA   CYS  25           HA       CYS  25  -3.813   4.162   0.788
  147    HB2  CYS  25           HB2      CYS  25  -4.125   3.064   2.941
  148    HB3  CYS  25           HB3      CYS  25  -5.874   3.053   2.723
  149    H    GLN  26           H        GLN  26  -4.415   4.075  -1.237
  150    HA   GLN  26           HA       GLN  26  -7.257   4.210  -1.886
  151    HB2  GLN  26           HB2      GLN  26  -4.806   4.728  -3.570
  152    HB3  GLN  26           HB3      GLN  26  -6.463   4.815  -4.149
  153    HG2  GLN  26           HG2      GLN  26  -5.292   6.530  -1.977
  154    HG3  GLN  26           HG3      GLN  26  -5.527   7.016  -3.653
  155   HE21  GLN  26          HE21      GLN  26  -6.626   8.041  -1.150
  156   HE22  GLN  26          HE22      GLN  26  -8.334   8.033  -1.375
  157    H    VAL  27           H        VAL  27  -8.133   2.331  -2.253
  158    HA   VAL  27           HA       VAL  27  -6.576   0.056  -3.038
  159    HB   VAL  27           HB       VAL  27  -9.604   0.363  -2.951
  160   HG11  VAL  27          HG11      VAL  27  -7.888  -2.120  -3.018
  161   HG12  VAL  27          HG12      VAL  27  -8.824  -1.489  -4.361
  162   HG13  VAL  27          HG13      VAL  27  -9.653  -2.088  -2.917
  163   HG21  VAL  27          HG21      VAL  27  -9.486  -0.793  -0.783
  164   HG22  VAL  27          HG22      VAL  27  -8.614   0.738  -0.742
  165   HG23  VAL  27          HG23      VAL  27  -7.725  -0.777  -0.874
  166    H    LEU  28           H        LEU  28  -5.774   0.148  -4.968
  167    HA   LEU  28           HA       LEU  28  -7.189   1.471  -7.137
  168    HB2  LEU  28           HB2      LEU  28  -4.454   0.195  -7.045
  169    HB3  LEU  28           HB3      LEU  28  -5.105   1.084  -8.405
  170    HG   LEU  28           HG       LEU  28  -4.516   2.278  -5.686
  171   HD11  LEU  28          HD11      LEU  28  -2.495   1.627  -6.826
  172   HD12  LEU  28          HD12      LEU  28  -2.659   3.385  -6.826
  173   HD13  LEU  28          HD13      LEU  28  -3.017   2.461  -8.289
  174   HD21  LEU  28          HD21      LEU  28  -5.286   3.533  -8.300
  175   HD22  LEU  28          HD22      LEU  28  -4.806   4.400  -6.840
  176   HD23  LEU  28          HD23      LEU  28  -6.303   3.450  -6.852
  177    H    ASN  29           H        ASN  29  -5.866  -1.675  -6.288
  178    HA   ASN  29           HA       ASN  29  -7.659  -2.947  -8.212
  179    HB2  ASN  29           HB2      ASN  29  -4.740  -3.742  -7.731
  180    HB3  ASN  29           HB3      ASN  29  -5.873  -4.615  -8.733
  181   HD21  ASN  29          HD21      ASN  29  -5.089  -1.169  -8.643
  182   HD22  ASN  29          HD22      ASN  29  -4.527  -1.050 -10.268
  183    HA   PRO  30           HA       PRO  30  -8.595  -5.556  -4.697
  184    HB2  PRO  30           HB2      PRO  30  -7.541  -8.014  -5.992
  185    HB3  PRO  30           HB3      PRO  30  -9.146  -7.700  -5.324
  186    HG2  PRO  30           HG2      PRO  30  -8.776  -7.775  -7.950
  187    HG3  PRO  30           HG3      PRO  30  -9.862  -6.582  -7.218
  188    HD2  PRO  30           HD2      PRO  30  -7.082  -6.233  -8.258
  189    HD3  PRO  30           HD3      PRO  30  -8.479  -5.146  -8.414
  190    H    TYR  31           H        TYR  31  -5.465  -6.482  -6.137
  191    HA   TYR  31           HA       TYR  31  -4.540  -7.107  -3.426
  192    HB2  TYR  31           HB2      TYR  31  -3.129  -7.714  -6.048
  193    HB3  TYR  31           HB3      TYR  31  -2.726  -8.326  -4.459
  194    HD1  TYR  31           HD1      TYR  31  -5.029  -8.668  -7.312
  195    HD2  TYR  31           HD2      TYR  31  -4.030 -10.133  -3.448
  196    HE1  TYR  31           HE1      TYR  31  -6.424 -10.640  -7.709
  197    HE2  TYR  31           HE2      TYR  31  -5.427 -12.109  -3.837
  198    HH   TYR  31           HH       TYR  31  -7.279 -12.744  -5.187
  199    H    TYR  32           H        TYR  32  -4.102  -4.881  -6.071
  200    HA   TYR  32           HA       TYR  32  -1.840  -3.725  -4.668
  201    HB2  TYR  32           HB2      TYR  32  -1.648  -4.018  -7.139
  202    HB3  TYR  32           HB3      TYR  32  -2.911  -2.805  -7.338
  203    HD1  TYR  32           HD1      TYR  32  -2.268  -0.555  -7.582
  204    HD2  TYR  32           HD2      TYR  32   0.342  -3.287  -5.627
  205    HE1  TYR  32           HE1      TYR  32  -0.578   1.217  -7.357
  206    HE2  TYR  32           HE2      TYR  32   2.040  -1.536  -5.406
  207    HH   TYR  32           HH       TYR  32   2.652   0.565  -6.485
  208    H    SER  33           H        SER  33  -2.159  -2.282  -3.161
  209    HA   SER  33           HA       SER  33  -4.182  -0.208  -3.574
  210    HB2  SER  33           HB2      SER  33  -3.325  -1.483  -0.952
  211    HB3  SER  33           HB3      SER  33  -4.536  -0.218  -1.136
  212    HG   SER  33           HG       SER  33  -5.272  -2.481  -0.935
  213    H    GLN  34           H        GLN  34  -3.365   1.897  -3.005
  214    HA   GLN  34           HA       GLN  34  -0.526   1.980  -2.246
  215    HB2  GLN  34           HB2      GLN  34  -0.462   2.041  -4.635
  216    HB3  GLN  34           HB3      GLN  34  -1.768   3.211  -4.702
  217    HG2  GLN  34           HG2      GLN  34  -0.328   4.913  -3.767
  218    HG3  GLN  34           HG3      GLN  34   0.966   3.729  -3.581
  219   HE21  GLN  34          HE21      GLN  34   2.187   3.186  -5.331
  220   HE22  GLN  34          HE22      GLN  34   2.041   3.927  -6.868
  221    H    CYS  35           H        CYS  35   0.012   3.656  -0.920
  222    HA   CYS  35           HA       CYS  35  -2.091   5.344   0.083
  223    HB2  CYS  35           HB2      CYS  35   0.875   5.669   0.654
  224    HB3  CYS  35           HB3      CYS  35  -0.489   6.340   1.518
  225    H    LEU  36           H        LEU  36  -2.776   7.042  -0.887
  226    HA   LEU  36           HA       LEU  36  -0.915   8.737  -2.345
  227    HB2  LEU  36           HB2      LEU  36  -3.754   8.003  -3.026
  228    HB3  LEU  36           HB3      LEU  36  -2.883   9.320  -3.787
  229    HG   LEU  36           HG       LEU  36  -2.009   6.432  -3.893
  230   HD11  LEU  36          HD11      LEU  36  -4.102   6.730  -5.084
  231   HD12  LEU  36          HD12      LEU  36  -2.768   6.496  -6.219
  232   HD13  LEU  36          HD13      LEU  36  -3.425   8.110  -5.942
  233   HD21  LEU  36          HD21      LEU  36  -0.517   7.243  -5.671
  234   HD22  LEU  36          HD22      LEU  36  -0.167   8.002  -4.125
  235   HD23  LEU  36          HD23      LEU  36  -1.057   8.893  -5.362
  236    H2   BGC 101           H2       BGC 101   8.362   3.512   0.467
  237    H3   BGC 101           H3       BGC 101   6.156   1.503   1.025
  238    H4   BGC 101           H4       BGC 101   9.112   1.659   1.671
  239    H5   BGC 101           H5       BGC 101   6.607   1.788   3.471
  240   H6C1  BGC 101           H61      BGC 101   9.574   2.146   4.040
  241   H6C2  BGC 101           H62      BGC 101   8.550   0.829   4.645
  242    H1   BGC 101           H1       BGC 101   5.746   3.611   1.974
  243    HB   BGC 101           HO2      BGC 101   6.694   4.610  -0.573
  244    HC   BGC 101           HO3      BGC 101   7.036   1.397  -1.121
  245    HD   BGC 101           HO4      BGC 101   8.711  -0.277   2.767
  246    H6   BGC 101           HO6      BGC 101   8.490   3.609   5.297
  Start of MODEL   15
    1    H1   THR   1           H1       THR   1   4.598   2.591  10.503
    2    H2   THR   1           H2       THR   1   5.779   2.817   9.316
    3    H3   THR   1           H3       THR   1   4.704   1.518   9.198
    4    HA   THR   1           HA       THR   1   2.885   3.014   8.878
    5    HB   THR   1           HB       THR   1   4.981   5.216   9.007
    6    HG1  THR   1           HG1      THR   1   2.994   5.095  10.915
    7   HG21  THR   1          HG21      THR   1   2.983   5.721   7.638
    8   HG22  THR   1          HG22      THR   1   3.014   6.694   9.105
    9   HG23  THR   1          HG23      THR   1   1.952   5.291   9.000
   10    H    GLN   2           H        GLN   2   2.330   3.406   6.698
   11    HA   GLN   2           HA       GLN   2   4.394   2.607   4.830
   12    HB2  GLN   2           HB2      GLN   2   2.145   1.463   4.947
   13    HB3  GLN   2           HB3      GLN   2   1.439   2.950   4.380
   14    HG2  GLN   2           HG2      GLN   2   1.697   1.243   2.599
   15    HG3  GLN   2           HG3      GLN   2   2.509   2.763   2.255
   16   HE21  GLN   2          HE21      GLN   2   2.889  -0.157   1.442
   17   HE22  GLN   2          HE22      GLN   2   4.571  -0.432   1.657
   18    H    SER   3           H        SER   3   5.445   4.005   3.718
   19    HA   SER   3           HA       SER   3   4.975   6.728   3.670
   20    HB2  SER   3           HB2      SER   3   6.801   6.860   2.072
   21    HB3  SER   3           HB3      SER   3   7.198   5.764   3.379
   22    H    HIS   4           H        HIS   4   4.684   8.124   1.848
   23    HA   HIS   4           HA       HIS   4   2.320   7.711   0.406
   24    HB2  HIS   4           HB2      HIS   4   3.416   9.929   0.992
   25    HB3  HIS   4           HB3      HIS   4   4.558   9.631  -0.309
   26    HD1  HIS   4           HD1      HIS   4   3.658  11.865  -1.435
   27    HD2  HIS   4           HD2      HIS   4   0.836   8.844  -1.080
   28    HE1  HIS   4           HE1      HIS   4   1.712  12.605  -2.792
   29    HE2  HIS   4           HE2      HIS   4  -0.076  10.981  -2.137
   30    H    TYR   5           H        TYR   5   1.898   6.717  -1.464
   31    HA   TYR   5           HA       TYR   5   2.043   5.694  -3.375
   32    HB2  TYR   5           HB2      TYR   5   4.892   6.697  -3.548
   33    HB3  TYR   5           HB3      TYR   5   4.181   5.660  -4.781
   34    HD1  TYR   5           HD1      TYR   5   2.065   6.483  -5.941
   35    HD2  TYR   5           HD2      TYR   5   4.547   9.023  -3.615
   36    HE1  TYR   5           HE1      TYR   5   1.072   8.444  -7.037
   37    HE2  TYR   5           HE2      TYR   5   3.564  10.993  -4.703
   38    HH   TYR   5           HH       TYR   5   2.396  11.516  -6.833
   39    H    GLY   6           H        GLY   6   3.118   4.631  -0.665
   40    HA2  GLY   6           HA2      GLY   6   4.366   2.204  -1.606
   41    HA3  GLY   6           HA3      GLY   6   3.950   2.607   0.056
   42    H    GLN   7           H        GLN   7   3.429   0.139  -1.439
   43    HA   GLN   7           HA       GLN   7   0.642   0.017  -1.987
   44    HB2  GLN   7           HB2      GLN   7   2.416  -1.620  -2.828
   45    HB3  GLN   7           HB3      GLN   7   2.422  -2.319  -1.210
   46    HG2  GLN   7           HG2      GLN   7   0.003  -2.827  -1.484
   47    HG3  GLN   7           HG3      GLN   7   0.100  -2.217  -3.132
   48   HE21  GLN   7          HE21      GLN   7  -0.694  -4.869  -2.418
   49   HE22  GLN   7          HE22      GLN   7   0.479  -5.938  -3.040
   50    H    CYS   8           H        CYS   8  -0.810   0.378  -0.449
   51    HA   CYS   8           HA       CYS   8  -0.114   0.082   2.345
   52    HB2  CYS   8           HB2      CYS   8  -2.314   1.131   2.775
   53    HB3  CYS   8           HB3      CYS   8  -1.256   2.082   1.743
   54    H    GLY   9           H        GLY   9  -1.049  -2.132   0.326
   55    HA2  GLY   9           HA2      GLY   9  -1.391  -4.305   1.305
   56    HA3  GLY   9           HA3      GLY   9  -2.398  -3.540   2.520
   57    H    GLY  10           H        GLY  10  -2.222  -5.046  -0.477
   58    HA2  GLY  10           HA2      GLY  10  -5.103  -4.758  -0.914
   59    HA3  GLY  10           HA3      GLY  10  -3.910  -5.466  -2.015
   60    H    ILE  11           H        ILE  11  -5.623  -7.249  -1.916
   61    HA   ILE  11           HA       ILE  11  -5.779  -8.870   0.379
   62    HB   ILE  11           HB       ILE  11  -6.108  -9.602  -2.548
   63   HG12  ILE  11          HG12      ILE  11  -8.170  -9.029  -0.405
   64   HG13  ILE  11          HG13      ILE  11  -7.696  -7.936  -1.701
   65   HG21  ILE  11          HG21      ILE  11  -6.857 -11.217  -0.110
   66   HG22  ILE  11          HG22      ILE  11  -5.571 -11.576  -1.265
   67   HG23  ILE  11          HG23      ILE  11  -7.257 -11.622  -1.786
   68   HD11  ILE  11          HD11      ILE  11  -8.573  -9.508  -3.349
   69   HD12  ILE  11          HD12      ILE  11  -9.805  -9.032  -2.180
   70   HD13  ILE  11          HD13      ILE  11  -9.032 -10.613  -2.053
   71    H    GLY  12           H        GLY  12  -4.147  -9.862   1.349
   72    HA2  GLY  12           HA2      GLY  12  -2.598 -11.722   1.263
   73    HA3  GLY  12           HA3      GLY  12  -2.155 -11.192  -0.352
   74    H    TYR  13           H        TYR  13  -2.247  -8.366   0.710
   75    HA   TYR  13           HA       TYR  13   0.508  -8.406   1.722
   76    HB2  TYR  13           HB2      TYR  13  -0.019  -7.119  -0.382
   77    HB3  TYR  13           HB3      TYR  13  -1.071  -6.082   0.563
   78    HD1  TYR  13           HD1      TYR  13   2.231  -6.609  -0.641
   79    HD2  TYR  13           HD2      TYR  13   0.086  -4.766   2.541
   80    HE1  TYR  13           HE1      TYR  13   4.174  -5.184  -0.142
   81    HE2  TYR  13           HE2      TYR  13   2.014  -3.347   3.031
   82    HH   TYR  13           HH       TYR  13   4.716  -3.062   0.960
   83    H    SER  14           H        SER  14   0.452  -8.473   3.882
   84    HA   SER  14           HA       SER  14  -1.549  -6.839   5.253
   85    HB2  SER  14           HB2      SER  14  -0.225  -9.347   6.062
   86    HB3  SER  14           HB3      SER  14  -1.402  -8.477   7.053
   87    HG   SER  14           HG       SER  14  -2.524  -8.791   4.706
   88    H    GLY  15           H        GLY  15   1.440  -6.366   4.411
   89    HA2  GLY  15           HA2      GLY  15   2.767  -6.027   6.935
   90    HA3  GLY  15           HA3      GLY  15   3.342  -5.502   5.368
   91    HA   PRO  16           HA       PRO  16   2.456  -1.514   7.199
   92    HB2  PRO  16           HB2      PRO  16   3.410  -0.051   5.053
   93    HB3  PRO  16           HB3      PRO  16   4.420  -0.668   6.361
   94    HG2  PRO  16           HG2      PRO  16   3.957  -1.771   3.635
   95    HG3  PRO  16           HG3      PRO  16   5.451  -1.710   4.574
   96    HD2  PRO  16           HD2      PRO  16   3.972  -3.957   4.331
   97    HD3  PRO  16           HD3      PRO  16   4.914  -3.589   5.790
   98    H    THR  17           H        THR  17   0.337  -1.389   7.204
   99    HA   THR  17           HA       THR  17  -1.091  -0.969   4.702
  100    HB   THR  17           HB       THR  17  -3.094  -1.756   6.143
  101    HG1  THR  17           HG1      THR  17  -1.020  -2.975   7.632
  102   HG21  THR  17          HG21      THR  17  -2.543  -4.126   5.750
  103   HG22  THR  17          HG22      THR  17  -0.849  -3.687   5.498
  104   HG23  THR  17          HG23      THR  17  -2.076  -3.120   4.376
  105    H    VAL  18           H        VAL  18  -0.286   0.457   7.722
  106    HA   VAL  18           HA       VAL  18  -2.403   2.446   7.579
  107    HB   VAL  18           HB       VAL  18  -0.087   2.219   9.536
  108   HG11  VAL  18          HG11      VAL  18  -1.373   3.784  10.938
  109   HG12  VAL  18          HG12      VAL  18  -2.561   3.940   9.642
  110   HG13  VAL  18          HG13      VAL  18  -0.907   4.500   9.396
  111   HG21  VAL  18          HG21      VAL  18  -1.593   0.317   9.733
  112   HG22  VAL  18          HG22      VAL  18  -2.972   1.408   9.855
  113   HG23  VAL  18          HG23      VAL  18  -1.760   1.382  11.132
  114    H    CYS  19           H        CYS  19  -2.139   4.097   6.300
  115    HA   CYS  19           HA       CYS  19   0.399   4.741   5.146
  116    HB2  CYS  19           HB2      CYS  19  -2.275   6.092   4.829
  117    HB3  CYS  19           HB3      CYS  19  -0.854   6.335   3.818
  118    H    ALA  20           H        ALA  20   1.388   6.770   5.148
  119    HA   ALA  20           HA       ALA  20   1.669   7.983   7.673
  120    HB1  ALA  20           HB1      ALA  20   2.618   8.965   4.985
  121    HB2  ALA  20           HB2      ALA  20   3.481   7.836   6.030
  122    HB3  ALA  20           HB3      ALA  20   3.213   9.497   6.557
  123    H    SER  21           H        SER  21   1.572  10.349   7.976
  124    HA   SER  21           HA       SER  21  -1.061  11.270   7.868
  125    HB2  SER  21           HB2      SER  21   1.483  12.834   8.322
  126    HB3  SER  21           HB3      SER  21  -0.140  13.362   8.764
  127    HG   SER  21           HG       SER  21   1.236  11.078   9.763
  128    H    GLY  22           H        GLY  22  -2.165  12.060   6.202
  129    HA2  GLY  22           HA2      GLY  22  -2.482  13.788   4.606
  130    HA3  GLY  22           HA3      GLY  22  -0.761  13.728   4.239
  131    H    THR  23           H        THR  23  -1.517  10.609   4.513
  132    HA   THR  23           HA       THR  23  -2.277  10.451   1.694
  133    HB   THR  23           HB       THR  23  -0.910   8.439   1.439
  134    HG1  THR  23           HG1      THR  23  -0.430   8.859   4.214
  135   HG21  THR  23          HG21      THR  23   0.611  10.699   2.697
  136   HG22  THR  23          HG22      THR  23   0.140  10.577   1.001
  137   HG23  THR  23          HG23      THR  23   1.307   9.437   1.684
  138    H    THR  24           H        THR  24  -3.563   8.736   1.070
  139    HA   THR  24           HA       THR  24  -4.984   7.415   3.253
  140    HB   THR  24           HB       THR  24  -7.012   7.640   1.746
  141    HG1  THR  24           HG1      THR  24  -5.116   9.067   0.222
  142   HG21  THR  24          HG21      THR  24  -5.748  10.171   2.815
  143   HG22  THR  24          HG22      THR  24  -6.723   9.031   3.744
  144   HG23  THR  24          HG23      THR  24  -7.456   9.966   2.444
  145    H    CYS  25           H        CYS  25  -5.495   5.289   2.900
  146    HA   CYS  25           HA       CYS  25  -3.986   3.933   0.892
  147    HB2  CYS  25           HB2      CYS  25  -4.279   2.949   3.127
  148    HB3  CYS  25           HB3      CYS  25  -6.017   2.870   2.863
  149    H    GLN  26           H        GLN  26  -4.646   4.024  -1.130
  150    HA   GLN  26           HA       GLN  26  -7.504   3.825  -1.689
  151    HB2  GLN  26           HB2      GLN  26  -5.215   4.690  -3.456
  152    HB3  GLN  26           HB3      GLN  26  -6.915   4.688  -3.903
  153    HG2  GLN  26           HG2      GLN  26  -5.653   6.341  -1.735
  154    HG3  GLN  26           HG3      GLN  26  -6.156   6.929  -3.315
  155   HE21  GLN  26          HE21      GLN  26  -6.987   7.728  -0.668
  156   HE22  GLN  26          HE22      GLN  26  -8.709   7.543  -0.641
  157    H    VAL  27           H        VAL  27  -8.131   1.815  -2.084
  158    HA   VAL  27           HA       VAL  27  -6.324  -0.201  -2.995
  159    HB   VAL  27           HB       VAL  27  -9.365  -0.251  -2.837
  160   HG11  VAL  27          HG11      VAL  27  -8.490  -2.003  -4.288
  161   HG12  VAL  27          HG12      VAL  27  -9.135  -2.689  -2.794
  162   HG13  VAL  27          HG13      VAL  27  -7.393  -2.530  -3.010
  163   HG21  VAL  27          HG21      VAL  27  -8.390   0.201  -0.657
  164   HG22  VAL  27          HG22      VAL  27  -7.308  -1.175  -0.834
  165   HG23  VAL  27          HG23      VAL  27  -9.050  -1.435  -0.704
  166    H    LEU  28           H        LEU  28  -5.521   0.164  -4.941
  167    HA   LEU  28           HA       LEU  28  -7.010   1.432  -7.063
  168    HB2  LEU  28           HB2      LEU  28  -4.227   0.296  -6.926
  169    HB3  LEU  28           HB3      LEU  28  -4.863   1.124  -8.326
  170    HG   LEU  28           HG       LEU  28  -4.479   2.376  -5.595
  171   HD11  LEU  28          HD11      LEU  28  -2.668   3.612  -6.680
  172   HD12  LEU  28          HD12      LEU  28  -2.905   2.667  -8.150
  173   HD13  LEU  28          HD13      LEU  28  -2.361   1.879  -6.668
  174   HD21  LEU  28          HD21      LEU  28  -5.226   3.548  -8.246
  175   HD22  LEU  28          HD22      LEU  28  -4.916   4.463  -6.765
  176   HD23  LEU  28          HD23      LEU  28  -6.316   3.378  -6.862
  177    H    ASN  29           H        ASN  29  -5.892  -1.738  -6.229
  178    HA   ASN  29           HA       ASN  29  -7.540  -2.962  -8.279
  179    HB2  ASN  29           HB2      ASN  29  -4.608  -3.655  -7.793
  180    HB3  ASN  29           HB3      ASN  29  -5.704  -4.533  -8.832
  181   HD21  ASN  29          HD21      ASN  29  -3.795  -1.684  -8.480
  182   HD22  ASN  29          HD22      ASN  29  -3.828  -1.183 -10.127
  183    HA   PRO  30           HA       PRO  30  -8.542  -5.648  -4.884
  184    HB2  PRO  30           HB2      PRO  30  -7.440  -8.007  -6.345
  185    HB3  PRO  30           HB3      PRO  30  -9.023  -7.792  -5.588
  186    HG2  PRO  30           HG2      PRO  30  -8.812  -7.645  -8.211
  187    HG3  PRO  30           HG3      PRO  30  -9.829  -6.486  -7.335
  188    HD2  PRO  30           HD2      PRO  30  -7.092  -6.099  -8.488
  189    HD3  PRO  30           HD3      PRO  30  -8.484  -4.994  -8.492
  190    H    TYR  31           H        TYR  31  -5.302  -6.283  -6.225
  191    HA   TYR  31           HA       TYR  31  -4.486  -7.062  -3.508
  192    HB2  TYR  31           HB2      TYR  31  -3.010  -7.532  -6.105
  193    HB3  TYR  31           HB3      TYR  31  -2.594  -8.168  -4.521
  194    HD1  TYR  31           HD1      TYR  31  -4.001  -9.931  -3.500
  195    HD2  TYR  31           HD2      TYR  31  -4.709  -8.565  -7.449
  196    HE1  TYR  31           HE1      TYR  31  -5.377 -11.904  -3.930
  197    HE2  TYR  31           HE2      TYR  31  -6.092 -10.538  -7.889
  198    HH   TYR  31           HH       TYR  31  -7.140 -12.565  -5.386
  199    H    TYR  32           H        TYR  32  -4.003  -4.772  -6.081
  200    HA   TYR  32           HA       TYR  32  -1.745  -3.625  -4.667
  201    HB2  TYR  32           HB2      TYR  32  -1.598  -3.915  -7.123
  202    HB3  TYR  32           HB3      TYR  32  -2.917  -2.769  -7.308
  203    HD1  TYR  32           HD1      TYR  32  -2.317  -0.598  -7.877
  204    HD2  TYR  32           HD2      TYR  32   0.363  -2.960  -5.547
  205    HE1  TYR  32           HE1      TYR  32  -0.683   1.205  -7.930
  206    HE2  TYR  32           HE2      TYR  32   2.001  -1.138  -5.578
  207    HH   TYR  32           HH       TYR  32   2.541   0.741  -6.994
  208    H    SER  33           H        SER  33  -2.152  -2.241  -3.124
  209    HA   SER  33           HA       SER  33  -4.214  -0.207  -3.541
  210    HB2  SER  33           HB2      SER  33  -3.324  -1.429  -0.909
  211    HB3  SER  33           HB3      SER  33  -4.601  -0.237  -1.130
  212    HG   SER  33           HG       SER  33  -5.183  -2.555  -0.909
  213    H    GLN  34           H        GLN  34  -3.473   1.912  -2.911
  214    HA   GLN  34           HA       GLN  34  -0.673   2.032  -2.109
  215    HB2  GLN  34           HB2      GLN  34  -0.445   2.117  -4.440
  216    HB3  GLN  34           HB3      GLN  34  -1.840   3.163  -4.626
  217    HG2  GLN  34           HG2      GLN  34  -0.659   5.033  -3.850
  218    HG3  GLN  34           HG3      GLN  34   0.694   4.043  -3.277
  219   HE21  GLN  34          HE21      GLN  34   2.193   3.322  -4.768
  220   HE22  GLN  34          HE22      GLN  34   2.250   3.901  -6.377
  221    H    CYS  35           H        CYS  35  -0.128   3.682  -0.818
  222    HA   CYS  35           HA       CYS  35  -2.242   5.302   0.248
  223    HB2  CYS  35           HB2      CYS  35   0.727   5.606   0.771
  224    HB3  CYS  35           HB3      CYS  35  -0.626   6.265   1.682
  225    H    LEU  36           H        LEU  36  -2.984   6.853  -0.918
  226    HA   LEU  36           HA       LEU  36  -1.147   8.572  -2.375
  227    HB2  LEU  36           HB2      LEU  36  -4.089   8.024  -2.784
  228    HB3  LEU  36           HB3      LEU  36  -3.178   9.239  -3.660
  229    HG   LEU  36           HG       LEU  36  -2.588   6.278  -3.757
  230   HD11  LEU  36          HD11      LEU  36  -3.501   6.353  -5.994
  231   HD12  LEU  36          HD12      LEU  36  -3.966   8.045  -5.767
  232   HD13  LEU  36          HD13      LEU  36  -4.727   6.773  -4.798
  233   HD21  LEU  36          HD21      LEU  36  -1.183   6.902  -5.669
  234   HD22  LEU  36          HD22      LEU  36  -0.625   7.628  -4.171
  235   HD23  LEU  36          HD23      LEU  36  -1.510   8.602  -5.348
  236    H2   BGC 101           H2       BGC 101   8.344   2.817   0.695
  237    H3   BGC 101           H3       BGC 101   6.020   1.065   1.560
  238    H4   BGC 101           H4       BGC 101   8.990   1.091   2.232
  239    H5   BGC 101           H5       BGC 101   6.474   1.705   3.895
  240   H6C1  BGC 101           H61      BGC 101   9.441   2.024   4.474
  241   H6C2  BGC 101           H62      BGC 101   8.360   0.859   5.259
  242    H1   BGC 101           H1       BGC 101   5.737   3.309   2.145
  243    HB   BGC 101           HO2      BGC 101   6.693   3.782  -0.579
  244    HC   BGC 101           HO3      BGC 101   6.792   0.546  -0.503
  245    HD   BGC 101           HO4      BGC 101   7.940  -1.004   2.207
  246    H6   BGC 101           HO6      BGC 101   7.320   2.455   6.302
  Start of MODEL   16
    1    H1   THR   1           H1       THR   1   4.359   1.515   9.328
    2    H2   THR   1           H2       THR   1   4.302   2.724  10.548
    3    H3   THR   1           H3       THR   1   5.423   2.819   9.304
    4    HA   THR   1           HA       THR   1   2.545   2.970   8.885
    5    HB   THR   1           HB       THR   1   4.597   5.205   8.957
    6    HG1  THR   1           HG1      THR   1   3.259   5.643  10.980
    7   HG21  THR   1          HG21      THR   1   2.605   6.625   9.089
    8   HG22  THR   1          HG22      THR   1   1.575   5.197   9.044
    9   HG23  THR   1          HG23      THR   1   2.558   5.621   7.642
   10    H    GLN   2           H        GLN   2   2.054   3.428   6.670
   11    HA   GLN   2           HA       GLN   2   4.205   2.699   4.873
   12    HB2  GLN   2           HB2      GLN   2   2.050   1.432   4.877
   13    HB3  GLN   2           HB3      GLN   2   1.252   2.883   4.308
   14    HG2  GLN   2           HG2      GLN   2   1.701   1.254   2.509
   15    HG3  GLN   2           HG3      GLN   2   2.467   2.810   2.237
   16   HE21  GLN   2          HE21      GLN   2   3.031  -0.060   1.406
   17   HE22  GLN   2          HE22      GLN   2   4.698  -0.275   1.728
   18    H    SER   3           H        SER   3   5.205   4.164   3.827
   19    HA   SER   3           HA       SER   3   4.512   6.872   3.849
   20    HB2  SER   3           HB2      SER   3   6.523   7.226   2.596
   21    HB3  SER   3           HB3      SER   3   6.835   5.991   3.799
   22    H    HIS   4           H        HIS   4   4.855   8.083   1.601
   23    HA   HIS   4           HA       HIS   4   2.409   7.728   0.223
   24    HB2  HIS   4           HB2      HIS   4   3.775   9.891   0.676
   25    HB3  HIS   4           HB3      HIS   4   4.733   9.408  -0.713
   26    HD1  HIS   4           HD1      HIS   4   3.883  11.708  -1.807
   27    HD2  HIS   4           HD2      HIS   4   0.951   8.855  -1.100
   28    HE1  HIS   4           HE1      HIS   4   1.852  12.520  -2.987
   29    HE2  HIS   4           HE2      HIS   4   0.055  11.006  -2.130
   30    H    TYR   5           H        TYR   5   2.002   6.688  -1.645
   31    HA   TYR   5           HA       TYR   5   2.173   5.598  -3.552
   32    HB2  TYR   5           HB2      TYR   5   5.134   6.212  -3.533
   33    HB3  TYR   5           HB3      TYR   5   4.309   5.368  -4.838
   34    HD1  TYR   5           HD1      TYR   5   5.157   8.531  -3.427
   35    HD2  TYR   5           HD2      TYR   5   2.456   6.593  -6.064
   36    HE1  TYR   5           HE1      TYR   5   4.596  10.681  -4.411
   37    HE2  TYR   5           HE2      TYR   5   1.879   8.761  -7.074
   38    HH   TYR   5           HH       TYR   5   3.710  11.576  -6.395
   39    H    GLY   6           H        GLY   6   3.296   4.570  -0.732
   40    HA2  GLY   6           HA2      GLY   6   4.323   2.034  -1.616
   41    HA3  GLY   6           HA3      GLY   6   3.959   2.506   0.040
   42    H    GLN   7           H        GLN   7   3.272   0.041  -1.409
   43    HA   GLN   7           HA       GLN   7   0.421   0.135  -1.737
   44    HB2  GLN   7           HB2      GLN   7   1.912  -1.467  -2.987
   45    HB3  GLN   7           HB3      GLN   7   2.286  -2.244  -1.460
   46    HG2  GLN   7           HG2      GLN   7  -0.080  -2.882  -1.210
   47    HG3  GLN   7           HG3      GLN   7  -0.437  -2.080  -2.729
   48   HE21  GLN   7          HE21      GLN   7  -0.787  -4.903  -2.086
   49   HE22  GLN   7          HE22      GLN   7   0.157  -5.759  -3.237
   50    H    CYS   8           H        CYS   8  -0.853   0.272   0.012
   51    HA   CYS   8           HA       CYS   8   0.265  -0.111   2.621
   52    HB2  CYS   8           HB2      CYS   8  -1.816   0.614   3.531
   53    HB3  CYS   8           HB3      CYS   8  -1.568   1.577   2.084
   54    H    GLY   9           H        GLY   9  -2.000  -1.902   0.614
   55    HA2  GLY   9           HA2      GLY   9  -1.305  -4.351   1.300
   56    HA3  GLY   9           HA3      GLY   9  -2.246  -3.873   2.702
   57    H    GLY  10           H        GLY  10  -2.289  -5.131  -0.353
   58    HA2  GLY  10           HA2      GLY  10  -5.188  -4.885  -0.620
   59    HA3  GLY  10           HA3      GLY  10  -4.063  -5.507  -1.824
   60    H    ILE  11           H        ILE  11  -5.584  -7.332  -1.837
   61    HA   ILE  11           HA       ILE  11  -5.884  -9.134   0.271
   62    HB   ILE  11           HB       ILE  11  -5.677  -9.735  -2.692
   63   HG12  ILE  11          HG12      ILE  11  -8.122  -9.297  -0.975
   64   HG13  ILE  11          HG13      ILE  11  -7.455  -8.107  -2.092
   65   HG21  ILE  11          HG21      ILE  11  -5.361 -11.737  -1.399
   66   HG22  ILE  11          HG22      ILE  11  -6.940 -11.769  -2.187
   67   HG23  ILE  11          HG23      ILE  11  -6.819 -11.406  -0.457
   68   HD11  ILE  11          HD11      ILE  11  -7.918  -9.615  -3.953
   69   HD12  ILE  11          HD12      ILE  11  -9.379  -9.251  -3.036
   70   HD13  ILE  11          HD13      ILE  11  -8.571 -10.806  -2.829
   71    H    GLY  12           H        GLY  12  -4.203  -9.990   1.446
   72    HA2  GLY  12           HA2      GLY  12  -2.659 -11.762   1.646
   73    HA3  GLY  12           HA3      GLY  12  -2.278 -11.597  -0.057
   74    H    TYR  13           H        TYR  13  -2.308  -8.582   1.267
   75    HA   TYR  13           HA       TYR  13   0.610  -8.635   1.518
   76    HB2  TYR  13           HB2      TYR  13  -0.414  -7.048  -0.128
   77    HB3  TYR  13           HB3      TYR  13  -1.266  -6.280   1.200
   78    HD1  TYR  13           HD1      TYR  13   1.791  -6.416  -0.700
   79    HD2  TYR  13           HD2      TYR  13   0.130  -5.088   2.971
   80    HE1  TYR  13           HE1      TYR  13   3.695  -4.887  -0.396
   81    HE2  TYR  13           HE2      TYR  13   1.983  -3.573   3.301
   82    HH   TYR  13           HH       TYR  13   4.469  -3.538   2.474
   83    H    SER  14           H        SER  14   1.345  -8.770   3.524
   84    HA   SER  14           HA       SER  14  -0.369  -7.941   5.743
   85    HB2  SER  14           HB2      SER  14   1.182  -9.563   6.971
   86    HB3  SER  14           HB3      SER  14   0.020 -10.248   5.829
   87    HG   SER  14           HG       SER  14   1.798 -11.192   5.246
   88    H    GLY  15           H        GLY  15   1.540  -6.191   4.240
   89    HA2  GLY  15           HA2      GLY  15   3.679  -5.730   6.178
   90    HA3  GLY  15           HA3      GLY  15   3.526  -4.961   4.604
   91    HA   PRO  16           HA       PRO  16   2.253  -1.786   7.702
   92    HB2  PRO  16           HB2      PRO  16   3.250   0.348   6.291
   93    HB3  PRO  16           HB3      PRO  16   4.204  -0.587   7.441
   94    HG2  PRO  16           HG2      PRO  16   4.168  -0.737   4.455
   95    HG3  PRO  16           HG3      PRO  16   5.523  -0.903   5.575
   96    HD2  PRO  16           HD2      PRO  16   4.282  -3.014   4.374
   97    HD3  PRO  16           HD3      PRO  16   5.115  -3.124   5.934
   98    H    THR  17           H        THR  17   0.109  -1.623   7.501
   99    HA   THR  17           HA       THR  17  -1.046  -1.049   4.909
  100    HB   THR  17           HB       THR  17  -3.194  -1.730   6.083
  101    HG1  THR  17           HG1      THR  17  -2.203  -3.226   7.938
  102   HG21  THR  17          HG21      THR  17  -0.930  -3.745   5.989
  103   HG22  THR  17          HG22      THR  17  -1.901  -3.250   4.629
  104   HG23  THR  17          HG23      THR  17  -2.653  -4.140   5.961
  105    H    VAL  18           H        VAL  18  -0.662   0.419   8.022
  106    HA   VAL  18           HA       VAL  18  -2.657   2.442   7.456
  107    HB   VAL  18           HB       VAL  18  -0.631   2.334   9.724
  108   HG11  VAL  18          HG11      VAL  18  -1.358   4.623   9.288
  109   HG12  VAL  18          HG12      VAL  18  -2.027   4.040  10.811
  110   HG13  VAL  18          HG13      VAL  18  -3.048   4.114   9.375
  111   HG21  VAL  18          HG21      VAL  18  -2.226   0.493   9.832
  112   HG22  VAL  18          HG22      VAL  18  -3.565   1.631   9.684
  113   HG23  VAL  18          HG23      VAL  18  -2.539   1.665  11.116
  114    H    CYS  19           H        CYS  19  -2.309   4.178   6.310
  115    HA   CYS  19           HA       CYS  19   0.314   4.663   5.241
  116    HB2  CYS  19           HB2      CYS  19  -2.253   6.192   4.796
  117    HB3  CYS  19           HB3      CYS  19  -0.792   6.276   3.823
  118    H    ALA  20           H        ALA  20   1.208   6.827   5.195
  119    HA   ALA  20           HA       ALA  20   1.421   7.899   7.815
  120    HB1  ALA  20           HB1      ALA  20   3.006   9.466   6.835
  121    HB2  ALA  20           HB2      ALA  20   2.507   8.974   5.216
  122    HB3  ALA  20           HB3      ALA  20   3.324   7.822   6.276
  123    H    SER  21           H        SER  21   1.176  10.203   8.317
  124    HA   SER  21           HA       SER  21  -1.385  11.129   7.874
  125    HB2  SER  21           HB2      SER  21  -0.362  13.239   8.910
  126    HB3  SER  21           HB3      SER  21  -0.246  11.753   9.856
  127    HG   SER  21           HG       SER  21   1.752  12.961   8.255
  128    H    GLY  22           H        GLY  22  -2.220  12.175   6.195
  129    HA2  GLY  22           HA2      GLY  22  -2.193  13.899   4.571
  130    HA3  GLY  22           HA3      GLY  22  -0.447  13.729   4.463
  131    H    THR  23           H        THR  23  -1.664  10.650   4.556
  132    HA   THR  23           HA       THR  23  -2.102  10.578   1.667
  133    HB   THR  23           HB       THR  23  -0.778   8.499   1.473
  134    HG1  THR  23           HG1      THR  23  -0.506   8.895   4.232
  135   HG21  THR  23          HG21      THR  23   0.796  10.785   2.658
  136   HG22  THR  23          HG22      THR  23   0.333  10.608   0.965
  137   HG23  THR  23          HG23      THR  23   1.469   9.471   1.693
  138    H    THR  24           H        THR  24  -3.489   8.995   0.944
  139    HA   THR  24           HA       THR  24  -4.889   7.469   3.023
  140    HB   THR  24           HB       THR  24  -6.940   7.770   1.544
  141    HG1  THR  24           HG1      THR  24  -5.083   9.321   0.143
  142   HG21  THR  24          HG21      THR  24  -7.463  10.023   2.407
  143   HG22  THR  24          HG22      THR  24  -5.758  10.260   2.799
  144   HG23  THR  24          HG23      THR  24  -6.694   9.025   3.640
  145    H    CYS  25           H        CYS  25  -5.116   5.300   2.533
  146    HA   CYS  25           HA       CYS  25  -3.775   4.371   0.163
  147    HB2  CYS  25           HB2      CYS  25  -3.653   3.085   2.322
  148    HB3  CYS  25           HB3      CYS  25  -5.358   2.688   2.096
  149    H    GLN  26           H        GLN  26  -4.569   4.323  -1.701
  150    HA   GLN  26           HA       GLN  26  -7.439   4.134  -2.046
  151    HB2  GLN  26           HB2      GLN  26  -5.246   4.904  -3.967
  152    HB3  GLN  26           HB3      GLN  26  -6.975   4.980  -4.288
  153    HG2  GLN  26           HG2      GLN  26  -5.513   6.548  -2.183
  154    HG3  GLN  26           HG3      GLN  26  -6.061   7.180  -3.731
  155   HE21  GLN  26          HE21      GLN  26  -6.737   7.927  -0.970
  156   HE22  GLN  26          HE22      GLN  26  -8.456   7.790  -0.858
  157    H    VAL  27           H        VAL  27  -8.243   2.290  -2.628
  158    HA   VAL  27           HA       VAL  27  -6.589   0.072  -3.365
  159    HB   VAL  27           HB       VAL  27  -9.618   0.304  -3.323
  160   HG11  VAL  27          HG11      VAL  27  -9.607  -2.153  -3.253
  161   HG12  VAL  27          HG12      VAL  27  -7.845  -2.135  -3.374
  162   HG13  VAL  27          HG13      VAL  27  -8.816  -1.546  -4.712
  163   HG21  VAL  27          HG21      VAL  27  -9.508  -0.824  -1.155
  164   HG22  VAL  27          HG22      VAL  27  -8.646   0.718  -1.117
  165   HG23  VAL  27          HG23      VAL  27  -7.747  -0.794  -1.228
  166    H    LEU  28           H        LEU  28  -5.718   0.291  -5.270
  167    HA   LEU  28           HA       LEU  28  -7.160   1.468  -7.497
  168    HB2  LEU  28           HB2      LEU  28  -4.373   0.318  -7.342
  169    HB3  LEU  28           HB3      LEU  28  -5.026   1.200  -8.708
  170    HG   LEU  28           HG       LEU  28  -4.554   2.368  -5.953
  171   HD11  LEU  28          HD11      LEU  28  -2.753   3.621  -7.029
  172   HD12  LEU  28          HD12      LEU  28  -3.012   2.698  -8.515
  173   HD13  LEU  28          HD13      LEU  28  -2.473   1.882  -7.042
  174   HD21  LEU  28          HD21      LEU  28  -4.971   4.504  -7.029
  175   HD22  LEU  28          HD22      LEU  28  -6.394   3.455  -7.139
  176   HD23  LEU  28          HD23      LEU  28  -5.328   3.673  -8.539
  177    H    ASN  29           H        ASN  29  -5.857  -1.607  -6.476
  178    HA   ASN  29           HA       ASN  29  -7.554  -3.008  -8.417
  179    HB2  ASN  29           HB2      ASN  29  -4.688  -3.855  -7.689
  180    HB3  ASN  29           HB3      ASN  29  -5.806  -4.763  -8.667
  181   HD21  ASN  29          HD21      ASN  29  -5.186  -1.316  -9.020
  182   HD22  ASN  29          HD22      ASN  29  -4.418  -1.415 -10.559
  183    HA   PRO  30           HA       PRO  30  -8.764  -5.180  -4.710
  184    HB2  PRO  30           HB2      PRO  30  -7.993  -7.792  -5.926
  185    HB3  PRO  30           HB3      PRO  30  -9.534  -7.296  -5.221
  186    HG2  PRO  30           HG2      PRO  30  -9.289  -7.479  -7.846
  187    HG3  PRO  30           HG3      PRO  30 -10.178  -6.124  -7.125
  188    HD2  PRO  30           HD2      PRO  30  -7.401  -6.194  -8.234
  189    HD3  PRO  30           HD3      PRO  30  -8.641  -4.944  -8.441
  190    H    TYR  31           H        TYR  31  -5.736  -6.286  -6.130
  191    HA   TYR  31           HA       TYR  31  -4.731  -6.969  -3.450
  192    HB2  TYR  31           HB2      TYR  31  -3.594  -7.431  -6.212
  193    HB3  TYR  31           HB3      TYR  31  -2.725  -7.801  -4.735
  194    HD1  TYR  31           HD1      TYR  31  -6.058  -8.566  -6.310
  195    HD2  TYR  31           HD2      TYR  31  -2.766  -9.980  -4.031
  196    HE1  TYR  31           HE1      TYR  31  -7.035 -10.831  -6.306
  197    HE2  TYR  31           HE2      TYR  31  -3.724 -12.231  -4.020
  198    HH   TYR  31           HH       TYR  31  -5.728 -13.324  -4.296
  199    H    TYR  32           H        TYR  32  -4.419  -4.564  -5.969
  200    HA   TYR  32           HA       TYR  32  -2.057  -3.507  -4.641
  201    HB2  TYR  32           HB2      TYR  32  -2.013  -3.794  -7.118
  202    HB3  TYR  32           HB3      TYR  32  -3.239  -2.534  -7.235
  203    HD1  TYR  32           HD1      TYR  32  -2.457  -0.450  -7.801
  204    HD2  TYR  32           HD2      TYR  32   0.038  -3.022  -5.517
  205    HE1  TYR  32           HE1      TYR  32  -0.695   1.253  -7.818
  206    HE2  TYR  32           HE2      TYR  32   1.815  -1.327  -5.524
  207    HH   TYR  32           HH       TYR  32   1.307   1.866  -6.532
  208    H    SER  33           H        SER  33  -2.347  -2.110  -3.108
  209    HA   SER  33           HA       SER  33  -4.382  -0.041  -3.435
  210    HB2  SER  33           HB2      SER  33  -3.718  -1.543  -0.874
  211    HB3  SER  33           HB3      SER  33  -4.933  -0.266  -1.056
  212    HG   SER  33           HG       SER  33  -5.480  -2.064  -2.884
  213    H    GLN  34           H        GLN  34  -3.398   1.921  -3.319
  214    HA   GLN  34           HA       GLN  34  -0.670   1.999  -2.204
  215    HB2  GLN  34           HB2      GLN  34  -0.417   2.029  -4.564
  216    HB3  GLN  34           HB3      GLN  34  -1.741   3.154  -4.772
  217    HG2  GLN  34           HG2      GLN  34  -0.429   4.955  -3.889
  218    HG3  GLN  34           HG3      GLN  34   0.882   3.844  -3.470
  219   HE21  GLN  34          HE21      GLN  34   2.307   3.211  -5.064
  220   HE22  GLN  34          HE22      GLN  34   2.278   3.867  -6.657
  221    H    CYS  35           H        CYS  35  -0.155   3.613  -0.850
  222    HA   CYS  35           HA       CYS  35  -2.213   5.381   0.105
  223    HB2  CYS  35           HB2      CYS  35   0.735   5.412   0.791
  224    HB3  CYS  35           HB3      CYS  35  -0.586   6.188   1.658
  225    H    LEU  36           H        LEU  36  -2.838   7.037  -0.962
  226    HA   LEU  36           HA       LEU  36  -0.880   8.698  -2.339
  227    HB2  LEU  36           HB2      LEU  36  -3.785   8.176  -2.971
  228    HB3  LEU  36           HB3      LEU  36  -2.790   9.372  -3.784
  229    HG   LEU  36           HG       LEU  36  -2.277   6.396  -3.829
  230   HD11  LEU  36          HD11      LEU  36  -3.461   8.201  -5.935
  231   HD12  LEU  36          HD12      LEU  36  -4.326   6.971  -5.010
  232   HD13  LEU  36          HD13      LEU  36  -3.049   6.495  -6.131
  233   HD21  LEU  36          HD21      LEU  36  -0.704   6.957  -5.621
  234   HD22  LEU  36          HD22      LEU  36  -0.245   7.725  -4.104
  235   HD23  LEU  36          HD23      LEU  36  -1.029   8.670  -5.373
  236    H2   BGC 101           H2       BGC 101   8.342   3.469   0.831
  237    H3   BGC 101           H3       BGC 101   6.103   1.496   1.330
  238    H4   BGC 101           H4       BGC 101   9.015   1.627   2.229
  239    H5   BGC 101           H5       BGC 101   6.356   1.883   3.780
  240   H6C1  BGC 101           H61      BGC 101   9.277   2.147   4.604
  241   H6C2  BGC 101           H62      BGC 101   8.100   0.966   5.226
  242    H1   BGC 101           H1       BGC 101   5.632   3.665   2.189
  243    HB   BGC 101           HO2      BGC 101   6.755   4.473  -0.432
  244    HC   BGC 101           HO3      BGC 101   7.129   1.364  -0.710
  245    HD   BGC 101           HO4      BGC 101   8.174  -0.474   1.813
  246    H6   BGC 101           HO6      BGC 101   6.858   2.779   6.081
  Start of MODEL   17
    1    H1   THR   1           H1       THR   1   4.834   2.465  10.029
    2    H2   THR   1           H2       THR   1   5.873   2.861   8.742
    3    H3   THR   1           H3       THR   1   4.972   1.453   8.669
    4    HA   THR   1           HA       THR   1   2.956   2.778   8.571
    5    HB   THR   1           HB       THR   1   4.852   5.147   8.499
    6    HG1  THR   1           HG1      THR   1   3.228   4.712  10.734
    7   HG21  THR   1          HG21      THR   1   2.811   6.427   8.958
    8   HG22  THR   1          HG22      THR   1   1.878   4.933   9.002
    9   HG23  THR   1          HG23      THR   1   2.617   5.467   7.489
   10    H    GLN   2           H        GLN   2   2.247   3.024   6.402
   11    HA   GLN   2           HA       GLN   2   4.281   2.441   4.469
   12    HB2  GLN   2           HB2      GLN   2   2.092   1.250   4.453
   13    HB3  GLN   2           HB3      GLN   2   1.303   2.767   4.075
   14    HG2  GLN   2           HG2      GLN   2   1.633   1.360   2.086
   15    HG3  GLN   2           HG3      GLN   2   2.444   2.921   1.974
   16   HE21  GLN   2          HE21      GLN   2   2.877  -0.494   2.268
   17   HE22  GLN   2          HE22      GLN   2   4.566  -0.519   1.926
   18    H    SER   3           H        SER   3   5.204   3.899   3.207
   19    HA   SER   3           HA       SER   3   4.531   6.622   3.553
   20    HB2  SER   3           HB2      SER   3   6.514   7.108   2.340
   21    HB3  SER   3           HB3      SER   3   6.884   5.766   3.400
   22    H    HIS   4           H        HIS   4   4.576   8.025   1.539
   23    HA   HIS   4           HA       HIS   4   2.225   7.632   0.068
   24    HB2  HIS   4           HB2      HIS   4   3.476   9.801   0.645
   25    HB3  HIS   4           HB3      HIS   4   4.538   9.420  -0.696
   26    HD1  HIS   4           HD1      HIS   4   3.719  11.733  -1.678
   27    HD2  HIS   4           HD2      HIS   4   0.779   8.820  -1.386
   28    HE1  HIS   4           HE1      HIS   4   1.814  12.570  -3.042
   29    HE2  HIS   4           HE2      HIS   4   0.083  10.804  -2.948
   30    H    TYR   5           H        TYR   5   1.833   6.583  -1.809
   31    HA   TYR   5           HA       TYR   5   2.005   5.459  -3.673
   32    HB2  TYR   5           HB2      TYR   5   4.829   6.503  -3.845
   33    HB3  TYR   5           HB3      TYR   5   4.166   5.407  -5.036
   34    HD1  TYR   5           HD1      TYR   5   3.869   8.812  -3.633
   35    HD2  TYR   5           HD2      TYR   5   2.593   6.138  -6.681
   36    HE1  TYR   5           HE1      TYR   5   2.854  10.685  -4.855
   37    HE2  TYR   5           HE2      TYR   5   1.573   8.005  -7.907
   38    HH   TYR   5           HH       TYR   5   0.741  10.211  -7.516
   39    H    GLY   6           H        GLY   6   2.993   4.447  -0.949
   40    HA2  GLY   6           HA2      GLY   6   4.246   1.990  -1.894
   41    HA3  GLY   6           HA3      GLY   6   4.020   2.475  -0.215
   42    H    GLN   7           H        GLN   7   3.347  -0.057  -1.189
   43    HA   GLN   7           HA       GLN   7   0.538  -0.176  -1.700
   44    HB2  GLN   7           HB2      GLN   7   2.075  -1.842  -2.616
   45    HB3  GLN   7           HB3      GLN   7   2.503  -2.361  -0.996
   46    HG2  GLN   7           HG2      GLN   7   0.175  -3.116  -0.662
   47    HG3  GLN   7           HG3      GLN   7  -0.195  -2.632  -2.312
   48   HE21  GLN   7          HE21      GLN   7  -0.728  -4.854  -2.916
   49   HE22  GLN   7          HE22      GLN   7   0.533  -5.970  -3.158
   50    H    CYS   8           H        CYS   8  -0.883   0.208  -0.226
   51    HA   CYS   8           HA       CYS   8  -0.218   0.056   2.604
   52    HB2  CYS   8           HB2      CYS   8  -2.404   1.210   2.917
   53    HB3  CYS   8           HB3      CYS   8  -1.227   2.082   1.941
   54    H    GLY   9           H        GLY   9  -1.224  -2.229   0.680
   55    HA2  GLY   9           HA2      GLY   9  -1.812  -4.285   1.940
   56    HA3  GLY   9           HA3      GLY   9  -2.952  -3.283   2.819
   57    H    GLY  10           H        GLY  10  -2.254  -4.881  -0.139
   58    HA2  GLY  10           HA2      GLY  10  -5.075  -4.672  -0.930
   59    HA3  GLY  10           HA3      GLY  10  -3.742  -5.314  -1.893
   60    H    ILE  11           H        ILE  11  -5.559  -7.046  -1.955
   61    HA   ILE  11           HA       ILE  11  -5.692  -8.816   0.231
   62    HB   ILE  11           HB       ILE  11  -5.921  -9.442  -2.738
   63   HG12  ILE  11          HG12      ILE  11  -8.109  -8.863  -0.723
   64   HG13  ILE  11          HG13      ILE  11  -7.519  -7.716  -1.919
   65   HG21  ILE  11          HG21      ILE  11  -7.192 -11.430  -2.013
   66   HG22  ILE  11          HG22      ILE  11  -6.859 -11.020  -0.330
   67   HG23  ILE  11          HG23      ILE  11  -5.535 -11.457  -1.407
   68   HD11  ILE  11          HD11      ILE  11  -8.871 -10.337  -2.491
   69   HD12  ILE  11          HD12      ILE  11  -8.282  -9.199  -3.703
   70   HD13  ILE  11          HD13      ILE  11  -9.603  -8.739  -2.625
   71    H    GLY  12           H        GLY  12  -4.114 -10.040   1.048
   72    HA2  GLY  12           HA2      GLY  12  -2.399 -11.648   0.897
   73    HA3  GLY  12           HA3      GLY  12  -2.027 -11.068  -0.717
   74    H    TYR  13           H        TYR  13  -2.330  -8.337   1.068
   75    HA   TYR  13           HA       TYR  13   0.516  -8.425   1.803
   76    HB2  TYR  13           HB2      TYR  13  -0.064  -6.822  -0.052
   77    HB3  TYR  13           HB3      TYR  13  -1.106  -5.969   1.070
   78    HD1  TYR  13           HD1      TYR  13  -0.122  -4.554   2.850
   79    HD2  TYR  13           HD2      TYR  13   2.351  -6.685   0.120
   80    HE1  TYR  13           HE1      TYR  13   1.789  -3.193   3.530
   81    HE2  TYR  13           HE2      TYR  13   4.281  -5.321   0.804
   82    HH   TYR  13           HH       TYR  13   4.660  -3.069   1.799
   83    H    SER  14           H        SER  14   0.828  -8.450   3.905
   84    HA   SER  14           HA       SER  14  -1.282  -7.381   5.637
   85    HB2  SER  14           HB2      SER  14   0.626  -9.571   6.166
   86    HB3  SER  14           HB3      SER  14  -0.760  -9.136   7.174
   87    HG   SER  14           HG       SER  14  -2.116 -10.035   5.728
   88    H    GLY  15           H        GLY  15   1.531  -6.436   4.520
   89    HA2  GLY  15           HA2      GLY  15   3.064  -5.942   6.908
   90    HA3  GLY  15           HA3      GLY  15   3.398  -5.307   5.304
   91    HA   PRO  16           HA       PRO  16   2.155  -1.613   7.732
   92    HB2  PRO  16           HB2      PRO  16   3.228   0.196   5.938
   93    HB3  PRO  16           HB3      PRO  16   4.110  -0.509   7.291
   94    HG2  PRO  16           HG2      PRO  16   4.126  -1.290   4.414
   95    HG3  PRO  16           HG3      PRO  16   5.469  -1.233   5.568
   96    HD2  PRO  16           HD2      PRO  16   4.281  -3.535   4.852
   97    HD3  PRO  16           HD3      PRO  16   4.932  -3.286   6.487
   98    H    THR  17           H        THR  17   0.056  -1.500   7.506
   99    HA   THR  17           HA       THR  17  -1.148  -1.023   4.900
  100    HB   THR  17           HB       THR  17  -3.284  -1.549   6.211
  101    HG1  THR  17           HG1      THR  17  -2.764  -1.431   8.306
  102   HG21  THR  17          HG21      THR  17  -1.142  -3.686   6.052
  103   HG22  THR  17          HG22      THR  17  -2.159  -3.170   4.713
  104   HG23  THR  17          HG23      THR  17  -2.885  -3.971   6.109
  105    H    VAL  18           H        VAL  18  -0.489   0.455   7.893
  106    HA   VAL  18           HA       VAL  18  -2.412   2.590   7.591
  107    HB   VAL  18           HB       VAL  18  -0.153   2.231   9.598
  108   HG11  VAL  18          HG11      VAL  18  -1.219   4.012  10.892
  109   HG12  VAL  18          HG12      VAL  18  -2.419   4.216   9.619
  110   HG13  VAL  18          HG13      VAL  18  -0.726   4.601   9.300
  111   HG21  VAL  18          HG21      VAL  18  -3.125   1.814   9.882
  112   HG22  VAL  18          HG22      VAL  18  -1.941   1.668  11.179
  113   HG23  VAL  18          HG23      VAL  18  -1.905   0.547   9.818
  114    H    CYS  19           H        CYS  19  -2.047   4.215   6.319
  115    HA   CYS  19           HA       CYS  19   0.495   4.676   5.064
  116    HB2  CYS  19           HB2      CYS  19  -2.125   6.158   4.848
  117    HB3  CYS  19           HB3      CYS  19  -0.723   6.358   3.802
  118    H    ALA  20           H        ALA  20   1.483   6.710   5.011
  119    HA   ALA  20           HA       ALA  20   1.930   8.024   7.435
  120    HB1  ALA  20           HB1      ALA  20   3.085   9.711   6.082
  121    HB2  ALA  20           HB2      ALA  20   2.339   9.049   4.627
  122    HB3  ALA  20           HB3      ALA  20   3.487   8.080   5.546
  123    H    SER  21           H        SER  21   1.263  10.077   8.173
  124    HA   SER  21           HA       SER  21  -1.471  10.634   7.811
  125    HB2  SER  21           HB2      SER  21  -0.142  11.134   9.899
  126    HB3  SER  21           HB3      SER  21   0.634  12.455   9.028
  127    HG   SER  21           HG       SER  21  -2.040  12.154   9.824
  128    H    GLY  22           H        GLY  22  -2.429  11.697   6.235
  129    HA2  GLY  22           HA2      GLY  22  -2.576  13.713   4.895
  130    HA3  GLY  22           HA3      GLY  22  -0.835  13.588   4.638
  131    H    THR  23           H        THR  23  -1.272  10.582   4.473
  132    HA   THR  23           HA       THR  23  -2.178  10.612   1.693
  133    HB   THR  23           HB       THR  23  -0.768   8.683   1.267
  134    HG1  THR  23           HG1      THR  23  -0.342   8.809   4.068
  135   HG21  THR  23          HG21      THR  23   0.758  10.885   2.659
  136   HG22  THR  23          HG22      THR  23   0.249  10.873   0.968
  137   HG23  THR  23          HG23      THR  23   1.451   9.714   1.538
  138    H    THR  24           H        THR  24  -3.560   8.994   1.002
  139    HA   THR  24           HA       THR  24  -4.826   7.557   3.223
  140    HB   THR  24           HB       THR  24  -6.964   7.761   1.916
  141    HG1  THR  24           HG1      THR  24  -5.264   9.291   0.218
  142   HG21  THR  24          HG21      THR  24  -7.386  10.095   2.595
  143   HG22  THR  24          HG22      THR  24  -5.651  10.350   2.766
  144   HG23  THR  24          HG23      THR  24  -6.481   9.219   3.831
  145    H    CYS  25           H        CYS  25  -5.482   5.433   2.863
  146    HA   CYS  25           HA       CYS  25  -3.957   4.073   0.879
  147    HB2  CYS  25           HB2      CYS  25  -4.344   3.077   3.098
  148    HB3  CYS  25           HB3      CYS  25  -6.072   3.016   2.776
  149    H    GLN  26           H        GLN  26  -4.555   4.148  -1.178
  150    HA   GLN  26           HA       GLN  26  -7.395   4.090  -1.875
  151    HB2  GLN  26           HB2      GLN  26  -4.952   4.767  -3.527
  152    HB3  GLN  26           HB3      GLN  26  -6.609   4.822  -4.094
  153    HG2  GLN  26           HG2      GLN  26  -5.480   6.521  -1.883
  154    HG3  GLN  26           HG3      GLN  26  -5.690   7.034  -3.556
  155   HE21  GLN  26          HE21      GLN  26  -6.812   8.072  -1.088
  156   HE22  GLN  26          HE22      GLN  26  -8.530   8.071  -1.343
  157    H    VAL  27           H        VAL  27  -8.070   2.057  -2.213
  158    HA   VAL  27           HA       VAL  27  -6.266   0.005  -3.058
  159    HB   VAL  27           HB       VAL  27  -9.307  -0.046  -2.886
  160   HG11  VAL  27          HG11      VAL  27  -8.410  -1.816  -4.312
  161   HG12  VAL  27          HG12      VAL  27  -9.080  -2.473  -2.821
  162   HG13  VAL  27          HG13      VAL  27  -7.333  -2.322  -3.012
  163   HG21  VAL  27          HG21      VAL  27  -7.243  -0.949  -0.878
  164   HG22  VAL  27          HG22      VAL  27  -8.985  -1.177  -0.733
  165   HG23  VAL  27          HG23      VAL  27  -8.307   0.449  -0.717
  166    H    LEU  28           H        LEU  28  -5.471   0.297  -5.022
  167    HA   LEU  28           HA       LEU  28  -7.019   1.505  -7.163
  168    HB2  LEU  28           HB2      LEU  28  -4.250   0.319  -7.241
  169    HB3  LEU  28           HB3      LEU  28  -4.979   1.320  -8.474
  170    HG   LEU  28           HG       LEU  28  -4.159   2.203  -5.707
  171   HD11  LEU  28          HD11      LEU  28  -2.311   1.809  -7.217
  172   HD12  LEU  28          HD12      LEU  28  -2.508   3.538  -6.905
  173   HD13  LEU  28          HD13      LEU  28  -3.058   2.841  -8.431
  174   HD21  LEU  28          HD21      LEU  28  -4.700   4.444  -6.469
  175   HD22  LEU  28          HD22      LEU  28  -6.139   3.414  -6.431
  176   HD23  LEU  28          HD23      LEU  28  -5.348   3.785  -7.973
  177    H    ASN  29           H        ASN  29  -5.789  -1.602  -6.226
  178    HA   ASN  29           HA       ASN  29  -7.380  -2.906  -8.271
  179    HB2  ASN  29           HB2      ASN  29  -4.462  -3.537  -7.681
  180    HB3  ASN  29           HB3      ASN  29  -5.532  -4.476  -8.714
  181   HD21  ASN  29          HD21      ASN  29  -3.566  -1.660  -8.432
  182   HD22  ASN  29          HD22      ASN  29  -3.626  -1.196 -10.078
  183    HA   PRO  30           HA       PRO  30  -8.441  -5.578  -4.887
  184    HB2  PRO  30           HB2      PRO  30  -7.284  -7.891  -6.382
  185    HB3  PRO  30           HB3      PRO  30  -8.873  -7.727  -5.619
  186    HG2  PRO  30           HG2      PRO  30  -8.681  -7.518  -8.242
  187    HG3  PRO  30           HG3      PRO  30  -9.700  -6.380  -7.340
  188    HD2  PRO  30           HD2      PRO  30  -6.970  -5.983  -8.483
  189    HD3  PRO  30           HD3      PRO  30  -8.348  -4.870  -8.492
  190    H    TYR  31           H        TYR  31  -5.196  -6.342  -6.227
  191    HA   TYR  31           HA       TYR  31  -4.396  -7.042  -3.478
  192    HB2  TYR  31           HB2      TYR  31  -2.775  -7.450  -6.000
  193    HB3  TYR  31           HB3      TYR  31  -2.479  -8.135  -4.418
  194    HD1  TYR  31           HD1      TYR  31  -3.899  -9.994  -3.596
  195    HD2  TYR  31           HD2      TYR  31  -4.322  -8.468  -7.536
  196    HE1  TYR  31           HE1      TYR  31  -5.114 -12.022  -4.248
  197    HE2  TYR  31           HE2      TYR  31  -5.544 -10.485  -8.191
  198    HH   TYR  31           HH       TYR  31  -6.756 -12.668  -5.960
  199    H    TYR  32           H        TYR  32  -3.866  -4.738  -6.035
  200    HA   TYR  32           HA       TYR  32  -1.743  -3.609  -4.427
  201    HB2  TYR  32           HB2      TYR  32  -1.338  -3.838  -6.863
  202    HB3  TYR  32           HB3      TYR  32  -2.595  -2.634  -7.147
  203    HD1  TYR  32           HD1      TYR  32   0.639  -3.178  -5.447
  204    HD2  TYR  32           HD2      TYR  32  -2.103  -0.332  -7.010
  205    HE1  TYR  32           HE1      TYR  32   2.282  -1.403  -5.064
  206    HE2  TYR  32           HE2      TYR  32  -0.463   1.461  -6.636
  207    HH   TYR  32           HH       TYR  32   2.751   0.841  -6.032
  208    H    SER  33           H        SER  33  -2.225  -2.267  -2.911
  209    HA   SER  33           HA       SER  33  -4.234  -0.199  -3.420
  210    HB2  SER  33           HB2      SER  33  -3.364  -1.368  -0.756
  211    HB3  SER  33           HB3      SER  33  -4.655  -0.197  -1.013
  212    HG   SER  33           HG       SER  33  -5.168  -2.547  -0.757
  213    H    GLN  34           H        GLN  34  -3.433   1.911  -3.021
  214    HA   GLN  34           HA       GLN  34  -0.608   2.061  -2.241
  215    HB2  GLN  34           HB2      GLN  34  -0.604   2.133  -4.620
  216    HB3  GLN  34           HB3      GLN  34  -1.941   3.269  -4.660
  217    HG2  GLN  34           HG2      GLN  34  -0.531   5.011  -3.791
  218    HG3  GLN  34           HG3      GLN  34   0.799   3.862  -3.583
  219   HE21  GLN  34          HE21      GLN  34   2.012   3.292  -5.364
  220   HE22  GLN  34          HE22      GLN  34   1.844   4.048  -6.894
  221    H    CYS  35           H        CYS  35  -0.112   3.702  -0.899
  222    HA   CYS  35           HA       CYS  35  -2.234   5.343   0.127
  223    HB2  CYS  35           HB2      CYS  35   0.721   5.632   0.693
  224    HB3  CYS  35           HB3      CYS  35  -0.639   6.313   1.579
  225    H    LEU  36           H        LEU  36  -2.941   7.007  -0.868
  226    HA   LEU  36           HA       LEU  36  -1.105   8.819  -2.229
  227    HB2  LEU  36           HB2      LEU  36  -3.954   8.111  -2.933
  228    HB3  LEU  36           HB3      LEU  36  -3.042   9.403  -3.684
  229    HG   LEU  36           HG       LEU  36  -2.326   6.473  -3.830
  230   HD11  LEU  36          HD11      LEU  36  -3.542   8.289  -5.906
  231   HD12  LEU  36          HD12      LEU  36  -4.351   6.951  -5.086
  232   HD13  LEU  36          HD13      LEU  36  -2.996   6.632  -6.166
  233   HD21  LEU  36          HD21      LEU  36  -0.717   7.210  -5.530
  234   HD22  LEU  36          HD22      LEU  36  -0.367   7.901  -3.954
  235   HD23  LEU  36          HD23      LEU  36  -1.139   8.888  -5.196
  236    H2   BGC 101           H2       BGC 101   8.372   3.631   0.154
  237    H3   BGC 101           H3       BGC 101   6.198   1.507   0.393
  238    H4   BGC 101           H4       BGC 101   9.084   1.679   1.321
  239    H5   BGC 101           H5       BGC 101   6.391   1.589   2.800
  240   H6C1  BGC 101           H61      BGC 101   9.269   1.777   3.769
  241   H6C2  BGC 101           H62      BGC 101   8.121   0.464   4.118
  242    H1   BGC 101           H1       BGC 101   5.669   3.582   1.525
  243    HB   BGC 101           HO2      BGC 101   6.621   4.759  -0.865
  244    HC   BGC 101           HO3      BGC 101   7.177   1.530  -1.675
  245    HD   BGC 101           HO4      BGC 101   8.410  -0.364   0.602
  246    H6   BGC 101           HO6      BGC 101   7.276   3.058   4.724
  Start of MODEL   18
    1    H1   THR   1           H1       THR   1   5.499   2.672   9.072
    2    H2   THR   1           H2       THR   1   4.265   1.490   9.090
    3    H3   THR   1           H3       THR   1   4.358   2.695  10.308
    4    HA   THR   1           HA       THR   1   2.643   3.140   8.707
    5    HB   THR   1           HB       THR   1   4.852   5.189   8.728
    6    HG1  THR   1           HG1      THR   1   4.621   5.385  10.853
    7   HG21  THR   1          HG21      THR   1   2.719   5.769   7.672
    8   HG22  THR   1          HG22      THR   1   2.960   6.693   9.158
    9   HG23  THR   1          HG23      THR   1   1.862   5.314   9.143
   10    H    GLN   2           H        GLN   2   2.144   3.079   6.618
   11    HA   GLN   2           HA       GLN   2   4.119   2.313   4.701
   12    HB2  GLN   2           HB2      GLN   2   1.801   1.430   4.708
   13    HB3  GLN   2           HB3      GLN   2   1.208   3.034   4.328
   14    HG2  GLN   2           HG2      GLN   2   1.262   1.619   2.355
   15    HG3  GLN   2           HG3      GLN   2   2.366   2.982   2.198
   16   HE21  GLN   2          HE21      GLN   2   2.121  -0.422   2.648
   17   HE22  GLN   2          HE22      GLN   2   3.725  -0.829   2.238
   18    H    SER   3           H        SER   3   5.237   3.585   3.377
   19    HA   SER   3           HA       SER   3   5.037   6.379   3.603
   20    HB2  SER   3           HB2      SER   3   6.972   6.442   2.130
   21    HB3  SER   3           HB3      SER   3   7.209   5.204   3.344
   22    H    HIS   4           H        HIS   4   5.058   7.776   1.561
   23    HA   HIS   4           HA       HIS   4   2.533   7.491   0.308
   24    HB2  HIS   4           HB2      HIS   4   3.776   9.677   0.785
   25    HB3  HIS   4           HB3      HIS   4   4.805   9.293  -0.586
   26    HD1  HIS   4           HD1      HIS   4   3.876  11.601  -1.558
   27    HD2  HIS   4           HD2      HIS   4   1.067   8.585  -1.184
   28    HE1  HIS   4           HE1      HIS   4   1.867  12.391  -2.857
   29    HE2  HIS   4           HE2      HIS   4   0.097  10.734  -2.109
   30    H    TYR   5           H        TYR   5   1.987   6.536  -1.566
   31    HA   TYR   5           HA       TYR   5   2.051   5.458  -3.465
   32    HB2  TYR   5           HB2      TYR   5   4.968   6.234  -3.634
   33    HB3  TYR   5           HB3      TYR   5   4.194   5.235  -4.847
   34    HD1  TYR   5           HD1      TYR   5   2.416   6.175  -6.267
   35    HD2  TYR   5           HD2      TYR   5   4.594   8.606  -3.548
   36    HE1  TYR   5           HE1      TYR   5   1.645   8.179  -7.456
   37    HE2  TYR   5           HE2      TYR   5   3.821  10.619  -4.727
   38    HH   TYR   5           HH       TYR   5   3.012  11.247  -6.906
   39    H    GLY   6           H        GLY   6   3.104   4.438  -0.709
   40    HA2  GLY   6           HA2      GLY   6   4.226   1.916  -1.531
   41    HA3  GLY   6           HA3      GLY   6   3.814   2.411   0.108
   42    H    GLN   7           H        GLN   7   3.189  -0.104  -0.881
   43    HA   GLN   7           HA       GLN   7   0.466  -0.125  -1.795
   44    HB2  GLN   7           HB2      GLN   7   2.249  -1.831  -2.418
   45    HB3  GLN   7           HB3      GLN   7   2.075  -2.476  -0.796
   46    HG2  GLN   7           HG2      GLN   7  -0.253  -2.998  -1.238
   47    HG3  GLN   7           HG3      GLN   7  -0.118  -2.295  -2.842
   48   HE21  GLN   7          HE21      GLN   7  -0.856  -5.062  -2.303
   49   HE22  GLN   7          HE22      GLN   7   0.370  -5.992  -3.050
   50    H    CYS   8           H        CYS   8  -1.078   0.331  -0.434
   51    HA   CYS   8           HA       CYS   8  -0.590   0.362   2.411
   52    HB2  CYS   8           HB2      CYS   8  -2.851   1.356   2.550
   53    HB3  CYS   8           HB3      CYS   8  -1.693   2.221   1.546
   54    H    GLY   9           H        GLY   9  -1.478  -2.153   0.652
   55    HA2  GLY   9           HA2      GLY   9  -1.924  -4.104   2.141
   56    HA3  GLY   9           HA3      GLY   9  -3.158  -3.092   2.871
   57    H    GLY  10           H        GLY  10  -2.245  -4.815   0.028
   58    HA2  GLY  10           HA2      GLY  10  -5.033  -4.820  -0.843
   59    HA3  GLY  10           HA3      GLY  10  -3.645  -5.382  -1.776
   60    H    ILE  11           H        ILE  11  -5.449  -7.177  -1.779
   61    HA   ILE  11           HA       ILE  11  -5.685  -8.875   0.434
   62    HB   ILE  11           HB       ILE  11  -5.742  -9.650  -2.494
   63   HG12  ILE  11          HG12      ILE  11  -8.047  -8.842  -0.690
   64   HG13  ILE  11          HG13      ILE  11  -7.319  -7.813  -1.914
   65   HG21  ILE  11          HG21      ILE  11  -7.119 -11.546  -1.750
   66   HG22  ILE  11          HG22      ILE  11  -6.895 -11.040  -0.071
   67   HG23  ILE  11          HG23      ILE  11  -5.509 -11.566  -1.026
   68   HD11  ILE  11          HD11      ILE  11  -8.735 -10.416  -2.419
   69   HD12  ILE  11          HD12      ILE  11  -8.026  -9.374  -3.648
   70   HD13  ILE  11          HD13      ILE  11  -9.395  -8.803  -2.692
   71    H    GLY  12           H        GLY  12  -4.014  -9.765   1.483
   72    HA2  GLY  12           HA2      GLY  12  -2.459 -11.596   1.484
   73    HA3  GLY  12           HA3      GLY  12  -1.991 -11.128  -0.142
   74    H    TYR  13           H        TYR  13  -2.066  -8.236   0.929
   75    HA   TYR  13           HA       TYR  13   0.754  -8.212   1.631
   76    HB2  TYR  13           HB2      TYR  13  -0.277  -6.563   0.003
   77    HB3  TYR  13           HB3      TYR  13  -1.155  -5.873   1.355
   78    HD1  TYR  13           HD1      TYR  13   2.039  -6.105  -0.357
   79    HD2  TYR  13           HD2      TYR  13   0.094  -4.577   3.099
   80    HE1  TYR  13           HE1      TYR  13   3.937  -4.598   0.032
   81    HE2  TYR  13           HE2      TYR  13   2.000  -3.064   3.495
   82    HH   TYR  13           HH       TYR  13   4.403  -2.566   1.105
   83    H    SER  14           H        SER  14   1.289  -8.489   3.690
   84    HA   SER  14           HA       SER  14  -0.609  -7.674   5.763
   85    HB2  SER  14           HB2      SER  14   1.600  -9.618   5.904
   86    HB3  SER  14           HB3      SER  14   0.331  -9.381   7.107
   87    HG   SER  14           HG       SER  14  -1.112  -9.847   5.205
   88    H    GLY  15           H        GLY  15   1.909  -6.345   4.365
   89    HA2  GLY  15           HA2      GLY  15   3.568  -5.756   6.655
   90    HA3  GLY  15           HA3      GLY  15   3.750  -5.103   5.031
   91    HA   PRO  16           HA       PRO  16   2.326  -1.562   7.513
   92    HB2  PRO  16           HB2      PRO  16   3.304   0.350   5.797
   93    HB3  PRO  16           HB3      PRO  16   4.251  -0.407   7.080
   94    HG2  PRO  16           HG2      PRO  16   4.214  -0.990   4.157
   95    HG3  PRO  16           HG3      PRO  16   5.578  -0.991   5.286
   96    HD2  PRO  16           HD2      PRO  16   4.349  -3.243   4.397
   97    HD3  PRO  16           HD3      PRO  16   5.162  -3.143   5.968
   98    H    THR  17           H        THR  17   0.217  -1.446   7.333
   99    HA   THR  17           HA       THR  17  -1.042  -0.898   4.764
  100    HB   THR  17           HB       THR  17  -3.129  -1.504   6.107
  101    HG1  THR  17           HG1      THR  17  -2.010  -3.070   7.859
  102   HG21  THR  17          HG21      THR  17  -2.020  -3.016   4.500
  103   HG22  THR  17          HG22      THR  17  -2.688  -3.900   5.872
  104   HG23  THR  17          HG23      THR  17  -0.954  -3.583   5.784
  105    H    VAL  18           H        VAL  18  -0.555   0.496   7.926
  106    HA   VAL  18           HA       VAL  18  -2.528   2.550   7.512
  107    HB   VAL  18           HB       VAL  18  -0.384   2.314   9.654
  108   HG11  VAL  18          HG11      VAL  18  -2.746   4.190   9.479
  109   HG12  VAL  18          HG12      VAL  18  -1.041   4.640   9.386
  110   HG13  VAL  18          HG13      VAL  18  -1.705   3.996  10.889
  111   HG21  VAL  18          HG21      VAL  18  -3.336   1.700   9.737
  112   HG22  VAL  18          HG22      VAL  18  -2.240   1.629  11.115
  113   HG23  VAL  18          HG23      VAL  18  -2.031   0.516   9.762
  114    H    CYS  19           H        CYS  19  -2.215   4.139   6.201
  115    HA   CYS  19           HA       CYS  19   0.317   4.812   5.103
  116    HB2  CYS  19           HB2      CYS  19  -2.305   6.294   4.862
  117    HB3  CYS  19           HB3      CYS  19  -0.897   6.428   3.806
  118    H    ALA  20           H        ALA  20   1.418   6.748   5.259
  119    HA   ALA  20           HA       ALA  20   1.583   7.914   7.818
  120    HB1  ALA  20           HB1      ALA  20   2.700   8.895   5.201
  121    HB2  ALA  20           HB2      ALA  20   3.490   7.763   6.300
  122    HB3  ALA  20           HB3      ALA  20   3.200   9.428   6.804
  123    H    SER  21           H        SER  21   1.146  10.028   8.477
  124    HA   SER  21           HA       SER  21  -1.319  11.064   8.073
  125    HB2  SER  21           HB2      SER  21   1.166  12.612   8.796
  126    HB3  SER  21           HB3      SER  21  -0.498  12.986   9.263
  127    HG   SER  21           HG       SER  21   1.054  11.720  10.745
  128    H    GLY  22           H        GLY  22  -2.246  11.861   6.335
  129    HA2  GLY  22           HA2      GLY  22  -2.396  13.811   4.890
  130    HA3  GLY  22           HA3      GLY  22  -0.678  13.616   4.571
  131    H    THR  23           H        THR  23  -1.363  10.584   4.568
  132    HA   THR  23           HA       THR  23  -2.308  10.582   1.770
  133    HB   THR  23           HB       THR  23  -0.865   8.608   1.341
  134    HG1  THR  23           HG1      THR  23  -0.274   8.941   4.089
  135   HG21  THR  23          HG21      THR  23   0.639  10.945   2.514
  136   HG22  THR  23          HG22      THR  23   0.029  10.827   0.864
  137   HG23  THR  23          HG23      THR  23   1.305   9.741   1.409
  138    H    THR  24           H        THR  24  -3.650   8.850   1.115
  139    HA   THR  24           HA       THR  24  -4.593   7.181   3.320
  140    HB   THR  24           HB       THR  24  -6.915   7.375   2.160
  141    HG1  THR  24           HG1      THR  24  -5.654   9.778   1.378
  142   HG21  THR  24          HG21      THR  24  -6.462   8.146   4.434
  143   HG22  THR  24          HG22      THR  24  -7.512   9.282   3.591
  144   HG23  THR  24          HG23      THR  24  -5.799   9.654   3.802
  145    H    CYS  25           H        CYS  25  -5.494   5.194   2.752
  146    HA   CYS  25           HA       CYS  25  -4.094   3.916   0.662
  147    HB2  CYS  25           HB2      CYS  25  -4.595   2.806   2.787
  148    HB3  CYS  25           HB3      CYS  25  -6.319   2.906   2.438
  149    H    GLN  26           H        GLN  26  -4.649   4.146  -1.382
  150    HA   GLN  26           HA       GLN  26  -7.470   4.266  -2.083
  151    HB2  GLN  26           HB2      GLN  26  -5.032   4.718  -3.815
  152    HB3  GLN  26           HB3      GLN  26  -6.702   5.044  -4.249
  153    HG2  GLN  26           HG2      GLN  26  -5.106   6.475  -2.135
  154    HG3  GLN  26           HG3      GLN  26  -5.496   7.086  -3.740
  155   HE21  GLN  26          HE21      GLN  26  -6.060   8.116  -1.104
  156   HE22  GLN  26          HE22      GLN  26  -7.745   8.368  -1.012
  157    H    VAL  27           H        VAL  27  -8.279   2.326  -2.555
  158    HA   VAL  27           HA       VAL  27  -6.542   0.145  -3.240
  159    HB   VAL  27           HB       VAL  27  -9.583   0.212  -3.196
  160   HG11  VAL  27          HG11      VAL  27  -7.681  -2.134  -3.210
  161   HG12  VAL  27          HG12      VAL  27  -8.638  -1.592  -4.576
  162   HG13  VAL  27          HG13      VAL  27  -9.444  -2.231  -3.134
  163   HG21  VAL  27          HG21      VAL  27  -7.636  -0.760  -1.107
  164   HG22  VAL  27          HG22      VAL  27  -9.392  -0.901  -1.021
  165   HG23  VAL  27          HG23      VAL  27  -8.630   0.692  -0.998
  166    H    LEU  28           H        LEU  28  -5.631   0.502  -5.110
  167    HA   LEU  28           HA       LEU  28  -6.924   1.637  -7.398
  168    HB2  LEU  28           HB2      LEU  28  -4.301   0.173  -7.103
  169    HB3  LEU  28           HB3      LEU  28  -4.825   0.968  -8.566
  170    HG   LEU  28           HG       LEU  28  -4.347   2.408  -5.949
  171   HD11  LEU  28          HD11      LEU  28  -2.617   2.176  -8.412
  172   HD12  LEU  28          HD12      LEU  28  -2.273   1.466  -6.832
  173   HD13  LEU  28          HD13      LEU  28  -2.304   3.217  -7.024
  174   HD21  LEU  28          HD21      LEU  28  -5.915   3.520  -7.428
  175   HD22  LEU  28          HD22      LEU  28  -4.765   3.307  -8.757
  176   HD23  LEU  28          HD23      LEU  28  -4.356   4.374  -7.410
  177    H    ASN  29           H        ASN  29  -5.844  -1.542  -6.439
  178    HA   ASN  29           HA       ASN  29  -7.449  -2.813  -8.509
  179    HB2  ASN  29           HB2      ASN  29  -4.520  -3.293  -7.827
  180    HB3  ASN  29           HB3      ASN  29  -5.485  -4.353  -8.841
  181   HD21  ASN  29          HD21      ASN  29  -3.051  -2.535  -9.293
  182   HD22  ASN  29          HD22      ASN  29  -3.478  -1.678 -10.718
  183    HA   PRO  30           HA       PRO  30  -8.679  -5.465  -5.176
  184    HB2  PRO  30           HB2      PRO  30  -7.536  -7.860  -6.516
  185    HB3  PRO  30           HB3      PRO  30  -9.182  -7.569  -5.941
  186    HG2  PRO  30           HG2      PRO  30  -8.651  -7.488  -8.539
  187    HG3  PRO  30           HG3      PRO  30  -9.756  -6.312  -7.802
  188    HD2  PRO  30           HD2      PRO  30  -6.906  -5.971  -8.638
  189    HD3  PRO  30           HD3      PRO  30  -8.277  -4.853  -8.818
  190    H    TYR  31           H        TYR  31  -5.430  -6.362  -6.342
  191    HA   TYR  31           HA       TYR  31  -4.758  -7.038  -3.561
  192    HB2  TYR  31           HB2      TYR  31  -3.284  -7.804  -6.112
  193    HB3  TYR  31           HB3      TYR  31  -2.848  -8.293  -4.486
  194    HD1  TYR  31           HD1      TYR  31  -3.780 -10.226  -3.535
  195    HD2  TYR  31           HD2      TYR  31  -5.559  -8.603  -7.030
  196    HE1  TYR  31           HE1      TYR  31  -5.236 -12.203  -3.708
  197    HE2  TYR  31           HE2      TYR  31  -7.021 -10.572  -7.207
  198    HH   TYR  31           HH       TYR  31  -7.006 -12.903  -6.472
  199    H    TYR  32           H        TYR  32  -3.978  -4.897  -6.217
  200    HA   TYR  32           HA       TYR  32  -1.831  -3.786  -4.605
  201    HB2  TYR  32           HB2      TYR  32  -1.379  -4.114  -7.025
  202    HB3  TYR  32           HB3      TYR  32  -2.608  -2.909  -7.393
  203    HD1  TYR  32           HD1      TYR  32  -1.885  -0.711  -7.727
  204    HD2  TYR  32           HD2      TYR  32   0.407  -3.300  -5.266
  205    HE1  TYR  32           HE1      TYR  32  -0.211   1.063  -7.429
  206    HE2  TYR  32           HE2      TYR  32   2.096  -1.552  -4.968
  207    HH   TYR  32           HH       TYR  32   2.881   0.425  -6.096
  208    H    SER  33           H        SER  33  -2.257  -2.327  -3.196
  209    HA   SER  33           HA       SER  33  -4.271  -0.290  -3.788
  210    HB2  SER  33           HB2      SER  33  -3.580  -1.497  -1.088
  211    HB3  SER  33           HB3      SER  33  -4.886  -0.364  -1.432
  212    HG   SER  33           HG       SER  33  -5.944  -2.262  -1.538
  213    H    GLN  34           H        GLN  34  -3.541   1.864  -3.063
  214    HA   GLN  34           HA       GLN  34  -0.743   1.935  -2.202
  215    HB2  GLN  34           HB2      GLN  34  -0.544   2.020  -4.555
  216    HB3  GLN  34           HB3      GLN  34  -1.852   3.172  -4.710
  217    HG2  GLN  34           HG2      GLN  34  -0.512   4.897  -3.738
  218    HG3  GLN  34           HG3      GLN  34   0.788   3.746  -3.393
  219   HE21  GLN  34          HE21      GLN  34   2.082   3.071  -5.050
  220   HE22  GLN  34          HE22      GLN  34   2.101   3.832  -6.588
  221    H    CYS  35           H        CYS  35  -0.208   3.588  -0.859
  222    HA   CYS  35           HA       CYS  35  -2.306   5.321   0.109
  223    HB2  CYS  35           HB2      CYS  35   0.652   5.470   0.804
  224    HB3  CYS  35           HB3      CYS  35  -0.669   6.254   1.624
  225    H    LEU  36           H        LEU  36  -2.875   7.063  -0.898
  226    HA   LEU  36           HA       LEU  36  -0.857   8.587  -2.330
  227    HB2  LEU  36           HB2      LEU  36  -3.739   8.090  -3.045
  228    HB3  LEU  36           HB3      LEU  36  -2.791   9.371  -3.769
  229    HG   LEU  36           HG       LEU  36  -2.111   6.433  -3.949
  230   HD11  LEU  36          HD11      LEU  36  -2.777   6.621  -6.280
  231   HD12  LEU  36          HD12      LEU  36  -3.341   8.274  -5.999
  232   HD13  LEU  36          HD13      LEU  36  -4.135   6.912  -5.202
  233   HD21  LEU  36          HD21      LEU  36  -0.527   7.188  -5.665
  234   HD22  LEU  36          HD22      LEU  36  -0.147   7.839  -4.080
  235   HD23  LEU  36          HD23      LEU  36  -0.931   8.861  -5.287
  236    H2   BGC 101           H2       BGC 101   8.282   2.404   0.488
  237    H3   BGC 101           H3       BGC 101   5.696   0.893   0.791
  238    H4   BGC 101           H4       BGC 101   8.499   0.427   1.940
  239    H5   BGC 101           H5       BGC 101   5.850   1.217   3.307
  240   H6C1  BGC 101           H61      BGC 101   8.724   0.898   4.231
  241   H6C2  BGC 101           H62      BGC 101   7.329  -0.028   4.812
  242    H1   BGC 101           H1       BGC 101   5.558   3.035   1.709
  243    HB   BGC 101           HO2      BGC 101   7.002   2.129  -1.399
  244    HC   BGC 101           HO3      BGC 101   8.187   0.067  -0.390
  245    HD   BGC 101           HO4      BGC 101   6.016  -0.967   2.231
  246    H6   BGC 101           HO6      BGC 101   7.513   2.810   4.990
  Start of MODEL   19
    1    H1   THR   1           H1       THR   1   5.199   2.726   9.365
    2    H2   THR   1           H2       THR   1   3.874   1.661   9.247
    3    H3   THR   1           H3       THR   1   3.986   2.759  10.526
    4    HA   THR   1           HA       THR   1   2.380   3.379   8.857
    5    HB   THR   1           HB       THR   1   4.669   5.335   9.198
    6    HG1  THR   1           HG1      THR   1   2.706   5.284  11.148
    7   HG21  THR   1          HG21      THR   1   1.658   5.653   9.202
    8   HG22  THR   1          HG22      THR   1   2.734   6.081   7.873
    9   HG23  THR   1          HG23      THR   1   2.834   6.954   9.403
   10    H    GLN   2           H        GLN   2   2.042   2.995   6.778
   11    HA   GLN   2           HA       GLN   2   4.139   2.473   4.933
   12    HB2  GLN   2           HB2      GLN   2   1.964   1.301   4.895
   13    HB3  GLN   2           HB3      GLN   2   1.165   2.807   4.480
   14    HG2  GLN   2           HG2      GLN   2   1.453   1.387   2.536
   15    HG3  GLN   2           HG3      GLN   2   2.379   2.879   2.373
   16   HE21  GLN   2          HE21      GLN   2   2.513  -0.511   2.832
   17   HE22  GLN   2          HE22      GLN   2   4.186  -0.729   2.504
   18    H    SER   3           H        SER   3   5.143   3.824   3.631
   19    HA   SER   3           HA       SER   3   4.595   6.583   3.790
   20    HB2  SER   3           HB2      SER   3   6.594   6.903   2.521
   21    HB3  SER   3           HB3      SER   3   6.910   5.658   3.712
   22    H    HIS   4           H        HIS   4   4.744   7.908   1.748
   23    HA   HIS   4           HA       HIS   4   2.414   7.562   0.235
   24    HB2  HIS   4           HB2      HIS   4   3.712   9.720   0.726
   25    HB3  HIS   4           HB3      HIS   4   4.814   9.232  -0.545
   26    HD1  HIS   4           HD1      HIS   4   4.062  11.556  -1.669
   27    HD2  HIS   4           HD2      HIS   4   1.102   8.655  -1.415
   28    HE1  HIS   4           HE1      HIS   4   2.215  12.330  -3.166
   29    HE2  HIS   4           HE2      HIS   4   0.372  10.775  -2.746
   30    H    TYR   5           H        TYR   5   2.014   6.519  -1.636
   31    HA   TYR   5           HA       TYR   5   2.178   5.376  -3.484
   32    HB2  TYR   5           HB2      TYR   5   5.125   6.038  -3.477
   33    HB3  TYR   5           HB3      TYR   5   4.382   5.032  -4.709
   34    HD1  TYR   5           HD1      TYR   5   4.877   8.406  -3.494
   35    HD2  TYR   5           HD2      TYR   5   2.700   6.020  -6.250
   36    HE1  TYR   5           HE1      TYR   5   4.271  10.418  -4.752
   37    HE2  TYR   5           HE2      TYR   5   2.087   8.031  -7.519
   38    HH   TYR   5           HH       TYR   5   3.613  10.990  -7.036
   39    H    GLY   6           H        GLY   6   3.244   4.388  -0.616
   40    HA2  GLY   6           HA2      GLY   6   4.283   1.839  -1.420
   41    HA3  GLY   6           HA3      GLY   6   3.890   2.353   0.215
   42    H    GLN   7           H        GLN   7   3.249  -0.153  -1.190
   43    HA   GLN   7           HA       GLN   7   0.483  -0.225  -1.695
   44    HB2  GLN   7           HB2      GLN   7   1.966  -1.952  -2.557
   45    HB3  GLN   7           HB3      GLN   7   2.417  -2.429  -0.926
   46    HG2  GLN   7           HG2      GLN   7   0.108  -3.171  -0.532
   47    HG3  GLN   7           HG3      GLN   7  -0.312  -2.704  -2.175
   48   HE21  GLN   7          HE21      GLN   7  -0.922  -4.907  -2.656
   49   HE22  GLN   7          HE22      GLN   7   0.283  -6.082  -2.929
   50    H    CYS   8           H        CYS   8  -1.032   0.148  -0.291
   51    HA   CYS   8           HA       CYS   8  -0.425   0.170   2.555
   52    HB2  CYS   8           HB2      CYS   8  -2.612   1.325   2.740
   53    HB3  CYS   8           HB3      CYS   8  -1.410   2.134   1.745
   54    H    GLY   9           H        GLY   9  -1.513  -2.224   0.728
   55    HA2  GLY   9           HA2      GLY   9  -2.142  -4.142   2.267
   56    HA3  GLY   9           HA3      GLY   9  -3.353  -3.034   2.886
   57    H    GLY  10           H        GLY  10  -2.264  -4.526  -0.057
   58    HA2  GLY  10           HA2      GLY  10  -5.052  -4.779  -0.927
   59    HA3  GLY  10           HA3      GLY  10  -3.614  -5.060  -1.914
   60    H    ILE  11           H        ILE  11  -5.513  -7.040  -1.768
   61    HA   ILE  11           HA       ILE  11  -5.019  -8.908   0.248
   62    HB   ILE  11           HB       ILE  11  -5.883  -9.398  -2.616
   63   HG12  ILE  11          HG12      ILE  11  -7.510  -9.202  -0.066
   64   HG13  ILE  11          HG13      ILE  11  -7.373  -7.928  -1.268
   65   HG21  ILE  11          HG21      ILE  11  -4.958 -11.425  -1.613
   66   HG22  ILE  11          HG22      ILE  11  -6.708 -11.571  -1.814
   67   HG23  ILE  11          HG23      ILE  11  -6.021 -11.236  -0.218
   68   HD11  ILE  11          HD11      ILE  11  -8.459  -9.359  -2.910
   69   HD12  ILE  11          HD12      ILE  11  -9.464  -9.148  -1.477
   70   HD13  ILE  11          HD13      ILE  11  -8.570 -10.652  -1.718
   71    H    GLY  12           H        GLY  12  -3.315 -10.042   0.726
   72    HA2  GLY  12           HA2      GLY  12  -1.629 -11.629   0.098
   73    HA3  GLY  12           HA3      GLY  12  -1.378 -10.694  -1.373
   74    H    TYR  13           H        TYR  13  -1.841  -8.435   0.898
   75    HA   TYR  13           HA       TYR  13   1.040  -8.221   1.396
   76    HB2  TYR  13           HB2      TYR  13   0.013  -6.409   0.023
   77    HB3  TYR  13           HB3      TYR  13  -1.044  -6.025   1.374
   78    HD1  TYR  13           HD1      TYR  13  -0.331  -4.482   2.996
   79    HD2  TYR  13           HD2      TYR  13   2.497  -6.252   0.403
   80    HE1  TYR  13           HE1      TYR  13   1.387  -2.977   3.871
   81    HE2  TYR  13           HE2      TYR  13   4.256  -4.741   1.271
   82    HH   TYR  13           HH       TYR  13   3.655  -2.772   4.053
   83    H    SER  14           H        SER  14   1.713  -8.463   3.432
   84    HA   SER  14           HA       SER  14  -0.255  -8.317   5.614
   85    HB2  SER  14           HB2      SER  14   2.240  -9.897   5.448
   86    HB3  SER  14           HB3      SER  14   0.977 -10.076   6.669
   87    HG   SER  14           HG       SER  14  -0.272 -11.098   5.274
   88    H    GLY  15           H        GLY  15   1.621  -6.242   4.469
   89    HA2  GLY  15           HA2      GLY  15   3.448  -5.823   6.746
   90    HA3  GLY  15           HA3      GLY  15   3.563  -5.035   5.178
   91    HA   PRO  16           HA       PRO  16   1.742  -1.883   8.149
   92    HB2  PRO  16           HB2      PRO  16   2.870   0.193   6.683
   93    HB3  PRO  16           HB3      PRO  16   3.605  -0.544   8.111
   94    HG2  PRO  16           HG2      PRO  16   4.097  -1.119   5.215
   95    HG3  PRO  16           HG3      PRO  16   5.272  -0.960   6.533
   96    HD2  PRO  16           HD2      PRO  16   4.590  -3.358   5.660
   97    HD3  PRO  16           HD3      PRO  16   4.742  -3.073   7.406
   98    H    THR  17           H        THR  17  -0.257  -1.332   7.770
   99    HA   THR  17           HA       THR  17  -1.137  -0.963   5.016
  100    HB   THR  17           HB       THR  17  -3.439  -1.492   6.051
  101    HG1  THR  17           HG1      THR  17  -1.870  -2.779   8.030
  102   HG21  THR  17          HG21      THR  17  -3.022  -3.905   5.906
  103   HG22  THR  17          HG22      THR  17  -1.285  -3.616   6.017
  104   HG23  THR  17          HG23      THR  17  -2.182  -3.048   4.613
  105    H    VAL  18           H        VAL  18  -0.961   0.578   8.118
  106    HA   VAL  18           HA       VAL  18  -2.792   2.679   7.410
  107    HB   VAL  18           HB       VAL  18  -0.804   2.512   9.707
  108   HG11  VAL  18          HG11      VAL  18  -2.071   4.407  10.682
  109   HG12  VAL  18          HG12      VAL  18  -2.982   4.544   9.176
  110   HG13  VAL  18          HG13      VAL  18  -1.242   4.836   9.186
  111   HG21  VAL  18          HG21      VAL  18  -2.628   0.867   9.846
  112   HG22  VAL  18          HG22      VAL  18  -3.802   2.162   9.664
  113   HG23  VAL  18          HG23      VAL  18  -2.775   2.100  11.097
  114    H    CYS  19           H        CYS  19  -2.329   4.193   6.061
  115    HA   CYS  19           HA       CYS  19   0.292   4.698   5.074
  116    HB2  CYS  19           HB2      CYS  19  -2.261   6.253   4.638
  117    HB3  CYS  19           HB3      CYS  19  -0.770   6.364   3.690
  118    H    ALA  20           H        ALA  20   1.322   6.737   5.059
  119    HA   ALA  20           HA       ALA  20   1.573   7.927   7.603
  120    HB1  ALA  20           HB1      ALA  20   2.631   8.846   4.943
  121    HB2  ALA  20           HB2      ALA  20   3.427   7.711   6.033
  122    HB3  ALA  20           HB3      ALA  20   3.174   9.388   6.530
  123    H    SER  21           H        SER  21   1.404  10.187   8.044
  124    HA   SER  21           HA       SER  21  -1.126  11.218   7.659
  125    HB2  SER  21           HB2      SER  21  -0.034  13.298   8.648
  126    HB3  SER  21           HB3      SER  21   0.112  11.813   9.590
  127    HG   SER  21           HG       SER  21   2.013  12.945   7.853
  128    H    GLY  22           H        GLY  22  -2.010  12.367   6.063
  129    HA2  GLY  22           HA2      GLY  22  -1.976  14.068   4.425
  130    HA3  GLY  22           HA3      GLY  22  -0.260  13.760   4.188
  131    H    THR  23           H        THR  23  -1.234  10.747   4.341
  132    HA   THR  23           HA       THR  23  -2.040  10.653   1.513
  133    HB   THR  23           HB       THR  23  -0.733   8.572   1.252
  134    HG1  THR  23           HG1      THR  23  -0.351   8.916   4.001
  135   HG21  THR  23          HG21      THR  23   0.895  10.841   2.383
  136   HG22  THR  23          HG22      THR  23   0.358  10.674   0.709
  137   HG23  THR  23          HG23      THR  23   1.514   9.527   1.385
  138    H    THR  24           H        THR  24  -3.493   8.953   0.962
  139    HA   THR  24           HA       THR  24  -4.570   7.495   3.249
  140    HB   THR  24           HB       THR  24  -6.816   7.633   1.996
  141    HG1  THR  24           HG1      THR  24  -5.284   9.090   0.340
  142   HG21  THR  24          HG21      THR  24  -7.387   9.796   3.037
  143   HG22  THR  24          HG22      THR  24  -5.670  10.127   3.268
  144   HG23  THR  24          HG23      THR  24  -6.431   8.785   4.118
  145    H    CYS  25           H        CYS  25  -5.278   5.416   2.833
  146    HA   CYS  25           HA       CYS  25  -3.877   4.068   0.787
  147    HB2  CYS  25           HB2      CYS  25  -4.360   2.995   2.937
  148    HB3  CYS  25           HB3      CYS  25  -6.087   3.091   2.614
  149    H    GLN  26           H        GLN  26  -4.432   3.963  -1.291
  150    HA   GLN  26           HA       GLN  26  -7.252   4.258  -2.063
  151    HB2  GLN  26           HB2      GLN  26  -4.793   4.310  -3.820
  152    HB3  GLN  26           HB3      GLN  26  -6.430   4.718  -4.288
  153    HG2  GLN  26           HG2      GLN  26  -4.663   6.255  -2.408
  154    HG3  GLN  26           HG3      GLN  26  -5.056   6.671  -4.075
  155   HE21  GLN  26          HE21      GLN  26  -5.409   8.210  -1.718
  156   HE22  GLN  26          HE22      GLN  26  -7.081   8.560  -1.588
  157    H    VAL  27           H        VAL  27  -8.249   2.352  -2.469
  158    HA   VAL  27           HA       VAL  27  -6.684   0.032  -3.145
  159    HB   VAL  27           HB       VAL  27  -9.715   0.372  -3.118
  160   HG11  VAL  27          HG11      VAL  27  -8.033  -2.134  -3.168
  161   HG12  VAL  27          HG12      VAL  27  -8.978  -1.500  -4.508
  162   HG13  VAL  27          HG13      VAL  27  -9.794  -2.081  -3.051
  163   HG21  VAL  27          HG21      VAL  27  -7.883  -0.783  -1.012
  164   HG22  VAL  27          HG22      VAL  27  -9.645  -0.782  -0.950
  165   HG23  VAL  27          HG23      VAL  27  -8.761   0.740  -0.899
  166    H    LEU  28           H        LEU  28  -5.779   0.253  -5.045
  167    HA   LEU  28           HA       LEU  28  -7.118   1.510  -7.291
  168    HB2  LEU  28           HB2      LEU  28  -4.407   0.183  -7.092
  169    HB3  LEU  28           HB3      LEU  28  -4.997   1.067  -8.485
  170    HG   LEU  28           HG       LEU  28  -4.517   2.287  -5.754
  171   HD11  LEU  28          HD11      LEU  28  -2.593   3.362  -6.802
  172   HD12  LEU  28          HD12      LEU  28  -2.885   2.435  -8.276
  173   HD13  LEU  28          HD13      LEU  28  -2.426   1.608  -6.790
  174   HD21  LEU  28          HD21      LEU  28  -6.232   3.438  -7.044
  175   HD22  LEU  28          HD22      LEU  28  -5.112   3.503  -8.418
  176   HD23  LEU  28          HD23      LEU  28  -4.743   4.397  -6.940
  177    H    ASN  29           H        ASN  29  -6.099  -1.643  -6.245
  178    HA   ASN  29           HA       ASN  29  -7.882  -2.903  -8.146
  179    HB2  ASN  29           HB2      ASN  29  -4.972  -3.724  -7.737
  180    HB3  ASN  29           HB3      ASN  29  -6.171  -4.643  -8.626
  181   HD21  ASN  29          HD21      ASN  29  -4.030  -1.960  -8.688
  182   HD22  ASN  29          HD22      ASN  29  -4.193  -1.583 -10.361
  183    HA   PRO  30           HA       PRO  30  -8.873  -5.263  -4.525
  184    HB2  PRO  30           HB2      PRO  30  -8.186  -7.797  -5.925
  185    HB3  PRO  30           HB3      PRO  30  -9.696  -7.340  -5.120
  186    HG2  PRO  30           HG2      PRO  30  -9.563  -7.384  -7.772
  187    HG3  PRO  30           HG3      PRO  30 -10.436  -6.088  -6.937
  188    HD2  PRO  30           HD2      PRO  30  -7.724  -6.031  -8.201
  189    HD3  PRO  30           HD3      PRO  30  -8.990  -4.790  -8.215
  190    H    TYR  31           H        TYR  31  -5.900  -6.262  -6.158
  191    HA   TYR  31           HA       TYR  31  -4.842  -7.127  -3.549
  192    HB2  TYR  31           HB2      TYR  31  -3.657  -7.607  -6.292
  193    HB3  TYR  31           HB3      TYR  31  -3.165  -8.351  -4.781
  194    HD1  TYR  31           HD1      TYR  31  -4.391 -10.229  -3.870
  195    HD2  TYR  31           HD2      TYR  31  -5.759  -8.321  -7.412
  196    HE1  TYR  31           HE1      TYR  31  -5.906 -12.113  -4.294
  197    HE2  TYR  31           HE2      TYR  31  -7.287 -10.200  -7.841
  198    HH   TYR  31           HH       TYR  31  -7.962 -12.561  -5.488
  199    H    TYR  32           H        TYR  32  -4.426  -4.783  -6.114
  200    HA   TYR  32           HA       TYR  32  -2.060  -3.801  -4.751
  201    HB2  TYR  32           HB2      TYR  32  -1.901  -4.042  -7.199
  202    HB3  TYR  32           HB3      TYR  32  -3.166  -2.829  -7.374
  203    HD1  TYR  32           HD1      TYR  32  -0.022  -3.140  -5.380
  204    HD2  TYR  32           HD2      TYR  32  -2.354  -0.740  -8.026
  205    HE1  TYR  32           HE1      TYR  32   1.701  -1.401  -5.313
  206    HE2  TYR  32           HE2      TYR  32  -0.639   0.987  -7.969
  207    HH   TYR  32           HH       TYR  32   1.202   1.722  -6.544
  208    H    SER  33           H        SER  33  -2.294  -2.389  -3.208
  209    HA   SER  33           HA       SER  33  -4.256  -0.245  -3.558
  210    HB2  SER  33           HB2      SER  33  -3.423  -1.550  -0.939
  211    HB3  SER  33           HB3      SER  33  -4.651  -0.300  -1.144
  212    HG   SER  33           HG       SER  33  -5.660  -2.300  -1.002
  213    H    GLN  34           H        GLN  34  -3.396   1.833  -2.967
  214    HA   GLN  34           HA       GLN  34  -0.580   1.876  -2.153
  215    HB2  GLN  34           HB2      GLN  34  -0.408   1.881  -4.540
  216    HB3  GLN  34           HB3      GLN  34  -1.682   3.074  -4.693
  217    HG2  GLN  34           HG2      GLN  34  -0.241   4.769  -3.728
  218    HG3  GLN  34           HG3      GLN  34   1.016   3.560  -3.470
  219   HE21  GLN  34          HE21      GLN  34   2.303   2.955  -5.157
  220   HE22  GLN  34          HE22      GLN  34   2.245   3.707  -6.702
  221    H    CYS  35           H        CYS  35  -0.037   3.570  -0.865
  222    HA   CYS  35           HA       CYS  35  -2.119   5.282   0.113
  223    HB2  CYS  35           HB2      CYS  35   0.853   5.477   0.701
  224    HB3  CYS  35           HB3      CYS  35  -0.451   6.256   1.558
  225    H    LEU  36           H        LEU  36  -2.826   6.955  -0.906
  226    HA   LEU  36           HA       LEU  36  -0.989   8.863  -2.090
  227    HB2  LEU  36           HB2      LEU  36  -3.627   7.928  -3.245
  228    HB3  LEU  36           HB3      LEU  36  -2.697   9.272  -3.853
  229    HG   LEU  36           HG       LEU  36  -1.778   6.390  -3.879
  230   HD11  LEU  36          HD11      LEU  36  -3.611   6.715  -5.415
  231   HD12  LEU  36          HD12      LEU  36  -2.103   6.548  -6.309
  232   HD13  LEU  36          HD13      LEU  36  -2.826   8.142  -6.090
  233   HD21  LEU  36          HD21      LEU  36   0.015   7.212  -5.323
  234   HD22  LEU  36          HD22      LEU  36   0.080   7.979  -3.740
  235   HD23  LEU  36          HD23      LEU  36  -0.575   8.860  -5.122
  236    H2   BGC 101           H2       BGC 101   8.369   3.144   0.778
  237    H3   BGC 101           H3       BGC 101   6.000   1.257   1.049
  238    H4   BGC 101           H4       BGC 101   8.850   1.206   2.124
  239    H5   BGC 101           H5       BGC 101   6.115   1.546   3.522
  240   H6C1  BGC 101           H61      BGC 101   8.987   1.581   4.543
  241   H6C2  BGC 101           H62      BGC 101   7.705   0.450   5.045
  242    H1   BGC 101           H1       BGC 101   5.610   3.387   1.990
  243    HB   BGC 101           HO2      BGC 101   6.769   4.323  -0.404
  244    HC   BGC 101           HO3      BGC 101   7.182   1.118  -0.948
  245    HD   BGC 101           HO4      BGC 101   7.891  -0.819   1.561
  246    H6   BGC 101           HO6      BGC 101   7.160   3.196   5.299
  Start of MODEL   20
    1    H1   THR   1           H1       THR   1   4.840   2.423  10.059
    2    H2   THR   1           H2       THR   1   5.925   2.851   8.835
    3    H3   THR   1           H3       THR   1   5.024   1.440   8.691
    4    HA   THR   1           HA       THR   1   3.002   2.762   8.584
    5    HB   THR   1           HB       THR   1   4.886   5.126   8.478
    6    HG1  THR   1           HG1      THR   1   4.350   5.452  10.664
    7   HG21  THR   1          HG21      THR   1   2.834   6.377   9.008
    8   HG22  THR   1          HG22      THR   1   1.928   4.868   9.078
    9   HG23  THR   1          HG23      THR   1   2.612   5.414   7.546
   10    H    GLN   2           H        GLN   2   2.296   3.182   6.425
   11    HA   GLN   2           HA       GLN   2   4.313   2.501   4.483
   12    HB2  GLN   2           HB2      GLN   2   2.128   1.310   4.544
   13    HB3  GLN   2           HB3      GLN   2   1.337   2.820   4.111
   14    HG2  GLN   2           HG2      GLN   2   1.654   1.339   2.185
   15    HG3  GLN   2           HG3      GLN   2   2.501   2.878   2.003
   16   HE21  GLN   2          HE21      GLN   2   2.847  -0.522   2.484
   17   HE22  GLN   2          HE22      GLN   2   4.536  -0.605   2.156
   18    H    SER   3           H        SER   3   5.305   3.969   3.306
   19    HA   SER   3           HA       SER   3   4.676   6.681   3.414
   20    HB2  SER   3           HB2      SER   3   6.550   7.009   1.912
   21    HB3  SER   3           HB3      SER   3   6.985   5.854   3.155
   22    H    HIS   4           H        HIS   4   4.603   8.028   1.376
   23    HA   HIS   4           HA       HIS   4   2.127   7.601   0.084
   24    HB2  HIS   4           HB2      HIS   4   3.282   9.809   0.682
   25    HB3  HIS   4           HB3      HIS   4   4.344   9.515  -0.673
   26    HD1  HIS   4           HD1      HIS   4   3.557  11.678  -1.814
   27    HD2  HIS   4           HD2      HIS   4   0.512   8.960  -1.139
   28    HE1  HIS   4           HE1      HIS   4   1.533  12.605  -2.993
   29    HE2  HIS   4           HE2      HIS   4  -0.295  11.164  -2.254
   30    H    TYR   5           H        TYR   5   1.709   6.616  -1.803
   31    HA   TYR   5           HA       TYR   5   1.851   5.557  -3.711
   32    HB2  TYR   5           HB2      TYR   5   4.758   6.381  -3.914
   33    HB3  TYR   5           HB3      TYR   5   3.893   5.497  -5.146
   34    HD1  TYR   5           HD1      TYR   5   4.356   8.764  -3.615
   35    HD2  TYR   5           HD2      TYR   5   2.131   6.559  -6.475
   36    HE1  TYR   5           HE1      TYR   5   3.563  10.859  -4.605
   37    HE2  TYR   5           HE2      TYR   5   1.330   8.655  -7.475
   38    HH   TYR   5           HH       TYR   5   2.708  11.627  -6.815
   39    H    GLY   6           H        GLY   6   3.050   4.569  -0.968
   40    HA2  GLY   6           HA2      GLY   6   4.230   2.092  -1.884
   41    HA3  GLY   6           HA3      GLY   6   3.970   2.585  -0.214
   42    H    GLN   7           H        GLN   7   3.346   0.072  -0.793
   43    HA   GLN   7           HA       GLN   7   0.586  -0.134  -1.616
   44    HB2  GLN   7           HB2      GLN   7   2.228  -1.784  -2.408
   45    HB3  GLN   7           HB3      GLN   7   2.534  -2.271  -0.749
   46    HG2  GLN   7           HG2      GLN   7   0.254  -3.095  -0.555
   47    HG3  GLN   7           HG3      GLN   7  -0.090  -2.558  -2.196
   48   HE21  GLN   7          HE21      GLN   7  -0.589  -4.727  -2.872
   49   HE22  GLN   7          HE22      GLN   7   0.704  -5.825  -3.112
   50    H    CYS   8           H        CYS   8  -0.952   0.183  -0.244
   51    HA   CYS   8           HA       CYS   8  -0.396   0.117   2.623
   52    HB2  CYS   8           HB2      CYS   8  -2.558   1.343   2.768
   53    HB3  CYS   8           HB3      CYS   8  -1.272   2.140   1.861
   54    H    GLY   9           H        GLY   9  -1.210  -2.339   0.926
   55    HA2  GLY   9           HA2      GLY   9  -2.006  -4.249   2.341
   56    HA3  GLY   9           HA3      GLY   9  -3.193  -3.126   2.961
   57    H    GLY  10           H        GLY  10  -2.204  -4.851   0.104
   58    HA2  GLY  10           HA2      GLY  10  -4.978  -4.796  -0.862
   59    HA3  GLY  10           HA3      GLY  10  -3.562  -5.331  -1.761
   60    H    ILE  11           H        ILE  11  -5.440  -7.107  -1.911
   61    HA   ILE  11           HA       ILE  11  -5.738  -8.963   0.136
   62    HB   ILE  11           HB       ILE  11  -5.626  -9.481  -2.855
   63   HG12  ILE  11          HG12      ILE  11  -7.987  -9.058  -1.007
   64   HG13  ILE  11          HG13      ILE  11  -7.376  -7.885  -2.162
   65   HG21  ILE  11          HG21      ILE  11  -6.883 -11.552  -2.365
   66   HG22  ILE  11          HG22      ILE  11  -6.668 -11.246  -0.639
   67   HG23  ILE  11          HG23      ILE  11  -5.265 -11.556  -1.662
   68   HD11  ILE  11          HD11      ILE  11  -9.366  -8.987  -3.008
   69   HD12  ILE  11          HD12      ILE  11  -8.591 -10.561  -2.825
   70   HD13  ILE  11          HD13      ILE  11  -7.963  -9.405  -3.996
   71    H    GLY  12           H        GLY  12  -4.229 -10.030   1.225
   72    HA2  GLY  12           HA2      GLY  12  -2.627 -11.801   1.275
   73    HA3  GLY  12           HA3      GLY  12  -2.018 -11.238  -0.272
   74    H    TYR  13           H        TYR  13  -2.067  -8.446   0.593
   75    HA   TYR  13           HA       TYR  13   0.529  -8.525   1.901
   76    HB2  TYR  13           HB2      TYR  13   0.279  -7.249  -0.224
   77    HB3  TYR  13           HB3      TYR  13  -0.875  -6.191   0.576
   78    HD1  TYR  13           HD1      TYR  13   2.651  -7.172   0.382
   79    HD2  TYR  13           HD2      TYR  13  -0.123  -4.455   2.075
   80    HE1  TYR  13           HE1      TYR  13   4.513  -5.722   1.092
   81    HE2  TYR  13           HE2      TYR  13   1.704  -3.008   2.797
   82    HH   TYR  13           HH       TYR  13   4.857  -3.375   1.633
   83    H    SER  14           H        SER  14   0.343  -8.577   3.999
   84    HA   SER  14           HA       SER  14  -1.589  -6.838   5.332
   85    HB2  SER  14           HB2      SER  14  -0.244  -9.310   6.248
   86    HB3  SER  14           HB3      SER  14  -1.526  -8.470   7.132
   87    HG   SER  14           HG       SER  14  -2.545  -8.859   4.797
   88    H    GLY  15           H        GLY  15   1.110  -6.151   4.350
   89    HA2  GLY  15           HA2      GLY  15   2.869  -6.012   6.628
   90    HA3  GLY  15           HA3      GLY  15   3.148  -5.277   5.055
   91    HA   PRO  16           HA       PRO  16   2.179  -1.662   7.650
   92    HB2  PRO  16           HB2      PRO  16   3.368   0.157   5.944
   93    HB3  PRO  16           HB3      PRO  16   4.202  -0.655   7.269
   94    HG2  PRO  16           HG2      PRO  16   4.270  -1.232   4.355
   95    HG3  PRO  16           HG3      PRO  16   5.543  -1.419   5.568
   96    HD2  PRO  16           HD2      PRO  16   4.061  -3.489   4.537
   97    HD3  PRO  16           HD3      PRO  16   4.862  -3.529   6.117
   98    H    THR  17           H        THR  17   0.060  -1.521   7.354
   99    HA   THR  17           HA       THR  17  -0.978  -0.929   4.709
  100    HB   THR  17           HB       THR  17  -3.179  -1.570   5.730
  101    HG1  THR  17           HG1      THR  17  -3.226  -2.365   7.737
  102   HG21  THR  17          HG21      THR  17  -2.689  -3.972   5.766
  103   HG22  THR  17          HG22      THR  17  -0.976  -3.623   5.995
  104   HG23  THR  17          HG23      THR  17  -1.757  -3.187   4.483
  105    H    VAL  18           H        VAL  18  -0.486   0.502   7.787
  106    HA   VAL  18           HA       VAL  18  -2.481   2.547   7.394
  107    HB   VAL  18           HB       VAL  18  -0.261   2.396   9.457
  108   HG11  VAL  18          HG11      VAL  18  -1.604   4.010  10.728
  109   HG12  VAL  18          HG12      VAL  18  -2.751   4.090   9.390
  110   HG13  VAL  18          HG13      VAL  18  -1.096   4.659   9.169
  111   HG21  VAL  18          HG21      VAL  18  -3.153   1.572   9.698
  112   HG22  VAL  18          HG22      VAL  18  -1.978   1.596  11.014
  113   HG23  VAL  18          HG23      VAL  18  -1.765   0.487   9.660
  114    H    CYS  19           H        CYS  19  -2.144   4.286   6.234
  115    HA   CYS  19           HA       CYS  19   0.407   4.696   5.013
  116    HB2  CYS  19           HB2      CYS  19  -2.182   6.224   4.722
  117    HB3  CYS  19           HB3      CYS  19  -0.745   6.405   3.721
  118    H    ALA  20           H        ALA  20   1.505   6.633   4.970
  119    HA   ALA  20           HA       ALA  20   2.122   7.859   7.361
  120    HB1  ALA  20           HB1      ALA  20   3.585   7.854   5.393
  121    HB2  ALA  20           HB2      ALA  20   3.347   9.489   6.014
  122    HB3  ALA  20           HB3      ALA  20   2.481   8.956   4.574
  123    H    SER  21           H        SER  21   1.764   9.968   8.127
  124    HA   SER  21           HA       SER  21  -0.839  10.825   8.290
  125    HB2  SER  21           HB2      SER  21   1.615  12.524   8.687
  126    HB3  SER  21           HB3      SER  21   0.091  12.587   9.578
  127    HG   SER  21           HG       SER  21   1.419  11.491  10.871
  128    H    GLY  22           H        GLY  22  -2.031  11.610   6.662
  129    HA2  GLY  22           HA2      GLY  22  -2.514  13.597   5.375
  130    HA3  GLY  22           HA3      GLY  22  -0.805  13.662   4.953
  131    H    THR  23           H        THR  23  -1.345  10.525   4.786
  132    HA   THR  23           HA       THR  23  -2.270  10.713   1.995
  133    HB   THR  23           HB       THR  23  -0.832   8.745   1.445
  134    HG1  THR  23           HG1      THR  23  -0.338   8.894   4.196
  135   HG21  THR  23          HG21      THR  23   0.035  11.002   1.085
  136   HG22  THR  23          HG22      THR  23   1.322   9.899   1.568
  137   HG23  THR  23          HG23      THR  23   0.651  11.034   2.738
  138    H    THR  24           H        THR  24  -3.610   9.035   1.237
  139    HA   THR  24           HA       THR  24  -4.747   7.366   3.374
  140    HB   THR  24           HB       THR  24  -6.963   7.633   2.081
  141    HG1  THR  24           HG1      THR  24  -5.472   9.073   0.448
  142   HG21  THR  24          HG21      THR  24  -6.568   8.583   4.310
  143   HG22  THR  24          HG22      THR  24  -7.504   9.693   3.306
  144   HG23  THR  24          HG23      THR  24  -5.788   9.982   3.574
  145    H    CYS  25           H        CYS  25  -5.457   5.299   2.841
  146    HA   CYS  25           HA       CYS  25  -3.982   4.105   0.729
  147    HB2  CYS  25           HB2      CYS  25  -4.350   2.970   2.865
  148    HB3  CYS  25           HB3      CYS  25  -6.083   2.928   2.535
  149    H    GLN  26           H        GLN  26  -4.586   4.141  -1.341
  150    HA   GLN  26           HA       GLN  26  -7.428   4.115  -1.968
  151    HB2  GLN  26           HB2      GLN  26  -5.085   4.542  -3.818
  152    HB3  GLN  26           HB3      GLN  26  -6.778   4.820  -4.173
  153    HG2  GLN  26           HG2      GLN  26  -5.050   6.367  -2.276
  154    HG3  GLN  26           HG3      GLN  26  -5.639   6.912  -3.840
  155   HE21  GLN  26          HE21      GLN  26  -5.915   8.132  -1.322
  156   HE22  GLN  26          HE22      GLN  26  -7.586   8.284  -0.951
  157    H    VAL  27           H        VAL  27  -8.248   2.231  -2.698
  158    HA   VAL  27           HA       VAL  27  -6.399   0.057  -3.216
  159    HB   VAL  27           HB       VAL  27  -9.434   0.000  -3.295
  160   HG11  VAL  27          HG11      VAL  27  -9.173  -2.440  -3.118
  161   HG12  VAL  27          HG12      VAL  27  -7.421  -2.237  -3.131
  162   HG13  VAL  27          HG13      VAL  27  -8.358  -1.805  -4.554
  163   HG21  VAL  27          HG21      VAL  27  -9.310  -1.042  -1.070
  164   HG22  VAL  27          HG22      VAL  27  -8.659   0.599  -1.064
  165   HG23  VAL  27          HG23      VAL  27  -7.565  -0.782  -1.059
  166    H    LEU  28           H        LEU  28  -5.512   0.152  -5.119
  167    HA   LEU  28           HA       LEU  28  -6.903   1.306  -7.397
  168    HB2  LEU  28           HB2      LEU  28  -4.132   0.120  -7.198
  169    HB3  LEU  28           HB3      LEU  28  -4.765   0.984  -8.577
  170    HG   LEU  28           HG       LEU  28  -4.226   2.179  -5.854
  171   HD11  LEU  28          HD11      LEU  28  -2.779   2.458  -8.481
  172   HD12  LEU  28          HD12      LEU  28  -2.205   1.609  -7.044
  173   HD13  LEU  28          HD13      LEU  28  -2.419   3.357  -7.005
  174   HD21  LEU  28          HD21      LEU  28  -4.618   4.299  -6.944
  175   HD22  LEU  28          HD22      LEU  28  -6.073   3.287  -7.000
  176   HD23  LEU  28          HD23      LEU  28  -5.039   3.455  -8.434
  177    H    ASN  29           H        ASN  29  -5.377  -1.723  -6.474
  178    HA   ASN  29           HA       ASN  29  -7.009  -3.146  -8.455
  179    HB2  ASN  29           HB2      ASN  29  -4.175  -3.895  -7.551
  180    HB3  ASN  29           HB3      ASN  29  -5.195  -4.820  -8.629
  181   HD21  ASN  29          HD21      ASN  29  -4.723  -1.349  -8.843
  182   HD22  ASN  29          HD22      ASN  29  -3.837  -1.389 -10.328
  183    HA   PRO  30           HA       PRO  30  -8.296  -5.348  -4.823
  184    HB2  PRO  30           HB2      PRO  30  -7.497  -7.952  -6.021
  185    HB3  PRO  30           HB3      PRO  30  -9.067  -7.443  -5.398
  186    HG2  PRO  30           HG2      PRO  30  -8.669  -7.634  -8.004
  187    HG3  PRO  30           HG3      PRO  30  -9.623  -6.294  -7.337
  188    HD2  PRO  30           HD2      PRO  30  -6.793  -6.317  -8.304
  189    HD3  PRO  30           HD3      PRO  30  -8.037  -5.083  -8.558
  190    H    TYR  31           H        TYR  31  -5.210  -6.466  -6.182
  191    HA   TYR  31           HA       TYR  31  -4.325  -7.098  -3.454
  192    HB2  TYR  31           HB2      TYR  31  -3.015  -7.632  -6.132
  193    HB3  TYR  31           HB3      TYR  31  -2.315  -8.042  -4.582
  194    HD1  TYR  31           HD1      TYR  31  -5.579  -8.607  -6.362
  195    HD2  TYR  31           HD2      TYR  31  -2.466 -10.244  -3.988
  196    HE1  TYR  31           HE1      TYR  31  -6.671 -10.800  -6.456
  197    HE2  TYR  31           HE2      TYR  31  -3.546 -12.424  -4.060
  198    HH   TYR  31           HH       TYR  31  -6.105 -13.101  -6.213
  199    H    TYR  32           H        TYR  32  -3.845  -4.785  -6.007
  200    HA   TYR  32           HA       TYR  32  -1.650  -3.665  -4.476
  201    HB2  TYR  32           HB2      TYR  32  -1.267  -3.925  -6.909
  202    HB3  TYR  32           HB3      TYR  32  -2.533  -2.734  -7.212
  203    HD1  TYR  32           HD1      TYR  32  -1.870  -0.524  -7.527
  204    HD2  TYR  32           HD2      TYR  32   0.543  -3.105  -5.151
  205    HE1  TYR  32           HE1      TYR  32  -0.243   1.291  -7.211
  206    HE2  TYR  32           HE2      TYR  32   2.179  -1.310  -4.834
  207    HH   TYR  32           HH       TYR  32   2.867   0.672  -5.749
  208    H    SER  33           H        SER  33  -2.079  -2.274  -2.986
  209    HA   SER  33           HA       SER  33  -4.140  -0.265  -3.477
  210    HB2  SER  33           HB2      SER  33  -3.214  -1.449  -0.828
  211    HB3  SER  33           HB3      SER  33  -4.489  -0.247  -1.038
  212    HG   SER  33           HG       SER  33  -5.736  -1.928  -1.172
  213    H    GLN  34           H        GLN  34  -3.431   1.889  -2.968
  214    HA   GLN  34           HA       GLN  34  -0.581   2.129  -2.322
  215    HB2  GLN  34           HB2      GLN  34  -0.699   2.180  -4.723
  216    HB3  GLN  34           HB3      GLN  34  -2.002   3.356  -4.677
  217    HG2  GLN  34           HG2      GLN  34  -0.501   5.020  -3.770
  218    HG3  GLN  34           HG3      GLN  34   0.797   3.825  -3.730
  219   HE21  GLN  34          HE21      GLN  34   1.854   3.326  -5.576
  220   HE22  GLN  34          HE22      GLN  34   1.596   4.137  -7.079
  221    H    CYS  35           H        CYS  35  -0.102   3.775  -0.992
  222    HA   CYS  35           HA       CYS  35  -2.232   5.338   0.134
  223    HB2  CYS  35           HB2      CYS  35   0.745   5.687   0.623
  224    HB3  CYS  35           HB3      CYS  35  -0.568   6.361   1.548
  225    H    LEU  36           H        LEU  36  -3.042   7.051  -0.704
  226    HA   LEU  36           HA       LEU  36  -1.415   9.109  -1.930
  227    HB2  LEU  36           HB2      LEU  36  -4.004   8.010  -3.077
  228    HB3  LEU  36           HB3      LEU  36  -3.137   9.400  -3.677
  229    HG   LEU  36           HG       LEU  36  -2.110   6.564  -3.772
  230   HD11  LEU  36          HD11      LEU  36  -4.010   6.854  -5.251
  231   HD12  LEU  36          HD12      LEU  36  -2.521   6.748  -6.188
  232   HD13  LEU  36          HD13      LEU  36  -3.287   8.313  -5.922
  233   HD21  LEU  36          HD21      LEU  36  -0.398   7.496  -5.249
  234   HD22  LEU  36          HD22      LEU  36  -0.327   8.225  -3.645
  235   HD23  LEU  36          HD23      LEU  36  -1.055   9.111  -4.988
  236    H2   BGC 101           H2       BGC 101   8.385   3.183   0.327
  237    H3   BGC 101           H3       BGC 101   6.161   1.211   0.924
  238    H4   BGC 101           H4       BGC 101   9.059   1.404   1.865
  239    H5   BGC 101           H5       BGC 101   6.373   1.790   3.355
  240   H6C1  BGC 101           H61      BGC 101   9.292   1.910   4.223
  241   H6C2  BGC 101           H62      BGC 101   7.987   0.949   4.943
  242    H1   BGC 101           H1       BGC 101   5.695   3.402   1.699
  243    HB   BGC 101           HO2      BGC 101   6.689   4.110  -0.928
  244    HC   BGC 101           HO3      BGC 101   7.169   1.058  -1.028
  245    HD   BGC 101           HO4      BGC 101   8.414  -0.418   3.148
  246    H6   BGC 101           HO6      BGC 101   6.968   2.852   5.666