*HEADER    HYDROLASE                               04-FEB-17   5X35              
*TITLE     SOLUTION STRUCTURE OF THE FAMILY 1 CARBOHYDRATE-BINDING MODULE WITH   
*TITLE    2 MANNOSYLATED THR1                                                    
*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 5X35    0                                                
# Restraints file 1: all.tbl
assign (resid   24 and name   HN) (resid   36 and name   HN) 2.65 0.85 0.85 ! 0.0000    0:1  Long   2.72, 2.90 A
assign (resid   13 and name   HN) (resid   12 and name   HN) 2.65 0.85 0.85 ! 0.9810    1:1  Seq    2.10, 2.32 A
assign (resid    4 and name  HD2) (resid    5 and name   HN) 2.65 0.85 0.85 ! 0.9842    2:1  Seq    2.29, 2.99 A
assign (resid    5 and name   HN) (resid    6 and name   HN) 3.15 1.35 1.35 ! 0.0000    4:1  Seq    2.46, 2.57 A
assign (resid   23 and name   HN) (resid   22 and name   HN) 2.65 0.85 0.85 ! 0.9989    5:1  Seq    2.14, 2.42 A
assign (resid   20 and name   HN) (resid   21 and name   HN) 3.65 1.85 1.85 ! 0.5271    6:1  Ambig  4.33, 4.53 A
    or (resid   20 and name   HN) (resid   19 and name   HN)                ! 0.4729    6:1  -----  4.41, 4.50 A
assign (resid   32 and name   HN) (resid   31 and name   HN) 2.30 0.50 0.50 ! 0.9926    7:1  Seq    2.07, 2.19 A
assign (resid   18 and name   HN) (resid   17 and name   HN) 2.65 0.85 0.85 ! 0.0000    8:1  Seq    2.13, 2.41 A
assign (resid   31 and name  HD*) (resid   31 and name   HN) 2.65 0.85 0.85 ! 0.0000   10:1  Intra  2.21, 3.67 A
assign (resid    9 and name   HN) (resid   10 and name   HN) 3.65 1.85 1.85 ! 0.8250   11:1  Seq    2.45, 3.16 A
assign (resid   12 and name   HN) (resid   13 and name   HN) 2.65 0.85 0.85 ! 0.9810   12:1  Seq    2.10, 2.32 A
assign (resid   22 and name   HN) (resid   23 and name   HN) 2.65 0.85 0.85 ! 0.0000   13:1  Seq    2.14, 2.42 A
assign (resid   31 and name   HN) (resid   32 and name   HN) 2.30 0.50 0.50 ! 0.0000   14:1  Seq    2.07, 2.19 A
assign (resid   29 and name   HN) (resid   32 and name   HN) 3.15 1.35 1.35 ! 0.5472   15:1  Ambig  3.15, 3.48 A
    or (resid   10 and name   HN) (resid   13 and name   HN)                ! 0.2973   15:1  -----  3.48, 3.85 A
assign (resid    9 and name   HN) (resid    8 and name   HN) 2.30 0.50 0.50 ! 0.9088   18:1  Seq    2.62, 2.76 A
assign (resid   34 and name   HN) (resid   33 and name   HN) 3.65 1.85 1.85 ! 0.7305   21:1  Ambig  4.23, 4.35 A
    or (resid   34 and name   HN) (resid    9 and name   HN)                ! 0.2695   21:1  -----  4.99, 5.29 A
assign (resid   31 and name   HN) (resid   31 and name  HD*) 2.65 0.85 0.85 ! 0.9855   23:1  Intra  2.21, 3.67 A
assign (resid   17 and name   HN) (resid   18 and name   HN) 2.65 0.85 0.85 ! 0.0000   24:1  Seq    2.13, 2.41 A
assign (resid   13 and name   HN) (resid   13 and name  HD*) 3.65 1.85 1.85 ! 0.6926   25:1  Ambig  4.63, 4.80 A
    or (resid    8 and name   HN) (resid   13 and name  HD*)                ! 0.2248   25:1  -----  5.58, 6.53 A
assign (resid   31 and name  HE*) (resid   31 and name  HD*) 2.30 0.50 0.50 ! 0.0000   33:1  Intra  2.43, 3.68 A
assign (resid   32 and name  HE*) (resid   32 and name  HD*) 2.30 0.50 0.50 ! 0.0000   35:1  Intra  2.44, 3.69 A
assign (resid    5 and name   HN) (resid    4 and name  HD2) 2.65 0.85 0.85 ! 0.8819   36:1  Ambig  2.29, 2.99 A
    or (resid    5 and name   HN) (resid    5 and name  HD1)                ! 0.0000   36:1  -----  0.00, 0.00 A
    or (resid    5 and name   HN) (resid    5 and name  HD2)                ! 0.0000   36:1  -----  0.00, 0.00 A
assign (resid    4 and name  HE1) (resid    5 and name  HE*) 3.65 1.85 1.85 ! 0.0000   38:1  Seq    2.22, 4.42 A
assign (resid   34 and name HE21) (resid    5 and name  HD*) 3.15 1.35 1.35 ! 0.9918   39:1  Long   2.52, 5.07 A
assign (resid    8 and name   HN) (resid    9 and name   HN) 2.65 0.85 0.85 ! 0.9088   40:1  Seq    2.62, 2.76 A
assign (resid   32 and name   HN) (resid   33 and name   HN) 3.15 1.35 1.35 ! 0.0000   41:1  Seq    4.21, 4.26 A
assign (resid   31 and name  HD*) (resid   31 and name  HE*) 2.30 0.50 0.50 ! 0.0000   45:1  Intra  2.43, 3.68 A
assign (resid   32 and name  HD*) (resid   32 and name  HE*) 2.30 0.50 0.50 ! 0.0000   47:1  Intra  2.44, 3.69 A
assign (resid    5 and name  HD*) (resid    5 and name  HE*) 2.30 0.50 0.50 ! 0.0000   48:1  Intra  2.44, 3.68 A
assign (resid    5 and name  HE*) (resid    5 and name  HD*) 2.30 0.50 0.50 ! 0.9678   49:1  Intra  2.44, 3.68 A
assign (resid   24 and name   HN) (resid   35 and name   HA) 3.65 1.85 1.85 ! 0.0000   50:1  Long   3.91, 4.17 A
assign (resid   34 and name   HN) (resid   33 and name   HA) 2.30 0.50 0.50 ! 0.9967   52:1  Seq    2.19, 2.28 A
assign (resid   36 and name   HN) (resid   35 and name   HA) 2.30 0.50 0.50 ! 0.9940   53:1  Seq    2.04, 2.08 A
assign (resid   26 and name   HN) (resid   35 and name   HA) 3.15 1.35 1.35 ! 0.0000   54:1  Long   3.08, 3.19 A
assign (resid    3 and name   HN) (resid    8 and name   HA) 4.15 2.35 2.35 ! 0.0000   56:1  Long   5.65, 6.07 A
assign (resid   28 and name   HN) (resid   33 and name   HA) 2.65 0.85 0.85 ! 0.9917   57:1  Long   2.00, 2.19 A
assign (resid   31 and name   HN) (resid   29 and name   HA) 3.65 1.85 1.85 ! 0.6098   58:1  Ambig  4.24, 4.44 A
    or (resid   28 and name   HN) (resid   29 and name   HA)                ! 0.3711   58:1  -----  4.60, 4.91 A
assign (resid   14 and name   HN) (resid   15 and name   HN) 3.15 1.35 1.35 ! 0.9992   60:1  Seq    2.02, 2.31 A
assign (resid   35 and name   HN) (resid   35 and name   HA) 3.15 1.35 1.35 ! 0.0000   61:1  Intra  2.84, 2.85 A
assign (resid   29 and name   HN) (resid   29 and name   HA) 3.15 1.35 1.35 ! 0.0000   62:1  Intra  2.81, 2.93 A
assign (resid    8 and name   HN) (resid    8 and name   HA) 3.65 1.85 1.85 ! 0.9453   64:1  Intra  2.81, 2.86 A
assign (resid   33 and name   HN) (resid   33 and name   HA) 3.15 1.35 1.35 ! 0.5633   65:1  Ambig  2.92, 2.93 A
    or (resid    9 and name   HN) (resid    8 and name   HA)                ! 0.3973   65:1  -----  3.09, 3.54 A
assign (resid   13 and name  HE*) (resid   15 and name   HN) 3.15 1.35 1.35 ! 0.9158   66:1  Mid    2.53, 4.05 A
assign (resid   24 and name   HN) (resid   23 and name   HA) 2.65 0.85 0.85 ! 0.0000   67:1  Seq    2.18, 2.25 A
assign (resid   24 and name   HN) (resid   25 and name   HA) 3.65 1.85 1.85 ! 0.8761   68:1  Seq    4.69, 4.96 A
assign (resid   24 and name   HN) (resid   24 and name   HA) 2.65 0.85 0.85 ! 0.8559   69:1  Intra  2.92, 2.93 A
assign (resid   36 and name   HN) (resid   23 and name   HA) 3.15 1.35 1.35 ! 0.7593   70:1  Ambig  4.44, 4.52 A
    or (resid   34 and name   HN) (resid   28 and name   HA)                ! 0.2407   70:1  -----  5.38, 5.56 A
assign (resid   36 and name   HN) (resid   25 and name   HA) 2.65 0.85 0.85 ! 0.8033   72:1  Long   2.88, 3.53 A
assign (resid   26 and name   HN) (resid   25 and name   HA) 2.30 0.50 0.50 ! 0.8976   73:1  Seq    2.01, 2.15 A
assign (resid    2 and name   HN) (resid   19 and name   HA) 3.65 1.85 1.85 ! 0.9987   74:1  Long   2.34, 2.70 A
assign (resid   36 and name   HN) (resid   36 and name   HA) 2.65 0.85 0.85 ! 0.9098   75:1  Intra  2.87, 2.90 A
assign (resid   12 and name   HN) (resid   12 and name  HA1) 2.65 0.85 0.85 ! 0.9102   76:1  Intra  2.92, 2.94 A
assign (resid    2 and name HE21) (resid   17 and name   HA) 3.65 1.85 1.85 ! 0.8915   77:1  Long   3.89, 4.77 A
assign (resid   28 and name   HN) (resid   28 and name   HA) 2.65 0.85 0.85 ! 0.9590   78:1  Intra  2.85, 2.90 A
assign (resid   25 and name   HN) (resid   25 and name   HA) 3.15 1.35 1.35 ! 0.9510   79:1  Intra  2.86, 2.88 A
assign (resid   27 and name   HN) (resid   26 and name   HA) 2.30 0.50 0.50 ! 0.9845   80:1  Seq    2.00, 2.05 A
assign (resid    3 and name   HN) (resid   19 and name   HA) 3.65 1.85 1.85 ! 0.0000   81:1  Long   5.02, 5.14 A
assign (resid   25 and name   HN) (resid   24 and name   HA) 2.30 0.50 0.50 ! 0.9860   82:1  Seq    2.20, 2.29 A
assign (resid    3 and name   HN) (resid    3 and name   HA) 3.15 1.35 1.35 ! 0.0000   83:1  Intra  2.79, 2.87 A
assign (resid    4 and name   HN) (resid    3 and name   HA) 2.65 0.85 0.85 ! 0.9986   84:1  Seq    2.27, 2.37 A
assign (resid   21 and name   HN) (resid   20 and name   HA) 2.30 0.50 0.50 ! 0.9906   85:1  Seq    2.21, 2.43 A
assign (resid   22 and name   HN) (resid   22 and name  HA1) 2.65 0.85 0.85 ! 0.9802   86:1  Intra  2.83, 2.89 A
assign (resid    6 and name   HN) (resid    6 and name  HA2) 2.65 0.85 0.85 ! 0.9302   87:1  Intra  2.89, 2.92 A
assign (resid    7 and name   HN) (resid    6 and name  HA2) 2.30 0.50 0.50 ! 0.7921   88:1  Ambig  2.29, 2.40 A
    or (resid    7 and name   HN) (resid    7 and name   HA)                ! 0.2079   88:1  -----  2.86, 2.89 A
assign (resid   22 and name   HN) (resid   21 and name   HA) 2.30 0.50 0.50 ! 0.0000   89:1  Seq    2.07, 2.15 A
assign (resid   21 and name   HN) (resid   21 and name   HA) 2.65 0.85 0.85 ! 0.8208   90:1  Intra  2.71, 2.76 A
assign (resid   29 and name   HN) (resid   28 and name   HA) 3.15 1.35 1.35 ! 0.9478   91:1  Seq    3.44, 3.47 A
assign (resid   17 and name   HN) (resid   17 and name   HA) 3.15 1.35 1.35 ! 0.0000   92:1  Intra  2.78, 2.86 A
assign (resid   14 and name   HN) (resid   13 and name   HA) 2.30 0.50 0.50 ! 0.9930   93:1  Seq    2.13, 2.19 A
assign (resid   35 and name   HN) (resid   25 and name   HA) 3.15 1.35 1.35 ! 0.9751   94:1  Long   4.01, 4.36 A
assign (resid   17 and name   HN) (resid   17 and name   HB) 3.15 1.35 1.35 ! 0.0000   95:1  Intra  3.46, 3.54 A
assign (resid    4 and name  HE1) (resid   36 and name   HA) 3.65 1.85 1.85 ! 0.6417   96:1  Ambig  4.37, 4.95 A
    or (resid   35 and name   HN) (resid   36 and name   HA)                ! 0.2114   96:1  -----  5.26, 5.43 A
assign (resid   17 and name   HN) (resid   16 and name   HA) 2.30 0.50 0.50 ! 0.9958   97:1  Seq    2.11, 2.18 A
assign (resid   11 and name   HN) (resid   31 and name   HA) 2.65 0.85 0.85 ! 0.0000  102:1  Long   1.92, 2.11 A
assign (resid   35 and name   HN) (resid    7 and name   HA) 3.15 1.35 1.35 ! 0.8548  103:1  Long   3.50, 3.69 A
assign (resid   10 and name   HN) (resid    9 and name  HA1) 2.65 0.85 0.85 ! 0.8689  104:1  Seq    3.34, 3.43 A
assign (resid   10 and name   HN) (resid   10 and name  HA2) 2.65 0.85 0.85 ! 0.9183  105:1  Intra  2.89, 2.92 A
assign (resid    8 and name   HN) (resid   17 and name   HA) 3.65 1.85 1.85 ! 0.0000  107:1  Long   5.09, 5.38 A
assign (resid   23 and name   HN) (resid   23 and name   HA) 3.15 1.35 1.35 ! 0.0000  108:1  Intra  2.93, 2.95 A
assign (resid   13 and name   HN) (resid   13 and name   HA) 2.65 0.85 0.85 ! 0.9175  109:1  Intra  2.90, 2.93 A
assign (resid   23 and name   HN) (resid   22 and name  HA1) 3.15 1.35 1.35 ! 0.9226  114:1  Seq    3.25, 3.37 A
assign (resid    8 and name   HN) (resid    7 and name   HA) 2.30 0.50 0.50 ! 0.9039  115:1  Seq    2.03, 2.09 A
assign (resid   23 and name   HN) (resid   21 and name   HA) 3.15 1.35 1.35 ! 0.0000  116:1  Mid    3.34, 3.67 A
assign (resid   32 and name   HN) (resid   32 and name   HA) 3.15 1.35 1.35 ! 0.0000  117:1  Intra  2.90, 2.91 A
assign (resid   20 and name   HN) (resid   19 and name   HA) 2.30 0.50 0.50 ! 0.9987  118:1  Seq    2.22, 2.49 A
assign (resid   20 and name   HN) (resid    3 and name   HA) 3.65 1.85 1.85 ! 0.0000  119:1  Long   3.33, 3.86 A
assign (resid   32 and name   HN) (resid   31 and name   HA) 3.15 1.35 1.35 ! 0.0000  120:1  Seq    3.44, 3.48 A
assign (resid   20 and name   HN) (resid   20 and name   HA) 2.65 0.85 0.85 ! 0.9972  121:1  Intra  2.70, 2.80 A
assign (resid   32 and name   HN) (resid   30 and name   HA) 3.65 1.85 1.85 ! 0.0000  122:1  Mid    4.50, 4.67 A
assign (resid   20 and name   HN) (resid    1 and name   HB) 3.65 1.85 1.85 ! 0.9733  123:1  Long   3.41, 4.25 A
assign (resid   18 and name   HN) (resid   16 and name   HA) 3.15 1.35 1.35 ! 0.0000  124:1  Mid    3.27, 3.46 A
assign (resid    7 and name HE21) (resid   32 and name   HA) 3.15 1.35 1.35 ! 0.9901  125:1  Long   2.08, 3.01 A
assign (resid    7 and name HE22) (resid   32 and name   HA) 3.65 1.85 1.85 ! 0.9297  126:1  Long   2.99, 3.57 A
assign (resid   31 and name  HD*) (resid   31 and name   HA) 2.65 0.85 0.85 ! 0.0000  127:1  Intra  2.65, 3.56 A
assign (resid    7 and name HE21) (resid   10 and name  HA2) 3.65 1.85 1.85 ! 0.6085  128:1  Ambig  4.09, 4.35 A
    or (resid    7 and name HE21) (resid    7 and name   HA)                ! 0.2238  128:1  -----  4.84, 5.03 A
assign (resid    7 and name HE22) (resid   10 and name  HA2) 4.15 2.35 2.35 ! 0.6560  129:1  Ambig  3.82, 5.37 A
    or (resid    7 and name HE22) (resid   12 and name  HA1)                ! 0.2625  129:1  -----  4.45, 5.63 A
assign (resid   32 and name  HD*) (resid   32 and name   HA) 2.65 0.85 0.85 ! 0.7420  130:1  Ambig  2.31, 3.44 A
    or (resid   13 and name  HD*) (resid   13 and name   HA)                ! 0.2478  130:1  -----  2.77, 3.54 A
assign (resid   33 and name   HN) (resid   32 and name   HA) 2.30 0.50 0.50 ! 0.9996  131:1  Seq    1.99, 2.06 A
assign (resid    4 and name  HD2) (resid   36 and name   HA) 2.65 0.85 0.85 ! 0.9991  132:1  Long   1.92, 2.10 A
assign (resid    9 and name   HN) (resid    9 and name  HA1) 2.65 0.85 0.85 ! 0.7257  133:1  Ambig  2.71, 2.77 A
    or (resid    9 and name   HN) (resid    7 and name   HA)                ! 0.1469  133:1  -----  3.54, 4.29 A
assign (resid   13 and name  HD*) (resid    9 and name  HA1) 2.65 0.85 0.85 ! 0.0000  134:1  Mid    2.55, 5.07 A
assign (resid   32 and name  HE*) (resid    7 and name   HA) 3.65 1.85 1.85 ! 0.8352  135:1  Long   3.84, 4.87 A
assign (resid    5 and name   HN) (resid    4 and name   HA) 2.30 0.50 0.50 ! 0.0000  136:1  Seq    2.13, 2.19 A
assign (resid   24 and name   HN) (resid   23 and name   HB) 2.65 0.85 0.85 ! 0.0000  137:1  Seq    2.52, 2.76 A
assign (resid    2 and name   HN) (resid    1 and name   HA) 2.65 0.85 0.85 ! 0.9910  138:1  Seq    2.20, 2.50 A
assign (resid   34 and name   HN) (resid   27 and name   HA) 3.15 1.35 1.35 ! 0.8645  139:1  Long   3.36, 3.64 A
assign (resid   12 and name   HN) (resid   11 and name   HA) 2.30 0.50 0.50 ! 0.9931  140:1  Seq    2.06, 2.11 A
assign (resid   34 and name   HN) (resid   33 and name  HB1) 2.65 0.85 0.85 ! 0.9951  141:1  Seq    2.95, 3.20 A
assign (resid   26 and name   HN) (resid   33 and name  HB1) 3.65 1.85 1.85 ! 0.0000  142:1  Long   3.95, 4.42 A
assign (resid    6 and name   HN) (resid    5 and name   HA) 2.65 0.85 0.85 ! 0.0000  143:1  Seq    2.44, 3.05 A
assign (resid   19 and name   HN) (resid   18 and name   HA) 2.30 0.50 0.50 ! 0.9946  144:1  Seq    2.06, 2.17 A
assign (resid   28 and name   HN) (resid   27 and name   HA) 2.30 0.50 0.50 ! 0.8489  145:1  Seq    2.13, 2.16 A
assign (resid    4 and name   HN) (resid    3 and name  HB1) 2.30 0.50 0.50 ! 0.5705  146:1  Ambig  2.24, 2.53 A
    or (resid   25 and name   HN) (resid   24 and name   HB)                ! 0.2743  146:1  -----  2.53, 2.81 A
assign (resid    3 and name   HN) (resid    3 and name  HB1) 3.15 1.35 1.35 ! 0.0000  147:1  Intra  3.48, 3.55 A
assign (resid   31 and name   HN) (resid   30 and name  HD1) 3.15 1.35 1.35 ! 0.0000  148:1  Seq    3.82, 3.99 A
assign (resid    3 and name   HN) (resid    3 and name  HB2) 3.15 1.35 1.35 ! 0.0000  149:1  Intra  2.41, 2.47 A
assign (resid    4 and name   HN) (resid    3 and name  HB2) 3.15 1.35 1.35 ! 0.9730  150:1  Seq    3.41, 3.55 A
assign (resid   22 and name   HN) (resid   21 and name  HB*) 3.15 1.35 1.35 ! 0.0000  151:1  Seq    3.44, 3.99 A
assign (resid   21 and name   HN) (resid   21 and name  HB*) 2.30 0.50 0.50 ! 0.9819  152:1  Intra  2.45, 3.01 A
assign (resid   31 and name   HN) (resid   30 and name  HD2) 3.15 1.35 1.35 ! 0.0000  153:1  Seq    2.47, 2.70 A
assign (resid   19 and name   HN) (resid   19 and name  HB1) 3.15 1.35 1.35 ! 0.9431  155:1  Intra  3.54, 3.57 A
assign (resid   22 and name   HN) (resid   22 and name  HA2) 2.65 0.85 0.85 ! 0.9721  156:1  Intra  2.28, 2.33 A
assign (resid   28 and name   HN) (resid   33 and name  HB1) 3.15 1.35 1.35 ! 0.5982  157:1  Ambig  3.91, 4.22 A
    or (resid   27 and name   HN) (resid   33 and name  HB1)                ! 0.4018  157:1  -----  4.18, 4.45 A
assign (resid    3 and name   HN) (resid    6 and name  HA1) 3.15 1.35 1.35 ! 0.9685  158:1  Mid    3.42, 3.69 A
assign (resid    2 and name HE21) (resid   16 and name  HD2) 3.65 1.85 1.85 ! 0.7268  159:1  Ambig  3.15, 3.71 A
    or (resid    2 and name HE21) (resid    6 and name  HA1)                ! 0.1513  159:1  -----  4.10, 4.79 A
assign (resid    6 and name   HN) (resid    6 and name  HA1) 2.65 0.85 0.85 ! 0.9990  160:1  Intra  2.33, 2.36 A
assign (resid    7 and name   HN) (resid    6 and name  HA1) 2.65 0.85 0.85 ! 0.9510  161:1  Seq    2.72, 2.81 A
assign (resid   10 and name   HN) (resid    9 and name  HA2) 2.30 0.50 0.50 ! 0.6722  164:1  Ambig  2.07, 2.23 A
    or (resid   10 and name   HN) (resid   10 and name  HA1)                ! 0.3255  164:1  -----  2.34, 2.37 A
assign (resid   11 and name   HN) (resid   10 and name  HA1) 2.30 0.50 0.50 ! 0.6225  165:1  Ambig  2.52, 2.67 A
    or (resid   11 and name   HN) (resid   11 and name   HA)                ! 0.3572  165:1  -----  2.76, 2.80 A
assign (resid   14 and name   HN) (resid   14 and name  HB1) 3.15 1.35 1.35 ! 0.8869  166:1  Intra  2.91, 3.19 A
assign (resid   13 and name   HN) (resid   11 and name   HA) 2.65 0.85 0.85 ! 0.6212  173:1  Ambig  3.27, 3.47 A
    or (resid   13 and name   HN) (resid    9 and name  HA2)                ! 0.1444  173:1  -----  4.17, 4.48 A
    or (resid   13 and name   HN) (resid   10 and name  HA1)                ! 0.1289  173:1  -----  4.25, 4.48 A
assign (resid   23 and name   HN) (resid   23 and name   HB) 3.65 1.85 1.85 ! 0.0000  174:1  Intra  3.77, 3.82 A
assign (resid   23 and name   HN) (resid   22 and name  HA2) 3.15 1.35 1.35 ! 0.8327  175:1  Seq    3.04, 3.20 A
assign (resid    8 and name   HN) (resid    8 and name  HB2) 3.15 1.35 1.35 ! 0.8911  176:1  Intra  3.49, 3.56 A
assign (resid   34 and name HE21) (resid    5 and name   HA) 3.15 1.35 1.35 ! 0.0000  177:1  Long   2.32, 3.21 A
assign (resid   32 and name   HN) (resid   10 and name  HA1) 3.65 1.85 1.85 ! 0.0000  178:1  Long   4.15, 4.43 A
assign (resid   20 and name   HN) (resid   19 and name  HB1) 3.15 1.35 1.35 ! 0.9962  179:1  Seq    1.84, 2.13 A
assign (resid   18 and name   HN) (resid   18 and name   HA) 2.65 0.85 0.85 ! 0.8440  180:1  Intra  2.84, 2.90 A
assign (resid    7 and name HE21) (resid   10 and name  HA1) 3.65 1.85 1.85 ! 0.8400  181:1  Mid    2.48, 2.83 A
assign (resid   31 and name  HD*) (resid   30 and name  HD2) 3.15 1.35 1.35 ! 0.9578  182:1  Seq    2.83, 5.17 A
assign (resid    2 and name HE22) (resid   16 and name  HD1) 3.65 1.85 1.85 ! 0.5144  183:1  Ambig  4.07, 4.81 A
    or (resid    2 and name HE22) (resid   15 and name  HA1)                ! 0.4856  183:1  -----  4.11, 5.26 A
assign (resid    2 and name HE22) (resid   16 and name  HD2) 3.65 1.85 1.85 ! 0.9318  184:1  Long   2.47, 3.51 A
assign (resid    5 and name  HD*) (resid    5 and name   HA) 2.65 0.85 0.85 ! 0.0000  185:1  Intra  2.28, 3.45 A
assign (resid   34 and name HE22) (resid    5 and name   HA) 3.15 1.35 1.35 ! 0.9098  186:1  Long   2.94, 3.58 A
assign (resid    4 and name  HD2) (resid    4 and name   HA) 2.65 0.85 0.85 ! 0.0000  187:1  Intra  2.24, 2.61 A
assign (resid   13 and name  HD*) (resid    9 and name  HA2) 3.15 1.35 1.35 ! 0.9942  188:1  Mid    2.02, 3.64 A
assign (resid    9 and name   HN) (resid    9 and name  HA2) 2.65 0.85 0.85 ! 0.7412  189:1  Ambig  2.32, 2.79 A
    or (resid   33 and name   HN) (resid   10 and name  HA1)                ! 0.2296  189:1  -----  2.82, 3.11 A
assign (resid    4 and name  HD2) (resid   23 and name   HB) 3.65 1.85 1.85 ! 0.0000  190:1  Long   2.59, 3.08 A
assign (resid    9 and name   HN) (resid   33 and name  HB1) 3.15 1.35 1.35 ! 0.7806  191:1  Ambig  2.96, 3.30 A
    or (resid   33 and name   HN) (resid   33 and name  HB1)                ! 0.2194  191:1  -----  3.66, 3.72 A
assign (resid   13 and name  HE*) (resid   15 and name  HA2) 3.65 1.85 1.85 ! 0.6731  192:1  Ambig  4.04, 5.44 A
    or (resid    5 and name  HE*) (resid    5 and name   HA)                ! 0.3269  192:1  -----  4.56, 5.20 A
assign (resid   13 and name  HE*) (resid   15 and name  HA1) 3.15 1.35 1.35 ! 0.9115  193:1  Mid    2.56, 3.91 A
assign (resid    5 and name   HN) (resid    5 and name  HB2) 3.65 1.85 1.85 ! 0.0000  194:1  Intra  3.51, 3.60 A
assign (resid    5 and name   HN) (resid   35 and name  HB1) 2.65 0.85 0.85 ! 0.5278  195:1  Ambig  3.54, 3.89 A
    or (resid    5 and name   HN) (resid    4 and name  HB1)                ! 0.2579  195:1  -----  3.99, 4.11 A
    or (resid    5 and name   HN) (resid    5 and name  HB1)                ! 0.2143  195:1  -----  4.11, 4.16 A
assign (resid    5 and name   HN) (resid   35 and name  HB2) 2.65 0.85 0.85 ! 0.9366  196:1  Long   2.64, 2.86 A
assign (resid   26 and name   HN) (resid   25 and name  HB2) 3.65 1.85 1.85 ! 0.0000  197:1  Seq    4.34, 4.45 A
assign (resid   36 and name   HN) (resid   35 and name  HB1) 3.15 1.35 1.35 ! 0.9770  198:1  Seq    3.47, 3.60 A
assign (resid   26 and name   HN) (resid   25 and name  HB1) 3.65 1.85 1.85 ! 0.8762  199:1  Seq    4.24, 4.42 A
assign (resid   36 and name   HN) (resid   35 and name  HB2) 3.65 1.85 1.85 ! 0.6464  200:1  Ambig  4.29, 4.35 A
    or (resid   34 and name   HN) (resid   25 and name  HB1)                ! 0.1218  200:1  -----  5.66, 6.40 A
    or (resid   36 and name   HN) (resid   25 and name  HB1)                ! 0.1066  200:1  -----  5.79, 6.26 A
assign (resid   31 and name   HN) (resid   31 and name  HB1) 3.15 1.35 1.35 ! 0.0000  201:1  Intra  3.64, 3.69 A
assign (resid    6 and name   HN) (resid    5 and name  HB2) 3.65 1.85 1.85 ! 0.0000  202:1  Seq    3.89, 3.98 A
assign (resid   31 and name   HN) (resid   29 and name  HB*) 3.15 1.35 1.35 ! 0.0000  203:1  Mid    2.73, 3.08 A
assign (resid   25 and name   HN) (resid   25 and name  HB2) 2.65 0.85 0.85 ! 0.9980  204:1  Intra  2.62, 2.71 A
assign (resid    4 and name   HN) (resid    4 and name  HB1) 2.65 0.85 0.85 ! 0.9983  205:1  Intra  2.37, 2.53 A
assign (resid    6 and name   HN) (resid   35 and name  HB1) 3.15 1.35 1.35 ! 0.5014  206:1  Ambig  4.04, 4.35 A
    or (resid    6 and name   HN) (resid    5 and name  HB1)                ! 0.3723  206:1  -----  4.24, 4.33 A
assign (resid    4 and name   HN) (resid    4 and name  HB2) 2.30 0.50 0.50 ! 0.5843  207:1  Ambig  2.29, 2.41 A
    or (resid   25 and name   HN) (resid   25 and name  HB1)                ! 0.4008  207:1  -----  2.44, 2.47 A
assign (resid    6 and name   HN) (resid   35 and name  HB2) 3.15 1.35 1.35 ! 0.9937  208:1  Long   2.32, 2.65 A
assign (resid   27 and name   HN) (resid   26 and name  HG1) 3.65 1.85 1.85 ! 0.8918  209:1  Seq    4.73, 5.05 A
assign (resid   31 and name   HN) (resid   31 and name  HB2) 2.65 0.85 0.85 ! 0.9942  210:1  Intra  2.45, 2.56 A
assign (resid   11 and name   HN) (resid   31 and name  HB1) 3.65 1.85 1.85 ! 0.0000  211:1  Long   3.84, 4.29 A
assign (resid   29 and name   HN) (resid   29 and name  HB*) 3.15 1.35 1.35 ! 0.0000  212:1  Intra  2.69, 3.31 A
assign (resid   35 and name   HN) (resid   35 and name  HB1) 3.15 1.35 1.35 ! 0.0000  213:1  Intra  3.57, 3.60 A
assign (resid   35 and name   HN) (resid   35 and name  HB2) 2.65 0.85 0.85 ! 0.9821  215:1  Intra  2.37, 2.42 A
assign (resid   10 and name   HN) (resid   13 and name  HB*) 3.15 1.35 1.35 ! 0.9318  216:1  Mid    1.82, 2.54 A
assign (resid   14 and name   HN) (resid   13 and name  HB*) 3.15 1.35 1.35 ! 0.7252  217:1  Ambig  3.93, 4.27 A
    or (resid   11 and name   HN) (resid   13 and name  HB*)                ! 0.1277  217:1  -----  5.25, 5.59 A
assign (resid   35 and name   HN) (resid    8 and name  HB1) 3.65 1.85 1.85 ! 0.0000  218:1  Long   3.41, 3.69 A
assign (resid   13 and name   HN) (resid   13 and name  HB*) 2.30 0.50 0.50 ! 0.8635  221:1  Intra  2.48, 2.67 A
assign (resid   32 and name   HN) (resid   31 and name  HB1) 3.65 1.85 1.85 ! 0.0000  222:1  Seq    3.89, 4.01 A
assign (resid   34 and name HE21) (resid    5 and name  HB2) 3.65 1.85 1.85 ! 0.0000  223:1  Long   4.10, 5.29 A
assign (resid   29 and name HD21) (resid   29 and name  HB*) 2.65 0.85 0.85 ! 0.0000  224:1  Intra  2.12, 2.62 A
assign (resid   34 and name HE21) (resid    5 and name  HB1) 3.15 1.35 1.35 ! 0.0000  225:1  Long   2.72, 3.92 A
assign (resid   32 and name   HN) (resid   32 and name  HB2) 2.65 0.85 0.85 ! 0.9874  226:1  Intra  2.78, 2.89 A
assign (resid   29 and name HD21) (resid   32 and name  HB2) 3.65 1.85 1.85 ! 0.9990  227:1  Mid    2.09, 2.79 A
assign (resid   31 and name  HD*) (resid   31 and name  HB1) 2.65 0.85 0.85 ! 0.0000  228:1  Intra  2.28, 3.05 A
assign (resid   29 and name HD22) (resid   29 and name  HB*) 3.15 1.35 1.35 ! 0.0000  229:1  Intra  3.39, 3.65 A
assign (resid   31 and name  HD*) (resid   31 and name  HB2) 2.30 0.50 0.50 ! 0.0000  230:1  Intra  2.30, 3.05 A
assign (resid   29 and name HD22) (resid   32 and name  HB2) 3.15 1.35 1.35 ! 0.0000  231:1  Mid    2.39, 3.69 A
assign (resid    7 and name HE21) (resid   13 and name  HB*) 3.15 1.35 1.35 ! 0.9753  232:1  Long   1.97, 3.27 A
assign (resid    7 and name HE22) (resid   13 and name  HB*) 2.65 0.85 0.85 ! 0.9767  233:1  Long   2.08, 3.52 A
assign (resid   31 and name  HE*) (resid   31 and name  HB1) 3.65 1.85 1.85 ! 0.0000  234:1  Intra  4.60, 5.05 A
assign (resid    5 and name  HD*) (resid    5 and name  HB2) 2.65 0.85 0.85 ! 0.0000  235:1  Intra  2.27, 3.03 A
assign (resid   34 and name HE22) (resid    5 and name  HB2) 3.65 1.85 1.85 ! 0.0000  236:1  Long   4.80, 5.32 A
assign (resid    5 and name  HD*) (resid    5 and name  HB1) 2.65 0.85 0.85 ! 0.7838  237:1  Ambig  2.32, 3.05 A
    or (resid    5 and name  HD*) (resid    4 and name  HB1)                ! 0.2162  237:1  -----  2.87, 5.32 A
assign (resid   34 and name HE22) (resid    5 and name  HB1) 3.15 1.35 1.35 ! 0.0000  238:1  Long   3.14, 3.75 A
assign (resid    5 and name  HD*) (resid    4 and name  HB2) 3.65 1.85 1.85 ! 0.8496  239:1  Seq    4.28, 6.46 A
assign (resid    4 and name  HD2) (resid    4 and name  HB2) 3.15 1.35 1.35 ! 0.7322  240:1  Ambig  3.05, 3.25 A
    or (resid    4 and name  HD2) (resid   35 and name  HB2)                ! 0.2678  240:1  -----  3.60, 4.23 A
assign (resid   31 and name  HE*) (resid   31 and name  HB2) 3.65 1.85 1.85 ! 0.0000  241:1  Intra  4.60, 5.05 A
assign (resid   13 and name  HD*) (resid   13 and name  HB*) 2.30 0.50 0.50 ! 0.5389  242:1  Ambig  2.29, 3.04 A
    or (resid   32 and name  HD*) (resid   32 and name  HB2)                ! 0.4565  242:1  -----  2.35, 3.07 A
assign (resid   33 and name   HN) (resid   33 and name  HB2) 2.65 0.85 0.85 ! 0.9473  243:1  Intra  2.48, 2.57 A
assign (resid    5 and name  HE*) (resid    5 and name  HB2) 3.65 1.85 1.85 ! 0.0000  244:1  Intra  4.58, 5.04 A
assign (resid    5 and name  HE*) (resid    4 and name  HB1) 3.65 1.85 1.85 ! 0.6188  245:1  Ambig  4.24, 6.51 A
    or (resid    5 and name  HE*) (resid    5 and name  HB1)                ! 0.3812  245:1  -----  4.60, 5.04 A
assign (resid   32 and name  HE*) (resid   32 and name  HB2) 3.65 1.85 1.85 ! 0.9098  246:1  Intra  4.60, 5.05 A
assign (resid   36 and name   HN) (resid   26 and name  HG1) 3.15 1.35 1.35 ! 0.9681  247:1  Long   2.93, 3.28 A
assign (resid   26 and name   HN) (resid   26 and name  HG1) 3.15 1.35 1.35 ! 0.0000  248:1  Intra  2.51, 2.83 A
assign (resid   36 and name   HN) (resid   26 and name  HG2) 3.65 1.85 1.85 ! 0.9001  249:1  Long   2.92, 4.87 A
assign (resid   26 and name   HN) (resid   26 and name  HG2) 3.65 1.85 1.85 ! 0.9936  250:1  Intra  2.58, 3.71 A
assign (resid   36 and name   HN) (resid   34 and name  HG2) 3.15 1.35 1.35 ! 0.3465  251:1  Ambig  4.18, 4.59 A
    or (resid   34 and name   HN) (resid   34 and name  HG2)                ! 0.2995  251:1  -----  4.28, 4.45 A
    or (resid   34 and name   HN) (resid   26 and name  HB1)                ! 0.2468  251:1  -----  4.42, 4.68 A
assign (resid   26 and name   HN) (resid   26 and name  HB1) 3.15 1.35 1.35 ! 0.8775  252:1  Intra  3.57, 3.66 A
assign (resid   31 and name   HN) (resid   32 and name  HB1) 3.65 1.85 1.85 ! 0.0000  253:1  Seq    4.57, 4.73 A
assign (resid    3 and name   HN) (resid    2 and name  HG1) 2.65 0.85 0.85 ! 0.0000  254:1  Seq    2.03, 2.47 A
assign (resid    2 and name HE21) (resid    2 and name  HG1) 3.15 1.35 1.35 ! 0.9293  255:1  Intra  3.42, 3.46 A
assign (resid    6 and name   HN) (resid    2 and name  HG1) 3.65 1.85 1.85 ! 0.0000  256:1  Mid    3.42, 3.65 A
assign (resid   19 and name   HN) (resid   19 and name  HB2) 2.65 0.85 0.85 ! 0.8995  257:1  Intra  2.31, 2.37 A
assign (resid    3 and name   HN) (resid    2 and name  HG2) 3.15 1.35 1.35 ! 0.9855  258:1  Seq    3.71, 4.00 A
assign (resid    2 and name HE21) (resid    2 and name  HG2) 2.65 0.85 0.85 ! 0.9449  259:1  Intra  2.19, 2.41 A
assign (resid    6 and name   HN) (resid    2 and name  HG2) 3.65 1.85 1.85 ! 0.9110  260:1  Mid    4.41, 4.66 A
assign (resid   31 and name   HN) (resid   30 and name  HB1) 3.15 1.35 1.35 ! 0.4928  261:1  Ambig  3.87, 4.01 A
    or (resid   27 and name   HN) (resid   26 and name  HG2)                ! 0.4656  261:1  -----  3.91, 4.28 A
assign (resid   27 and name   HN) (resid   26 and name  HB1) 3.15 1.35 1.35 ! 0.7340  262:1  Ambig  3.13, 3.32 A
    or (resid   31 and name   HN) (resid   30 and name  HG2)                ! 0.1816  262:1  -----  3.95, 4.09 A
assign (resid    7 and name   HN) (resid    7 and name  HB2) 2.65 0.85 0.85 ! 0.9919  263:1  Intra  2.29, 2.65 A
assign (resid   29 and name   HN) (resid   32 and name  HB1) 3.65 1.85 1.85 ! 0.9950  264:1  Mid    2.96, 3.43 A
assign (resid   17 and name   HN) (resid   16 and name  HB1) 3.15 1.35 1.35 ! 0.0000  265:1  Seq    3.84, 4.26 A
assign (resid   35 and name   HN) (resid   34 and name  HG1) 3.15 1.35 1.35 ! 0.0000  266:1  Seq    2.57, 2.77 A
assign (resid    8 and name   HN) (resid    7 and name  HB2) 3.65 1.85 1.85 ! 0.7294  267:1  Ambig  4.27, 4.36 A
    or (resid    8 and name   HN) (resid   34 and name  HG2)                ! 0.2083  267:1  -----  5.27, 5.71 A
assign (resid    8 and name   HN) (resid    7 and name  HG1) 3.15 1.35 1.35 ! 0.9665  268:1  Seq    3.39, 3.66 A
assign (resid   32 and name   HN) (resid   32 and name  HB1) 3.15 1.35 1.35 ! 0.0000  269:1  Intra  2.63, 2.73 A
assign (resid   29 and name HD21) (resid   32 and name  HB1) 3.65 1.85 1.85 ! 0.0000  270:1  Mid    1.74, 2.00 A
assign (resid   20 and name   HN) (resid   19 and name  HB2) 3.65 1.85 1.85 ! 0.9653  271:1  Seq    3.07, 3.39 A
assign (resid   34 and name HE21) (resid   34 and name  HG1) 2.65 0.85 0.85 ! 0.0000  272:1  Intra  2.20, 2.49 A
assign (resid   29 and name HD22) (resid   32 and name  HB1) 3.15 1.35 1.35 ! 0.0000  273:1  Mid    1.84, 2.73 A
assign (resid    2 and name HE22) (resid    2 and name  HG1) 3.65 1.85 1.85 ! 0.0000  274:1  Intra  4.02, 4.05 A
assign (resid   26 and name HE21) (resid   26 and name  HG1) 3.15 1.35 1.35 ! 0.0000  275:1  Intra  2.17, 2.21 A
assign (resid    7 and name HE21) (resid    7 and name  HG1) 2.65 0.85 0.85 ! 0.0000  276:1  Intra  2.14, 2.61 A
assign (resid    7 and name HE22) (resid    7 and name  HG1) 3.15 1.35 1.35 ! 0.0000  277:1  Intra  3.46, 3.63 A
assign (resid    2 and name HE22) (resid    2 and name  HG2) 3.15 1.35 1.35 ! 0.9828  278:1  Intra  3.46, 3.55 A
assign (resid   26 and name HE21) (resid   26 and name  HG2) 3.65 1.85 1.85 ! 0.9970  279:1  Intra  2.87, 2.99 A
assign (resid   32 and name  HD*) (resid   32 and name  HB1) 2.65 0.85 0.85 ! 0.0000  280:1  Intra  2.33, 3.06 A
assign (resid   33 and name   HN) (resid   32 and name  HB1) 3.65 1.85 1.85 ! 0.8965  281:1  Seq    4.18, 4.25 A
assign (resid   26 and name HE22) (resid   26 and name  HG1) 3.65 1.85 1.85 ! 0.0000  282:1  Intra  3.45, 3.47 A
assign (resid   32 and name  HD*) (resid    7 and name  HG1) 3.15 1.35 1.35 ! 0.9447  283:1  Long   2.70, 4.51 A
assign (resid   33 and name   HN) (resid    7 and name  HG1) 2.65 0.85 0.85 ! 0.9574  284:1  Long   2.08, 2.41 A
assign (resid   34 and name HE22) (resid   34 and name  HG1) 3.15 1.35 1.35 ! 0.9586  285:1  Intra  3.46, 3.59 A
assign (resid   31 and name  HE*) (resid   30 and name  HG2) 3.65 1.85 1.85 ! 0.0000  286:1  Seq    3.25, 5.61 A
assign (resid   32 and name  HD*) (resid    7 and name  HB2) 3.65 1.85 1.85 ! 0.8485  287:1  Long   3.41, 5.06 A
assign (resid   32 and name  HE*) (resid   32 and name  HB1) 3.65 1.85 1.85 ! 0.0000  288:1  Intra  4.62, 5.07 A
assign (resid   32 and name  HE*) (resid    7 and name  HG1) 3.15 1.35 1.35 ! 0.0000  289:1  Long   3.01, 4.79 A
assign (resid   32 and name  HE*) (resid    7 and name  HB2) 2.65 0.85 0.85 ! 0.9669  290:1  Long   2.21, 4.16 A
assign (resid   24 and name   HN) (resid   36 and name  HB2) 3.65 1.85 1.85 ! 0.7352  291:1  Ambig  3.99, 4.31 A
    or (resid   24 and name   HN) (resid   36 and name  HB1)                ! 0.2648  291:1  -----  4.73, 4.92 A
assign (resid   26 and name   HN) (resid   26 and name  HB2) 2.65 0.85 0.85 ! 0.9700  292:1  Intra  2.34, 2.48 A
assign (resid   34 and name   HN) (resid   34 and name  HB1) 2.65 0.85 0.85 ! 0.7267  293:1  Ambig  2.56, 2.67 A
    or (resid   34 and name   HN) (resid   26 and name  HB2)                ! 0.1380  293:1  -----  3.38, 3.66 A
assign (resid    2 and name   HN) (resid    2 and name  HB1) 3.15 1.35 1.35 ! 0.0000  294:1  Intra  2.43, 2.52 A
assign (resid    2 and name   HN) (resid    2 and name  HB2) 3.15 1.35 1.35 ! 0.6548  295:1  Ambig  2.40, 2.57 A
    or (resid    2 and name   HN) (resid   16 and name  HB2)                ! 0.3452  295:1  -----  2.67, 3.15 A
assign (resid   36 and name   HN) (resid   36 and name  HB2) 2.30 0.50 0.50 ! 0.6852  296:1  Ambig  2.52, 2.64 A
    or (resid   34 and name   HN) (resid   34 and name  HB2)                ! 0.2329  296:1  -----  3.02, 3.15 A
assign (resid   26 and name   HN) (resid   36 and name  HB2) 3.65 1.85 1.85 ! 0.8490  297:1  Long   3.62, 4.05 A
assign (resid   27 and name   HN) (resid   27 and name   HB) 2.30 0.50 0.50 ! 0.4881  299:1  Ambig  2.43, 2.50 A
    or (resid   28 and name   HN) (resid   28 and name  HB2)                ! 0.4358  299:1  -----  2.48, 2.53 A
assign (resid    3 and name   HN) (resid    2 and name  HB1) 3.65 1.85 1.85 ! 0.0000  300:1  Seq    3.68, 3.83 A
assign (resid   28 and name   HN) (resid   28 and name   HG) 2.65 0.85 0.85 ! 0.9388  301:1  Intra  2.22, 2.45 A
assign (resid    3 and name   HN) (resid    2 and name  HB2) 3.15 1.35 1.35 ! 0.7374  302:1  Ambig  3.90, 4.06 A
    or (resid    3 and name   HN) (resid   16 and name  HB2)                ! 0.2626  302:1  -----  4.63, 5.69 A
assign (resid    2 and name HE21) (resid    2 and name  HB2) 3.15 1.35 1.35 ! 0.9512  303:1  Intra  1.79, 2.51 A
assign (resid    7 and name   HN) (resid    7 and name  HB1) 2.65 0.85 0.85 ! 0.9970  304:1  Intra  2.47, 2.57 A
assign (resid   35 and name   HN) (resid   34 and name  HG2) 3.15 1.35 1.35 ! 0.9836  305:1  Seq    2.70, 2.95 A
assign (resid   17 and name   HN) (resid   18 and name   HB) 3.65 1.85 1.85 ! 0.5507  306:1  Ambig  4.38, 4.74 A
    or (resid   17 and name   HN) (resid   16 and name  HG2)                ! 0.2601  306:1  -----  4.97, 5.14 A
assign (resid   35 and name   HN) (resid   34 and name  HB1) 3.65 1.85 1.85 ! 0.9105  307:1  Seq    3.91, 4.03 A
assign (resid   29 and name   HN) (resid   28 and name  HB1) 3.15 1.35 1.35 ! 0.7105  308:1  Ambig  3.42, 3.68 A
    or (resid   29 and name   HN) (resid   28 and name   HG)                ! 0.2895  308:1  -----  3.97, 4.10 A
assign (resid   17 and name   HN) (resid   16 and name  HB2) 3.65 1.85 1.85 ! 0.8099  309:1  Seq    3.73, 3.99 A
assign (resid   35 and name   HN) (resid   34 and name  HB2) 3.15 1.35 1.35 ! 0.7431  310:1  Ambig  3.90, 4.05 A
    or (resid    4 and name  HE1) (resid   36 and name  HB1)                ! 0.1282  310:1  -----  5.23, 6.00 A
assign (resid   11 and name   HN) (resid   11 and name HG11) 2.65 0.85 0.85 ! 0.0000  311:1  Intra  1.96, 2.12 A
assign (resid   29 and name HD21) (resid   28 and name  HB1) 3.65 1.85 1.85 ! 0.8467  313:1  Seq    3.15, 4.63 A
assign (resid   18 and name   HN) (resid   18 and name   HB) 2.65 0.85 0.85 ! 0.9870  314:1  Intra  2.51, 2.57 A
assign (resid   18 and name   HN) (resid   16 and name  HB2) 3.65 1.85 1.85 ! 0.6492  315:1  Ambig  3.41, 3.89 A
    or (resid   18 and name   HN) (resid    2 and name  HB2)                ! 0.3508  315:1  -----  3.78, 4.53 A
assign (resid    2 and name HE22) (resid   16 and name  HG2) 3.65 1.85 1.85 ! 0.9191  316:1  Long   2.17, 2.72 A
assign (resid   29 and name HD22) (resid   28 and name  HB1) 3.65 1.85 1.85 ! 0.9430  317:1  Seq    2.94, 4.11 A
assign (resid    2 and name HE22) (resid    2 and name  HB2) 3.65 1.85 1.85 ! 0.4480  318:1  Ambig  3.37, 3.71 A
    or (resid    2 and name HE22) (resid   16 and name  HB2)                ! 0.4078  318:1  -----  3.43, 4.51 A
assign (resid   26 and name HE21) (resid   36 and name  HB2) 3.65 1.85 1.85 ! 0.8732  319:1  Long   1.97, 2.47 A
assign (resid    5 and name  HD*) (resid   34 and name  HG2) 3.65 1.85 1.85 ! 0.0000  320:1  Long   3.45, 5.14 A
assign (resid   32 and name  HD*) (resid   28 and name  HB2) 2.65 0.85 0.85 ! 0.9824  321:1  Mid    2.18, 4.35 A
assign (resid   32 and name  HD*) (resid   28 and name   HG) 2.65 0.85 0.85 ! 0.5031  322:1  Ambig  3.30, 5.43 A
    or (resid   32 and name  HD*) (resid   28 and name  HB1)                ! 0.4969  322:1  -----  3.30, 5.73 A
assign (resid    9 and name   HN) (resid    7 and name  HB1) 3.65 1.85 1.85 ! 0.9004  323:1  Mid    3.51, 5.37 A
assign (resid   32 and name  HD*) (resid   34 and name  HB2) 3.15 1.35 1.35 ! 0.0000  324:1  Mid    3.31, 4.64 A
assign (resid    4 and name  HD2) (resid   36 and name  HB1) 3.65 1.85 1.85 ! 0.7116  325:1  Ambig  4.20, 4.50 A
    or (resid    4 and name  HD2) (resid   36 and name  HB2)                ! 0.2884  325:1  -----  4.88, 5.05 A
assign (resid   26 and name HE22) (resid   36 and name  HB2) 3.65 1.85 1.85 ! 0.5728  326:1  Ambig  2.62, 3.02 A
    or (resid   26 and name HE22) (resid   36 and name  HB1)                ! 0.4272  326:1  -----  2.75, 3.22 A
assign (resid   32 and name  HE*) (resid   34 and name  HB1) 3.15 1.35 1.35 ! 0.7590  327:1  Ambig  3.31, 5.07 A
    or (resid   32 and name  HE*) (resid   28 and name  HB2)                ! 0.2410  327:1  -----  4.01, 5.74 A
assign (resid   13 and name  HE*) (resid    7 and name  HB1) 3.65 1.85 1.85 ! 0.8563  328:1  Long   2.95, 4.27 A
assign (resid   32 and name  HE*) (resid   34 and name  HB2) 2.65 0.85 0.85 ! 0.0000  329:1  Mid    1.91, 3.64 A
assign (resid   24 and name   HN) (resid   24 and name HG2*) 3.15 1.35 1.35 ! 0.0000  330:1  Intra  2.83, 3.83 A
assign (resid    5 and name   HN) (resid   36 and name HD2*) 3.15 1.35 1.35 ! 0.0000  331:1  Long   2.90, 4.14 A
assign (resid    2 and name   HN) (resid    1 and name HG2*) 3.65 1.85 1.85 ! 0.8447  332:1  Seq    3.18, 4.25 A
assign (resid   36 and name   HN) (resid   36 and name   HG) 2.65 0.85 0.85 ! 0.8897  333:1  Intra  3.09, 3.23 A
assign (resid   34 and name   HN) (resid   28 and name HD1*) 3.15 1.35 1.35 ! 0.3706  334:1  Ambig  3.95, 4.64 A
    or (resid   36 and name   HN) (resid   36 and name HD2*)                ! 0.2993  334:1  -----  4.10, 4.91 A
    or (resid   12 and name   HN) (resid   11 and name HG12)                ! 0.2025  334:1  -----  4.37, 4.48 A
assign (resid   26 and name   HN) (resid   36 and name HD1*) 3.15 1.35 1.35 ! 0.5980  335:1  Ambig  4.18, 5.53 A
    or (resid   26 and name   HN) (resid   28 and name HD2*)                ! 0.2587  335:1  -----  4.81, 5.95 A
assign (resid   12 and name   HN) (resid   11 and name HG2*) 2.65 0.85 0.85 ! 0.6735  336:1  Ambig  3.04, 3.81 A
    or (resid   34 and name   HN) (resid   28 and name HD2*)                ! 0.1469  336:1  -----  3.91, 4.88 A
assign (resid    4 and name   HN) (resid   20 and name  HB*) 3.15 1.35 1.35 ! 0.9614  337:1  Long   3.06, 3.78 A
assign (resid   21 and name   HN) (resid   20 and name  HB*) 2.65 0.85 0.85 ! 0.9985  338:1  Seq    1.84, 3.15 A
assign (resid   31 and name   HN) (resid   30 and name  HB2) 3.15 1.35 1.35 ! 0.0000  339:1  Seq    2.48, 2.67 A
assign (resid   25 and name   HN) (resid   24 and name HG2*) 3.15 1.35 1.35 ! 0.0000  340:1  Seq    3.67, 4.57 A
assign (resid   28 and name   HN) (resid   28 and name HD1*) 3.65 1.85 1.85 ! 0.9177  341:1  Intra  4.01, 4.64 A
assign (resid   19 and name   HN) (resid   18 and name HG1*) 2.65 0.85 0.85 ! 0.9590  342:1  Seq    2.52, 3.41 A
assign (resid   27 and name   HN) (resid   27 and name HG2*) 2.30 0.50 0.50 ! 0.9065  343:1  Intra  2.11, 3.07 A
assign (resid   28 and name   HN) (resid   27 and name HG1*) 2.65 0.85 0.85 ! 0.7954  344:1  Ambig  3.23, 4.15 A
    or (resid   27 and name   HN) (resid   27 and name HG1*)                ! 0.1327  344:1  -----  4.35, 4.52 A
assign (resid   17 and name   HN) (resid   17 and name HG2*) 2.65 0.85 0.85 ! 0.9921  345:1  Intra  2.43, 3.41 A
assign (resid   11 and name   HN) (resid   11 and name   HB) 2.65 0.85 0.85 ! 0.0000  346:1  Intra  2.46, 2.57 A
assign (resid   17 and name   HN) (resid   18 and name HG2*) 3.65 1.85 1.85 ! 0.9779  347:1  Seq    3.45, 4.82 A
assign (resid   11 and name   HN) (resid   11 and name HG12) 3.15 1.35 1.35 ! 0.0000  348:1  Intra  3.24, 3.38 A
assign (resid   29 and name   HN) (resid   27 and name HG1*) 2.65 0.85 0.85 ! 0.9894  349:1  Mid    2.89, 4.03 A
assign (resid    8 and name   HN) (resid    7 and name  HG2) 3.15 1.35 1.35 ! 0.9535  350:1  Seq    3.15, 3.46 A
assign (resid   20 and name   HN) (resid   20 and name  HB*) 2.65 0.85 0.85 ! 0.9913  351:1  Intra  2.36, 2.85 A
assign (resid   18 and name   HN) (resid    1 and name HG2*) 3.65 1.85 1.85 ! 0.8207  352:1  Long   3.54, 4.91 A
assign (resid   18 and name   HN) (resid   18 and name HG2*) 2.65 0.85 0.85 ! 0.9855  353:1  Intra  2.17, 3.24 A
assign (resid   31 and name  HD*) (resid   11 and name   HB) 2.65 0.85 0.85 ! 0.0000  354:1  Long   2.06, 3.73 A
assign (resid    7 and name HE21) (resid    7 and name  HG2) 2.65 0.85 0.85 ! 0.0000  355:1  Intra  2.21, 2.57 A
assign (resid    7 and name HE22) (resid    7 and name  HG2) 3.15 1.35 1.35 ! 0.0000  356:1  Intra  3.47, 3.61 A
assign (resid   31 and name  HD*) (resid   11 and name HG2*) 3.15 1.35 1.35 ! 0.0000  357:1  Long   2.64, 5.42 A
assign (resid   13 and name  HD*) (resid   17 and name HG2*) 3.15 1.35 1.35 ! 0.0000  358:1  Mid    2.55, 5.60 A
assign (resid   31 and name  HE*) (resid   11 and name   HB) 3.15 1.35 1.35 ! 0.0000  359:1  Long   2.98, 4.39 A
assign (resid   32 and name  HD*) (resid   28 and name HD1*) 2.65 0.85 0.85 ! 0.9223  360:1  Mid    1.95, 5.14 A
assign (resid    9 and name   HN) (resid    7 and name  HG2) 2.65 0.85 0.85 ! 0.7772  361:1  Ambig  1.94, 3.56 A
    or (resid   33 and name   HN) (resid    7 and name  HG2)                ! 0.1891  361:1  -----  2.46, 3.40 A
assign (resid    5 and name  HD*) (resid   36 and name HD2*) 2.65 0.85 0.85 ! 0.0000  362:1  Long   2.47, 4.66 A
assign (resid    4 and name  HD2) (resid   36 and name HD2*) 3.15 1.35 1.35 ! 0.0000  363:1  Long   2.70, 4.10 A
assign (resid   32 and name  HD*) (resid   28 and name HD2*) 3.15 1.35 1.35 ! 0.0000  364:1  Mid    5.22, 7.49 A
assign (resid   31 and name  HE*) (resid   11 and name HG2*) 2.65 0.85 0.85 ! 0.0000  365:1  Long   2.71, 5.08 A
assign (resid   13 and name  HE*) (resid   17 and name HG2*) 2.65 0.85 0.85 ! 0.8678  366:1  Mid    3.72, 6.32 A
assign (resid   32 and name  HE*) (resid   28 and name HD1*) 3.15 1.35 1.35 ! 0.9675  367:1  Mid    2.08, 5.00 A
assign (resid    5 and name  HE*) (resid   36 and name HD2*) 2.65 0.85 0.85 ! 0.0000  368:1  Long   2.67, 4.42 A
assign (resid   32 and name  HE*) (resid   28 and name HD2*) 3.65 1.85 1.85 ! 0.0000  369:1  Mid    5.23, 7.79 A
assign (resid    5 and name   HN) (resid   23 and name HG2*) 3.65 1.85 1.85 ! 0.0000  370:1  Long   4.47, 5.57 A
assign (resid   24 and name   HN) (resid   23 and name HG2*) 3.15 1.35 1.35 ! 0.0000  371:1  Seq    3.90, 4.65 A
assign (resid   36 and name   HN) (resid   23 and name HG2*) 3.65 1.85 1.85 ! 0.0000  372:1  Long   4.67, 5.47 A
assign (resid    4 and name   HN) (resid   23 and name HG2*) 3.65 1.85 1.85 ! 0.0000  373:1  Long   3.07, 5.04 A
assign (resid   11 and name   HN) (resid   11 and name HD1*) 3.15 1.35 1.35 ! 0.0000  374:1  Intra  3.86, 4.41 A
assign (resid    4 and name  HE1) (resid   23 and name HG2*) 3.65 1.85 1.85 ! 0.9329  375:1  Long   4.09, 5.69 A
assign (resid   23 and name   HN) (resid   23 and name HG2*) 3.15 1.35 1.35 ! 0.0000  376:1  Intra  2.71, 3.76 A
assign (resid   31 and name  HD*) (resid   11 and name HD1*) 3.65 1.85 1.85 ! 0.0000  377:1  Long   3.61, 5.72 A
assign (resid   31 and name  HE*) (resid   11 and name HD1*) 3.15 1.35 1.35 ! 0.0000  378:1  Long   3.64, 5.43 A
assign (resid    4 and name  HD2) (resid   23 and name HG2*) 3.15 1.35 1.35 ! 0.0000  379:1  Long   2.17, 3.18 A
assign (resid    5 and name   HA) (resid    5 and name   HN) 3.15 1.35 1.35 ! 0.0000  380:1  Intra  2.18, 2.21 A
assign (resid    4 and name   HA) (resid    5 and name   HN) 2.65 0.85 0.85 ! 0.9602  381:1  Seq    2.13, 2.19 A
assign (resid    1 and name   HA) (resid    2 and name   HN) 3.65 1.85 1.85 ! 0.9910  382:1  Seq    2.20, 2.50 A
assign (resid   23 and name   HB) (resid   24 and name   HN) 2.65 0.85 0.85 ! 0.9696  383:1  Seq    2.52, 2.76 A
assign (resid   11 and name   HA) (resid   12 and name   HN) 2.65 0.85 0.85 ! 0.9991  384:1  Seq    2.06, 2.11 A
assign (resid   12 and name  HA2) (resid   12 and name   HN) 2.65 0.85 0.85 ! 0.8039  385:1  Intra  2.35, 2.42 A
assign (resid   33 and name  HB1) (resid   34 and name   HN) 2.65 0.85 0.85 ! 0.9951  386:1  Seq    2.95, 3.20 A
assign (resid   25 and name  HB2) (resid   26 and name   HN) 3.65 1.85 1.85 ! 0.7085  387:1  Ambig  4.34, 4.45 A
    or (resid   25 and name  HB2) (resid   36 and name   HN)                ! 0.2915  387:1  -----  5.04, 5.69 A
assign (resid    4 and name  HB1) (resid    5 and name   HN) 3.15 1.35 1.35 ! 0.5461  388:1  Ambig  3.99, 4.11 A
    or (resid    5 and name  HB1) (resid    5 and name   HN)                ! 0.4539  388:1  -----  4.11, 4.16 A
assign (resid   35 and name  HB1) (resid    5 and name   HN) 3.15 1.35 1.35 ! 0.7844  389:1  Ambig  3.54, 3.89 A
    or (resid   35 and name  HB1) (resid   24 and name   HN)                ! 0.2156  389:1  -----  4.39, 4.64 A
assign (resid   35 and name  HB2) (resid    5 and name   HN) 2.65 0.85 0.85 ! 0.9879  390:1  Long   2.64, 2.86 A
assign (resid   35 and name  HB1) (resid   36 and name   HN) 3.15 1.35 1.35 ! 0.9857  391:1  Seq    3.47, 3.60 A
assign (resid   33 and name  HB2) (resid   34 and name   HN) 3.15 1.35 1.35 ! 0.7033  392:1  Ambig  3.90, 4.05 A
    or (resid   13 and name  HB*) (resid   12 and name   HN)                ! 0.2746  392:1  -----  4.56, 4.87 A
assign (resid   35 and name  HB2) (resid   36 and name   HN) 3.65 1.85 1.85 ! 0.7886  393:1  Ambig  4.29, 4.35 A
    or (resid   35 and name  HB2) (resid   26 and name   HN)                ! 0.1187  393:1  -----  5.88, 5.98 A
assign (resid   25 and name  HB1) (resid   26 and name   HN) 3.65 1.85 1.85 ! 0.7128  394:1  Ambig  4.24, 4.42 A
    or (resid   25 and name  HB1) (resid   34 and name   HN)                ! 0.1260  394:1  -----  5.66, 6.40 A
assign (resid    2 and name  HG1) (resid    3 and name   HN) 3.15 1.35 1.35 ! 0.0000  395:1  Seq    2.03, 2.47 A
assign (resid   26 and name  HG1) (resid   26 and name   HN) 3.15 1.35 1.35 ! 0.7160  396:1  Ambig  2.51, 2.83 A
    or (resid   26 and name  HG1) (resid   36 and name   HN)                ! 0.2840  396:1  -----  2.93, 3.28 A
assign (resid   26 and name  HG2) (resid   26 and name   HN) 3.15 1.35 1.35 ! 0.6553  397:1  Ambig  2.58, 3.71 A
    or (resid   26 and name  HG2) (resid   36 and name   HN)                ! 0.3152  397:1  -----  2.92, 4.87 A
assign (resid   26 and name  HB1) (resid   26 and name   HN) 3.15 1.35 1.35 ! 0.6178  398:1  Ambig  3.57, 3.66 A
    or (resid   34 and name  HG2) (resid   36 and name   HN)                ! 0.2406  398:1  -----  4.18, 4.59 A
assign (resid   26 and name  HB2) (resid   26 and name   HN) 2.65 0.85 0.85 ! 0.9966  399:1  Intra  2.34, 2.48 A
assign (resid    2 and name  HB1) (resid    3 and name   HN) 3.65 1.85 1.85 ! 0.0000  400:1  Seq    3.68, 3.83 A
assign (resid   36 and name  HB2) (resid   36 and name   HN) 2.65 0.85 0.85 ! 0.7389  401:1  Ambig  2.52, 2.64 A
    or (resid   34 and name  HB2) (resid   34 and name   HN)                ! 0.2512  401:1  -----  3.02, 3.15 A
assign (resid    2 and name  HB2) (resid    3 and name   HN) 3.65 1.85 1.85 ! 0.7374  402:1  Ambig  3.90, 4.06 A
    or (resid   16 and name  HB2) (resid    3 and name   HN)                ! 0.2626  402:1  -----  4.63, 5.69 A
assign (resid   24 and name HG2*) (resid   24 and name   HN) 3.15 1.35 1.35 ! 0.0000  403:1  Intra  2.83, 3.83 A
assign (resid   36 and name   HG) (resid   36 and name   HN) 3.15 1.35 1.35 ! 0.7474  404:1  Ambig  3.09, 3.23 A
    or (resid   36 and name   HG) (resid   26 and name   HN)                ! 0.1599  404:1  -----  3.99, 4.32 A
assign (resid   11 and name HG2*) (resid   12 and name   HN) 2.65 0.85 0.85 ! 0.9608  405:1  Seq    3.04, 3.81 A
assign (resid   28 and name HD2*) (resid   34 and name   HN) 3.15 1.35 1.35 ! 0.4913  406:1  Ambig  3.91, 4.88 A
    or (resid   36 and name HD1*) (resid   36 and name   HN)                ! 0.2597  406:1  -----  4.35, 5.10 A
    or (resid   36 and name HD1*) (resid   34 and name   HN)                ! 0.2044  406:1  -----  4.53, 5.66 A
assign (resid   23 and name HG2*) (resid   24 and name   HN) 3.15 1.35 1.35 ! 0.6923  407:1  Ambig  3.90, 4.65 A
    or (resid   23 and name HG2*) (resid    5 and name   HN)                ! 0.3077  407:1  -----  4.47, 5.57 A
assign (resid   21 and name   HA) (resid   22 and name   HN) 2.65 0.85 0.85 ! 0.0000  408:1  Seq    2.07, 2.15 A
assign (resid    3 and name   HA) (resid    4 and name   HN) 3.65 1.85 1.85 ! 0.9986  409:1  Seq    2.27, 2.37 A
assign (resid    6 and name  HA2) (resid    7 and name   HN) 3.15 1.35 1.35 ! 0.8042  410:1  Seq    2.29, 2.40 A
assign (resid   20 and name   HA) (resid   21 and name   HN) 3.15 1.35 1.35 ! 0.8148  411:1  Seq    2.21, 2.43 A
assign (resid   21 and name   HA) (resid   21 and name   HN) 3.15 1.35 1.35 ! 0.8117  412:1  Intra  2.71, 2.76 A
assign (resid    9 and name  HA1) (resid   10 and name   HN) 3.65 1.85 1.85 ! 0.0000  413:1  Seq    3.34, 3.43 A
assign (resid   31 and name   HA) (resid   11 and name   HN) 3.65 1.85 1.85 ! 0.0000  414:1  Long   1.92, 2.11 A
assign (resid    3 and name  HB2) (resid    3 and name   HN) 3.15 1.35 1.35 ! 0.0000  415:1  Intra  2.41, 2.47 A
assign (resid   21 and name  HB*) (resid   22 and name   HN) 3.15 1.35 1.35 ! 0.0000  416:1  Seq    3.44, 3.99 A
assign (resid   24 and name   HB) (resid   25 and name   HN) 2.65 0.85 0.85 ! 0.6410  417:1  Ambig  2.53, 2.81 A
    or (resid    4 and name   HA) (resid    4 and name   HN)                ! 0.3590  417:1  -----  2.79, 2.83 A
assign (resid    3 and name  HB1) (resid    4 and name   HN) 3.15 1.35 1.35 ! 0.0000  418:1  Seq    2.24, 2.53 A
assign (resid    3 and name  HB2) (resid    4 and name   HN) 3.65 1.85 1.85 ! 0.9730  419:1  Seq    3.41, 3.55 A
assign (resid   18 and name   HA) (resid   19 and name   HN) 2.65 0.85 0.85 ! 0.9937  420:1  Seq    2.06, 2.17 A
assign (resid   18 and name   HA) (resid   19 and name   HN) 2.65 0.85 0.85 ! 0.5074  421:1  Ambig  2.06, 2.17 A
    or (resid   27 and name   HA) (resid   28 and name   HN)                ! 0.4168  421:1  -----  2.13, 2.16 A
assign (resid   30 and name  HD1) (resid   31 and name   HN) 3.65 1.85 1.85 ! 0.0000  422:1  Seq    3.82, 3.99 A
assign (resid   21 and name  HB*) (resid   21 and name   HN) 2.65 0.85 0.85 ! 0.0000  423:1  Intra  2.45, 3.01 A
assign (resid   10 and name  HA1) (resid   11 and name   HN) 2.65 0.85 0.85 ! 0.9623  427:1  Seq    2.52, 2.67 A
assign (resid   22 and name  HA2) (resid   22 and name   HN) 2.65 0.85 0.85 ! 0.9785  429:1  Intra  2.28, 2.33 A
assign (resid    6 and name  HA1) (resid    3 and name   HN) 3.15 1.35 1.35 ! 0.9079  430:1  Mid    3.42, 3.69 A
assign (resid   19 and name  HB1) (resid   36 and name   HN) 3.65 1.85 1.85 ! 0.5541  431:1  Ambig  4.68, 4.85 A
    or (resid   14 and name  HB1) (resid   12 and name   HN)                ! 0.4459  431:1  -----  4.85, 5.63 A
assign (resid   19 and name  HB1) (resid   19 and name   HN) 3.15 1.35 1.35 ! 0.0000  432:1  Intra  3.54, 3.57 A
assign (resid   33 and name  HB1) (resid   28 and name   HN) 3.15 1.35 1.35 ! 0.4477  433:1  Ambig  3.91, 4.22 A
    or (resid   33 and name  HB1) (resid   27 and name   HN)                ! 0.3007  433:1  -----  4.18, 4.45 A
    or (resid   33 and name  HB1) (resid   10 and name   HN)                ! 0.1693  433:1  -----  4.60, 4.97 A
assign (resid    9 and name  HA2) (resid   10 and name   HN) 2.65 0.85 0.85 ! 0.6611  434:1  Ambig  2.07, 2.23 A
    or (resid   10 and name  HA1) (resid   10 and name   HN)                ! 0.3201  434:1  -----  2.34, 2.37 A
assign (resid   11 and name   HA) (resid   11 and name   HN) 3.15 1.35 1.35 ! 0.8075  435:1  Intra  2.76, 2.80 A
assign (resid   14 and name  HB1) (resid   14 and name   HN) 3.15 1.35 1.35 ! 0.0000  436:1  Intra  2.91, 3.19 A
assign (resid    5 and name  HB1) (resid    6 and name   HN) 3.65 1.85 1.85 ! 0.7062  437:1  Ambig  4.24, 4.33 A
    or (resid    4 and name  HB1) (resid    6 and name   HN)                ! 0.2396  437:1  -----  5.08, 5.21 A
assign (resid   25 and name  HB2) (resid   25 and name   HN) 2.65 0.85 0.85 ! 0.9980  438:1  Intra  2.62, 2.71 A
assign (resid    6 and name  HA1) (resid    6 and name   HN) 2.30 0.50 0.50 ! 0.7071  439:1  Ambig  2.33, 2.36 A
    or (resid    6 and name  HA1) (resid    7 and name   HN)                ! 0.2794  439:1  -----  2.72, 2.81 A
assign (resid   31 and name  HB1) (resid   11 and name   HN) 3.65 1.85 1.85 ! 0.0000  440:1  Long   3.84, 4.29 A
assign (resid   31 and name  HB1) (resid   31 and name   HN) 3.15 1.35 1.35 ! 0.0000  441:1  Intra  3.64, 3.69 A
assign (resid   29 and name  HB*) (resid   29 and name   HN) 3.15 1.35 1.35 ! 0.5096  442:1  Ambig  2.69, 3.31 A
    or (resid   29 and name  HB*) (resid   31 and name   HN)                ! 0.4694  442:1  -----  2.73, 3.08 A
assign (resid    4 and name  HB1) (resid    4 and name   HN) 2.65 0.85 0.85 ! 0.9983  443:1  Intra  2.37, 2.53 A
assign (resid    4 and name  HB2) (resid    4 and name   HN) 2.30 0.50 0.50 ! 0.5931  444:1  Ambig  2.29, 2.41 A
    or (resid   25 and name  HB1) (resid   25 and name   HN)                ! 0.4069  444:1  -----  2.44, 2.47 A
assign (resid   35 and name  HB1) (resid    6 and name   HN) 3.65 1.85 1.85 ! 0.9749  445:1  Long   4.04, 4.35 A
assign (resid   35 and name  HB2) (resid    6 and name   HN) 3.15 1.35 1.35 ! 0.0000  446:1  Long   2.32, 2.65 A
assign (resid   31 and name  HB2) (resid   31 and name   HN) 2.65 0.85 0.85 ! 0.9915  447:1  Intra  2.45, 2.56 A
assign (resid   13 and name  HB*) (resid   10 and name   HN) 3.15 1.35 1.35 ! 0.9242  448:1  Mid    1.82, 2.54 A
assign (resid   35 and name  HB1) (resid   35 and name   HN) 3.15 1.35 1.35 ! 0.0000  449:1  Intra  3.57, 3.60 A
assign (resid   35 and name  HB2) (resid   35 and name   HN) 2.65 0.85 0.85 ! 0.9966  450:1  Intra  2.37, 2.42 A
assign (resid   13 and name  HB*) (resid   14 and name   HN) 3.65 1.85 1.85 ! 0.7252  451:1  Ambig  3.93, 4.27 A
    or (resid   13 and name  HB*) (resid   11 and name   HN)                ! 0.1277  451:1  -----  5.25, 5.59 A
assign (resid   31 and name  HB2) (resid   11 and name   HN) 3.65 1.85 1.85 ! 0.0000  452:1  Long   4.94, 5.10 A
assign (resid    2 and name  HG1) (resid    2 and name HE21) 3.15 1.35 1.35 ! 0.9293  453:1  Intra  3.42, 3.46 A
assign (resid    2 and name  HG1) (resid    6 and name   HN) 3.65 1.85 1.85 ! 0.0000  454:1  Mid    3.42, 3.65 A
assign (resid   32 and name  HB1) (resid   29 and name   HN) 3.65 1.85 1.85 ! 0.8309  455:1  Mid    2.96, 3.43 A
assign (resid    2 and name  HG2) (resid    2 and name HE21) 2.65 0.85 0.85 ! 0.9467  456:1  Intra  2.19, 2.41 A
assign (resid   19 and name  HB2) (resid   19 and name   HN) 2.65 0.85 0.85 ! 0.8770  457:1  Intra  2.31, 2.37 A
assign (resid   34 and name  HG1) (resid   35 and name   HN) 3.15 1.35 1.35 ! 0.0000  458:1  Seq    2.57, 2.77 A
assign (resid   16 and name  HB1) (resid   17 and name   HN) 3.65 1.85 1.85 ! 0.0000  459:1  Seq    3.84, 4.26 A
assign (resid    7 and name  HB2) (resid    7 and name   HN) 2.65 0.85 0.85 ! 0.9966  460:1  Intra  2.29, 2.65 A
assign (resid   28 and name  HB2) (resid   29 and name   HN) 2.30 0.50 0.50 ! 0.4362  461:1  Ambig  2.26, 2.54 A
    or (resid   27 and name   HB) (resid   27 and name   HN)                ! 0.2799  461:1  -----  2.43, 2.50 A
    or (resid   28 and name  HB2) (resid   28 and name   HN)                ! 0.2498  461:1  -----  2.48, 2.53 A
assign (resid   28 and name   HG) (resid   28 and name   HN) 2.65 0.85 0.85 ! 0.8541  462:1  Intra  2.22, 2.45 A
assign (resid   34 and name  HG2) (resid   35 and name   HN) 3.15 1.35 1.35 ! 0.9969  463:1  Seq    2.70, 2.95 A
assign (resid    7 and name  HB1) (resid    7 and name   HN) 2.65 0.85 0.85 ! 0.9968  464:1  Intra  2.47, 2.57 A
assign (resid   11 and name HG11) (resid   11 and name   HN) 2.65 0.85 0.85 ! 0.0000  465:1  Intra  1.96, 2.12 A
assign (resid   24 and name HG2*) (resid   25 and name   HN) 3.15 1.35 1.35 ! 0.9211  466:1  Seq    3.67, 4.57 A
assign (resid   20 and name  HB*) (resid    4 and name   HN) 3.15 1.35 1.35 ! 0.9614  467:1  Long   3.06, 3.78 A
assign (resid   20 and name  HB*) (resid   21 and name   HN) 2.65 0.85 0.85 ! 0.9916  468:1  Seq    1.84, 3.15 A
assign (resid   11 and name   HB) (resid   11 and name   HN) 2.65 0.85 0.85 ! 0.0000  469:1  Intra  2.46, 2.57 A
assign (resid   17 and name HG2*) (resid   17 and name   HN) 2.65 0.85 0.85 ! 0.9921  470:1  Intra  2.43, 3.41 A
assign (resid   18 and name HG1*) (resid   19 and name   HN) 2.65 0.85 0.85 ! 0.9514  471:1  Seq    2.52, 3.41 A
assign (resid   27 and name HG2*) (resid   27 and name   HN) 2.30 0.50 0.50 ! 0.8984  472:1  Intra  2.11, 3.07 A
assign (resid   11 and name HG2*) (resid   11 and name   HN) 3.15 1.35 1.35 ! 0.7848  473:1  Ambig  4.40, 4.56 A
    or (resid   27 and name HG2*) (resid   11 and name   HN)                ! 0.2152  473:1  -----  5.46, 7.06 A
assign (resid   11 and name HG12) (resid   11 and name   HN) 3.15 1.35 1.35 ! 0.5898  474:1  Ambig  3.24, 3.38 A
    or (resid   18 and name HG2*) (resid   17 and name   HN)                ! 0.4012  474:1  -----  3.45, 4.82 A
assign (resid   23 and name HG2*) (resid    4 and name   HN) 3.65 1.85 1.85 ! 0.0000  475:1  Long   3.07, 5.04 A
assign (resid   27 and name HG1*) (resid   29 and name   HN) 2.65 0.85 0.85 ! 0.6027  476:1  Ambig  2.89, 4.03 A
    or (resid   27 and name HG1*) (resid   28 and name   HN)                ! 0.3109  476:1  -----  3.23, 4.15 A
assign (resid   11 and name HD1*) (resid   11 and name   HN) 3.15 1.35 1.35 ! 0.0000  477:1  Intra  3.86, 4.41 A
assign (resid   21 and name   HA) (resid   23 and name   HN) 3.65 1.85 1.85 ! 0.0000  478:1  Mid    3.34, 3.67 A
assign (resid    7 and name   HA) (resid    8 and name   HN) 3.15 1.35 1.35 ! 0.0000  479:1  Seq    2.03, 2.09 A
assign (resid   20 and name   HA) (resid   20 and name   HN) 3.65 1.85 1.85 ! 0.0000  480:1  Intra  2.70, 2.80 A
assign (resid   23 and name   HB) (resid   23 and name   HN) 3.65 1.85 1.85 ! 0.0000  481:1  Intra  3.77, 3.82 A
assign (resid    5 and name   HA) (resid   34 and name HE21) 3.65 1.85 1.85 ! 0.0000  483:1  Long   2.32, 3.21 A
assign (resid   22 and name  HA2) (resid   23 and name   HN) 3.15 1.35 1.35 ! 0.9629  484:1  Seq    3.04, 3.20 A
assign (resid   11 and name   HA) (resid   13 and name   HN) 3.15 1.35 1.35 ! 0.9821  485:1  Mid    3.27, 3.47 A
assign (resid   12 and name  HA2) (resid   13 and name   HN) 3.15 1.35 1.35 ! 0.0000  486:1  Seq    3.14, 3.35 A
assign (resid   19 and name  HB1) (resid   20 and name   HN) 3.15 1.35 1.35 ! 0.9988  487:1  Seq    1.84, 2.13 A
assign (resid   29 and name  HB*) (resid   29 and name HD21) 2.65 0.85 0.85 ! 0.0000  488:1  Intra  2.12, 2.62 A
assign (resid    5 and name  HB2) (resid   34 and name HE21) 3.65 1.85 1.85 ! 0.0000  489:1  Long   4.10, 5.29 A
assign (resid   31 and name  HB2) (resid   32 and name   HN) 2.65 0.85 0.85 ! 0.9439  491:1  Seq    2.97, 3.05 A
assign (resid   13 and name  HB*) (resid   13 and name   HN) 2.65 0.85 0.85 ! 0.6002  492:1  Ambig  2.48, 2.67 A
    or (resid   32 and name  HB2) (resid   32 and name   HN)                ! 0.3011  492:1  -----  2.78, 2.89 A
assign (resid    8 and name  HB1) (resid    8 and name   HN) 2.65 0.85 0.85 ! 0.0000  493:1  Intra  2.55, 2.82 A
assign (resid   32 and name  HB2) (resid   29 and name HD21) 3.15 1.35 1.35 ! 0.9990  494:1  Mid    2.09, 2.79 A
assign (resid   35 and name  HB1) (resid   20 and name   HN) 3.65 1.85 1.85 ! 0.0000  495:1  Long   3.11, 3.34 A
assign (resid    5 and name  HB1) (resid   34 and name HE21) 3.15 1.35 1.35 ! 0.0000  496:1  Long   2.72, 3.92 A
assign (resid   35 and name  HB2) (resid   20 and name   HN) 3.15 1.35 1.35 ! 0.7475  497:1  Ambig  3.94, 4.38 A
    or (resid    4 and name  HB2) (resid   20 and name   HN)                ! 0.2525  497:1  -----  4.72, 5.13 A
assign (resid   32 and name  HB1) (resid   32 and name   HN) 3.15 1.35 1.35 ! 0.0000  498:1  Intra  2.63, 2.73 A
assign (resid    7 and name  HG1) (resid    8 and name   HN) 3.15 1.35 1.35 ! 0.9755  499:1  Seq    3.39, 3.66 A
assign (resid   34 and name  HG1) (resid   34 and name HE21) 2.65 0.85 0.85 ! 0.0000  500:1  Intra  2.20, 2.49 A
assign (resid    7 and name  HB2) (resid    8 and name   HN) 3.65 1.85 1.85 ! 0.7779  501:1  Ambig  4.27, 4.36 A
    or (resid   34 and name  HG2) (resid    8 and name   HN)                ! 0.2221  501:1  -----  5.27, 5.71 A
assign (resid   19 and name  HB2) (resid   20 and name   HN) 3.65 1.85 1.85 ! 0.9653  502:1  Seq    3.07, 3.39 A
assign (resid   28 and name  HB1) (resid   29 and name HD21) 3.65 1.85 1.85 ! 0.8467  504:1  Seq    3.15, 4.63 A
assign (resid   34 and name  HG2) (resid   34 and name HE21) 3.15 1.35 1.35 ! 0.0000  505:1  Intra  2.15, 3.19 A
assign (resid   20 and name  HB*) (resid   20 and name   HN) 2.65 0.85 0.85 ! 0.9913  506:1  Intra  2.36, 2.85 A
assign (resid   23 and name HG2*) (resid   23 and name   HN) 3.15 1.35 1.35 ! 0.0000  508:1  Intra  2.71, 3.76 A
assign (resid    9 and name  HA1) (resid   13 and name  HD*) 3.15 1.35 1.35 ! 0.0000  509:1  Mid    2.55, 5.07 A
assign (resid   18 and name   HA) (resid   18 and name   HN) 3.15 1.35 1.35 ! 0.8464  510:1  Intra  2.84, 2.90 A
assign (resid    9 and name  HA2) (resid   13 and name  HD*) 3.15 1.35 1.35 ! 0.9947  511:1  Mid    2.02, 3.64 A
assign (resid   30 and name  HD2) (resid   31 and name  HD*) 3.65 1.85 1.85 ! 0.9856  512:1  Seq    2.83, 5.17 A
assign (resid   31 and name  HB1) (resid   31 and name  HD*) 2.65 0.85 0.85 ! 0.9972  513:1  Intra  2.28, 3.05 A
assign (resid   29 and name  HB2) (resid   29 and name HD22) 2.65 0.85 0.85 ! 0.6801  514:1  Ambig  3.39, 3.65 A
    or (resid   29 and name  HB1) (resid   29 and name HD22)                ! 0.3199  514:1  -----  3.84, 6.09 A
    or (resid   29 and name  HB2) (resid   31 and name  HD2)                ! 0.0000  514:1  -----  0.00, 0.00 A
    or (resid   29 and name  HB1) (resid   31 and name  HD2)                ! 0.0000  514:1  -----  0.00, 0.00 A
    or (resid   29 and name  HB2) (resid   31 and name  HD1)                ! 0.0000  514:1  -----  0.00, 0.00 A
    or (resid   29 and name  HB1) (resid   31 and name  HD1)                ! 0.0000  514:1  -----  0.00, 0.00 A
assign (resid   13 and name  HB*) (resid    7 and name HE21) 2.65 0.85 0.85 ! 0.9755  515:1  Long   1.97, 3.27 A
assign (resid   31 and name  HB2) (resid   31 and name  HD*) 2.30 0.50 0.50 ! 0.9853  517:1  Intra  2.30, 3.05 A
assign (resid   13 and name  HB*) (resid    7 and name HE22) 2.65 0.85 0.85 ! 0.6867  518:1  Ambig  2.08, 3.52 A
    or (resid   32 and name  HB2) (resid   29 and name HD22)                ! 0.2969  518:1  -----  2.39, 3.69 A
assign (resid   13 and name  HB*) (resid   13 and name  HD*) 2.30 0.50 0.50 ! 0.5394  520:1  Ambig  2.29, 3.04 A
    or (resid   32 and name  HB2) (resid   32 and name  HD*)                ! 0.4569  520:1  -----  2.35, 3.07 A
assign (resid   32 and name  HB1) (resid   29 and name HD22) 3.15 1.35 1.35 ! 0.9992  521:1  Mid    1.84, 2.73 A
assign (resid    2 and name  HG1) (resid    2 and name HE22) 3.65 1.85 1.85 ! 0.0000  522:1  Intra  4.02, 4.05 A
assign (resid   32 and name  HB1) (resid   32 and name  HE*) 3.65 1.85 1.85 ! 0.0000  523:1  Intra  4.62, 5.07 A
assign (resid   32 and name  HB1) (resid   32 and name  HD*) 2.65 0.85 0.85 ! 0.0000  524:1  Intra  2.33, 3.06 A
assign (resid   32 and name  HB1) (resid   33 and name   HN) 3.65 1.85 1.85 ! 0.9666  525:1  Seq    4.18, 4.25 A
assign (resid    7 and name  HG1) (resid    7 and name HE21) 2.65 0.85 0.85 ! 0.0000  527:1  Intra  2.14, 2.61 A
assign (resid    2 and name  HG2) (resid    2 and name HE22) 3.15 1.35 1.35 ! 0.0000  528:1  Intra  3.46, 3.55 A
assign (resid   26 and name  HG1) (resid   26 and name HE21) 3.15 1.35 1.35 ! 0.0000  529:1  Intra  2.17, 2.21 A
assign (resid   26 and name  HG2) (resid   26 and name HE21) 3.65 1.85 1.85 ! 0.9970  530:1  Intra  2.87, 2.99 A
assign (resid    7 and name  HG1) (resid    7 and name HE22) 3.15 1.35 1.35 ! 0.0000  531:1  Intra  3.46, 3.63 A
assign (resid    7 and name  HG1) (resid   32 and name  HD*) 3.15 1.35 1.35 ! 0.9447  532:1  Long   2.70, 4.51 A
assign (resid   18 and name   HB) (resid   18 and name   HN) 2.65 0.85 0.85 ! 0.0000  533:1  Intra  2.51, 2.57 A
assign (resid    7 and name  HB2) (resid   32 and name  HD*) 3.65 1.85 1.85 ! 0.8485  534:1  Long   3.41, 5.06 A
assign (resid   28 and name  HB2) (resid   32 and name  HD*) 3.15 1.35 1.35 ! 0.0000  535:1  Mid    2.18, 4.35 A
assign (resid   28 and name   HG) (resid   32 and name  HD*) 3.15 1.35 1.35 ! 0.5031  536:1  Ambig  3.30, 5.43 A
    or (resid   28 and name  HB1) (resid   32 and name  HD*)                ! 0.4969  536:1  -----  3.30, 5.73 A
assign (resid   16 and name  HB2) (resid   18 and name   HN) 3.65 1.85 1.85 ! 0.6492  537:1  Ambig  3.41, 3.89 A
    or (resid    2 and name  HB2) (resid   18 and name   HN)                ! 0.3508  537:1  -----  3.78, 4.53 A
assign (resid   11 and name   HB) (resid   31 and name  HD*) 3.15 1.35 1.35 ! 0.0000  538:1  Long   2.06, 3.73 A
assign (resid   17 and name HG2*) (resid   13 and name  HD*) 3.15 1.35 1.35 ! 0.0000  539:1  Mid    2.55, 5.60 A
assign (resid   18 and name HG2*) (resid   18 and name   HN) 2.65 0.85 0.85 ! 0.9855  540:1  Intra  2.17, 3.24 A
assign (resid    7 and name  HG2) (resid    7 and name HE21) 2.65 0.85 0.85 ! 0.0000  541:1  Intra  2.21, 2.57 A
assign (resid   11 and name HG2*) (resid   31 and name  HD*) 3.15 1.35 1.35 ! 0.0000  542:1  Long   2.64, 5.42 A
assign (resid   28 and name HD1*) (resid   32 and name  HD*) 2.65 0.85 0.85 ! 0.9223  543:1  Mid    1.95, 5.14 A
assign (resid   11 and name HD1*) (resid   31 and name  HD*) 3.65 1.85 1.85 ! 0.0000  544:1  Long   3.61, 5.72 A
assign (resid    9 and name  HA1) (resid    9 and name   HN) 3.65 1.85 1.85 ! 0.9524  545:1  Intra  2.71, 2.77 A
assign (resid    5 and name   HA) (resid    5 and name  HD*) 3.15 1.35 1.35 ! 0.9659  546:1  Intra  2.28, 3.45 A
assign (resid    4 and name   HA) (resid    4 and name  HD2) 3.15 1.35 1.35 ! 0.9707  547:1  Intra  2.24, 2.61 A
assign (resid    9 and name  HA2) (resid    9 and name   HN) 3.15 1.35 1.35 ! 0.7421  548:1  Ambig  2.32, 2.79 A
    or (resid   10 and name  HA1) (resid   33 and name   HN)                ! 0.2299  548:1  -----  2.82, 3.11 A
assign (resid   33 and name  HB1) (resid    9 and name   HN) 3.15 1.35 1.35 ! 0.7806  549:1  Ambig  2.96, 3.30 A
    or (resid   33 and name  HB1) (resid   33 and name   HN)                ! 0.2194  549:1  -----  3.66, 3.72 A
assign (resid    5 and name  HB2) (resid    5 and name  HD*) 2.65 0.85 0.85 ! 0.9906  550:1  Intra  2.27, 3.03 A
assign (resid    5 and name  HB1) (resid    5 and name  HD*) 2.65 0.85 0.85 ! 0.7526  551:1  Ambig  2.32, 3.05 A
    or (resid    4 and name  HB1) (resid    5 and name  HD*)                ! 0.2075  551:1  -----  2.87, 5.32 A
assign (resid    4 and name  HB2) (resid    4 and name  HD2) 3.15 1.35 1.35 ! 0.6580  552:1  Ambig  3.05, 3.25 A
    or (resid   35 and name  HB2) (resid    4 and name  HD2)                ! 0.2406  552:1  -----  3.60, 4.23 A
assign (resid    5 and name  HB1) (resid   34 and name HE22) 3.15 1.35 1.35 ! 0.0000  553:1  Long   3.14, 3.75 A
assign (resid   33 and name  HB2) (resid    9 and name   HN) 2.65 0.85 0.85 ! 0.7674  554:1  Ambig  2.00, 2.24 A
    or (resid   33 and name  HB2) (resid   33 and name   HN)                ! 0.2114  554:1  -----  2.48, 2.57 A
assign (resid    7 and name  HG1) (resid   33 and name   HN) 2.65 0.85 0.85 ! 0.9574  555:1  Long   2.08, 2.41 A
assign (resid   34 and name  HG1) (resid   34 and name HE22) 3.15 1.35 1.35 ! 0.9586  556:1  Intra  3.46, 3.59 A
assign (resid    7 and name  HG1) (resid   32 and name  HE*) 3.65 1.85 1.85 ! 0.0000  557:1  Long   3.01, 4.79 A
assign (resid   34 and name  HG1) (resid   32 and name  HE*) 4.15 2.35 2.35 ! 0.0000  558:1  Mid    3.56, 4.86 A
assign (resid   34 and name  HG2) (resid   34 and name HE22) 3.15 1.35 1.35 ! 0.6545  559:1  Ambig  3.42, 3.90 A
    or (resid    7 and name  HB2) (resid   33 and name   HN)                ! 0.1786  559:1  -----  4.25, 4.60 A
assign (resid    7 and name  HB2) (resid   32 and name  HE*) 2.65 0.85 0.85 ! 0.9669  560:1  Long   2.21, 4.16 A
assign (resid   34 and name  HB1) (resid   32 and name  HE*) 3.15 1.35 1.35 ! 0.7590  561:1  Ambig  3.31, 5.07 A
    or (resid   28 and name  HB2) (resid   32 and name  HE*)                ! 0.2410  561:1  -----  4.01, 5.74 A
assign (resid   36 and name  HB2) (resid   26 and name HE22) 3.65 1.85 1.85 ! 0.0000  562:1  Long   2.62, 3.02 A
assign (resid    7 and name  HB1) (resid   32 and name  HE*) 3.15 1.35 1.35 ! 0.0000  563:1  Long   3.94, 5.79 A
assign (resid   34 and name  HB2) (resid   32 and name  HE*) 2.65 0.85 0.85 ! 0.0000  564:1  Mid    1.91, 3.64 A
assign (resid   17 and name HG2*) (resid   13 and name  HE*) 2.65 0.85 0.85 ! 0.8678  565:1  Mid    3.72, 6.32 A
assign (resid   36 and name HD2*) (resid    5 and name  HD*) 2.65 0.85 0.85 ! 0.6281  566:1  Ambig  2.47, 4.66 A
    or (resid   36 and name HD2*) (resid    4 and name  HD2)                ! 0.3719  566:1  -----  2.70, 4.10 A
assign (resid   11 and name HG2*) (resid   31 and name  HE*) 3.15 1.35 1.35 ! 0.0000  567:1  Long   2.71, 5.08 A
assign (resid    7 and name  HG2) (resid    9 and name   HN) 2.65 0.85 0.85 ! 0.7772  568:1  Ambig  1.94, 3.56 A
    or (resid    7 and name  HG2) (resid   33 and name   HN)                ! 0.1891  568:1  -----  2.46, 3.40 A
assign (resid    7 and name  HG2) (resid    9 and name   HN) 3.15 1.35 1.35 ! 0.8043  569:1  Mid    1.94, 3.56 A
assign (resid   28 and name HD1*) (resid   32 and name  HE*) 3.15 1.35 1.35 ! 0.9675  570:1  Mid    2.08, 5.00 A
assign (resid   36 and name HD2*) (resid    5 and name  HE*) 2.65 0.85 0.85 ! 0.0000  571:1  Long   2.67, 4.42 A
assign (resid   23 and name HG2*) (resid    4 and name  HD2) 3.15 1.35 1.35 ! 0.0000  572:1  Long   2.17, 3.18 A
assign (resid   11 and name HD1*) (resid   31 and name  HE*) 3.15 1.35 1.35 ! 0.0000  573:1  Long   3.64, 5.43 A
assign (resid   27 and name   HA) (resid   33 and name   HA) 3.65 1.85 1.85 ! 0.8999  574:1  Long   1.98, 2.28 A
assign (resid   30 and name  HD1) (resid   29 and name   HA) 2.65 0.85 0.85 ! 0.0000  575:1  Seq    2.16, 2.21 A
assign (resid   15 and name  HA1) (resid   15 and name   HN) 3.15 1.35 1.35 ! 0.9950  576:1  Intra  2.29, 2.33 A
assign (resid   33 and name  HB1) (resid   33 and name   HA) 3.15 1.35 1.35 ! 0.9942  577:1  Intra  2.45, 2.48 A
assign (resid   30 and name  HD2) (resid   29 and name   HA) 3.15 1.35 1.35 ! 0.0000  578:1  Seq    3.09, 3.15 A
assign (resid    8 and name  HB2) (resid    8 and name   HA) 2.65 0.85 0.85 ! 0.9891  579:1  Intra  2.43, 2.54 A
assign (resid   29 and name  HB*) (resid   29 and name   HA) 2.30 0.50 0.50 ! 0.0000  580:1  Intra  2.36, 2.71 A
assign (resid   33 and name  HB2) (resid   33 and name   HA) 3.15 1.35 1.35 ! 0.7874  581:1  Ambig  3.03, 3.03 A
    or (resid   13 and name  HB*) (resid   15 and name   HN)                ! 0.1494  581:1  -----  3.99, 4.58 A
assign (resid    8 and name  HB1) (resid    8 and name   HA) 2.65 0.85 0.85 ! 0.9980  582:1  Intra  2.31, 2.34 A
assign (resid   35 and name  HB1) (resid   35 and name   HA) 2.65 0.85 0.85 ! 0.0000  583:1  Intra  2.47, 2.49 A
assign (resid   35 and name  HB2) (resid   35 and name   HA) 3.15 1.35 1.35 ! 0.9308  584:1  Intra  2.99, 3.01 A
assign (resid   28 and name  HB2) (resid   33 and name   HA) 3.15 1.35 1.35 ! 0.8256  585:1  Long   3.46, 3.81 A
assign (resid   28 and name   HG) (resid   33 and name   HA) 3.15 1.35 1.35 ! 0.9670  586:1  Long   2.87, 3.23 A
assign (resid   27 and name HG1*) (resid   33 and name   HA) 3.15 1.35 1.35 ! 0.0000  587:1  Long   3.66, 4.87 A
assign (resid   27 and name HG1*) (resid   29 and name   HA) 3.15 1.35 1.35 ! 0.0000  588:1  Mid    3.39, 4.98 A
assign (resid    1 and name   HB) (resid  101 and name   H1) 2.30 0.50 0.50 ! 0.0000  590:1  Long   2.28, 2.41 A
assign (resid   24 and name   HB) (resid   24 and name   HA) 2.30 0.50 0.50 ! 0.9165  591:1  Intra  2.49, 2.54 A
assign (resid    3 and name  HB1) (resid    3 and name   HA) 2.65 0.85 0.85 ! 0.0000  592:1  Intra  2.38, 2.41 A
assign (resid    3 and name  HB2) (resid    3 and name   HA) 2.65 0.85 0.85 ! 0.0000  593:1  Intra  3.01, 3.02 A
assign (resid   30 and name  HD1) (resid   30 and name   HA) 3.15 1.35 1.35 ! 0.0000  596:1  Intra  3.58, 3.73 A
assign (resid   23 and name   HB) (resid   23 and name   HA) 2.65 0.85 0.85 ! 0.0000  597:1  Intra  2.44, 2.48 A
assign (resid  101 and name   H2) (resid  101 and name   H1) 2.65 0.85 0.85 ! 0.9858  598:1  Intra  2.54, 2.85 A
assign (resid   19 and name  HB1) (resid   19 and name   HA) 2.65 0.85 0.85 ! 0.9324  599:1  Intra  2.45, 2.48 A
assign (resid   14 and name  HB1) (resid   14 and name   HA) 2.65 0.85 0.85 ! 0.5860  600:1  Ambig  2.29, 2.36 A
    or (resid   19 and name  HB1) (resid   19 and name   HA)                ! 0.3919  600:1  -----  2.45, 2.48 A
assign (resid   14 and name  HB2) (resid   14 and name   HA) 2.65 0.85 0.85 ! 0.9962  601:1  Intra  2.50, 2.55 A
assign (resid   16 and name  HD2) (resid   16 and name   HA) 3.15 1.35 1.35 ! 0.9384  602:1  Intra  3.93, 4.07 A
assign (resid    8 and name  HB2) (resid   17 and name   HA) 3.15 1.35 1.35 ! 0.0000  605:1  Long   2.34, 3.02 A
assign (resid    8 and name  HB2) (resid   25 and name   HA) 3.15 1.35 1.35 ! 0.5200  606:1  Ambig  3.63, 3.99 A
    or (resid    8 and name  HB2) (resid   17 and name   HB)                ! 0.4722  606:1  -----  3.69, 4.09 A
assign (resid   25 and name  HB2) (resid   17 and name   HA) 3.65 1.85 1.85 ! 0.9502  607:1  Long   4.70, 5.18 A
assign (resid   25 and name  HB2) (resid   25 and name   HA) 2.65 0.85 0.85 ! 0.9759  608:1  Intra  2.43, 2.47 A
assign (resid   31 and name  HB1) (resid   31 and name   HA) 2.65 0.85 0.85 ! 0.0000  609:1  Intra  2.40, 2.45 A
assign (resid    4 and name  HB2) (resid    3 and name   HA) 3.15 1.35 1.35 ! 0.0000  611:1  Seq    4.32, 4.48 A
assign (resid   32 and name  HB1) (resid   32 and name   HA) 3.65 1.85 1.85 ! 0.0000  612:1  Intra  2.99, 3.01 A
assign (resid   32 and name  HB2) (resid   32 and name   HA) 2.30 0.50 0.50 ! 0.5243  613:1  Ambig  2.42, 2.48 A
    or (resid   13 and name  HB*) (resid   13 and name   HA)                ! 0.4465  613:1  -----  2.49, 2.78 A
assign (resid   25 and name  HB1) (resid   25 and name   HA) 2.65 0.85 0.85 ! 0.8994  614:1  Intra  3.01, 3.04 A
assign (resid   31 and name  HB2) (resid   31 and name   HA) 2.65 0.85 0.85 ! 0.9280  615:1  Intra  3.02, 3.03 A
assign (resid   26 and name  HG2) (resid   26 and name   HA) 2.65 0.85 0.85 ! 0.9351  616:1  Intra  2.40, 2.50 A
assign (resid   19 and name  HB2) (resid   19 and name   HA) 3.15 1.35 1.35 ! 0.4798  617:1  Ambig  2.99, 3.00 A
    or (resid   19 and name  HB2) (resid   24 and name   HA)                ! 0.3993  617:1  -----  3.08, 3.33 A
assign (resid   16 and name  HB1) (resid   16 and name   HA) 2.65 0.85 0.85 ! 0.0000  618:1  Intra  2.28, 2.30 A
assign (resid    7 and name  HG1) (resid    7 and name   HA) 2.65 0.85 0.85 ! 0.9812  619:1  Intra  2.49, 2.66 A
assign (resid   30 and name  HB1) (resid   30 and name   HA) 2.65 0.85 0.85 ! 0.9978  620:1  Intra  2.29, 2.31 A
assign (resid   28 and name  HB2) (resid   28 and name   HA) 3.15 1.35 1.35 ! 0.9177  621:1  Intra  3.01, 3.02 A
assign (resid   28 and name  HB1) (resid   28 and name   HA) 2.65 0.85 0.85 ! 0.8464  622:1  Intra  2.41, 2.44 A
assign (resid   26 and name  HB1) (resid   26 and name   HA) 3.15 1.35 1.35 ! 0.9577  623:1  Intra  2.44, 2.49 A
assign (resid   26 and name  HB2) (resid   26 and name   HA) 2.65 0.85 0.85 ! 0.8065  624:1  Intra  2.99, 3.01 A
assign (resid    7 and name  HB2) (resid    7 and name   HA) 2.65 0.85 0.85 ! 0.9402  625:1  Intra  2.43, 2.52 A
assign (resid   30 and name  HG2) (resid   30 and name   HA) 3.65 1.85 1.85 ! 0.0000  626:1  Intra  3.84, 3.93 A
assign (resid   30 and name  HG1) (resid   30 and name   HA) 3.15 1.35 1.35 ! 0.9779  627:1  Intra  2.82, 2.97 A
assign (resid   36 and name  HB2) (resid   36 and name   HA) 2.65 0.85 0.85 ! 0.9775  628:1  Intra  3.01, 3.02 A
assign (resid   16 and name  HB2) (resid   16 and name   HA) 3.15 1.35 1.35 ! 0.9458  629:1  Intra  2.70, 2.76 A
assign (resid    7 and name  HB1) (resid    7 and name   HA) 3.65 1.85 1.85 ! 0.9376  630:1  Intra  2.98, 3.02 A
assign (resid   17 and name HG2*) (resid   17 and name   HA) 2.65 0.85 0.85 ! 0.9885  631:1  Intra  2.31, 2.96 A
assign (resid   17 and name HG2*) (resid   17 and name   HB) 2.30 0.50 0.50 ! 0.0000  632:1  Intra  2.41, 2.66 A
assign (resid   24 and name HG2*) (resid   24 and name   HA) 2.65 0.85 0.85 ! 0.9983  633:1  Intra  2.36, 3.00 A
assign (resid   20 and name  HB*) (resid    3 and name   HA) 2.65 0.85 0.85 ! 0.0000  634:1  Long   2.00, 3.31 A
assign (resid   20 and name  HB*) (resid   20 and name   HA) 2.30 0.50 0.50 ! 0.8504  635:1  Intra  2.33, 2.61 A
assign (resid    1 and name HG2*) (resid    1 and name   HB) 2.30 0.50 0.50 ! 0.6591  636:1  Ambig  2.43, 2.66 A
    or (resid   20 and name  HB*) (resid    1 and name   HB)                ! 0.2816  636:1  -----  2.79, 5.48 A
assign (resid   28 and name HD2*) (resid   28 and name   HA) 2.65 0.85 0.85 ! 0.9975  637:1  Intra  2.15, 2.96 A
assign (resid   36 and name HD2*) (resid   36 and name   HA) 2.65 0.85 0.85 ! 0.0000  638:1  Intra  2.05, 2.97 A
assign (resid   23 and name HG2*) (resid   23 and name   HA) 2.65 0.85 0.85 ! 0.0000  639:1  Intra  2.46, 3.09 A
assign (resid   23 and name HG2*) (resid   36 and name   HA) 3.65 1.85 1.85 ! 0.9416  640:1  Long   3.38, 4.45 A
assign (resid    3 and name   HA) (resid    3 and name  HB1) 3.65 1.85 1.85 ! 0.0000  641:1  Intra  2.38, 2.41 A
assign (resid   21 and name   HA) (resid   21 and name  HB*) 2.65 0.85 0.85 ! 0.9944  643:1  Intra  2.31, 2.70 A
assign (resid  101 and name  H62) (resid  101 and name   H5) 2.65 0.85 0.85 ! 0.9779  652:1  Intra  2.53, 2.84 A
assign (resid    5 and name   HA) (resid    5 and name  HB2) 3.15 1.35 1.35 ! 0.0000  653:1  Intra  2.98, 3.02 A
assign (resid   15 and name  HA2) (resid   16 and name  HD2) 2.65 0.85 0.85 ! 0.9626  654:1  Seq    2.99, 3.40 A
assign (resid   16 and name  HD2) (resid   15 and name  HA2) 2.65 0.85 0.85 ! 0.9852  656:1  Seq    2.99, 3.40 A
assign (resid    5 and name  HB2) (resid    5 and name   HA) 2.65 0.85 0.85 ! 0.0000  663:1  Intra  2.98, 3.02 A
assign (resid   29 and name  HB*) (resid   30 and name  HD1) 2.30 0.50 0.50 ! 0.0000  664:1  Seq    2.71, 3.45 A
assign (resid   29 and name  HB*) (resid   30 and name  HD2) 2.30 0.50 0.50 ! 0.0000  665:1  Seq    2.11, 2.84 A
assign (resid   35 and name  HB1) (resid    4 and name   HA) 2.65 0.85 0.85 ! 0.9969  666:1  Long   2.66, 2.94 A
assign (resid    5 and name  HB1) (resid    5 and name   HA) 2.65 0.85 0.85 ! 0.9907  667:1  Intra  2.52, 2.57 A
assign (resid   35 and name  HB2) (resid    4 and name   HA) 2.30 0.50 0.50 ! 0.5224  668:1  Ambig  2.42, 2.60 A
    or (resid    4 and name  HB2) (resid    4 and name   HA)                ! 0.4668  668:1  -----  2.46, 2.52 A
assign (resid   13 and name  HB*) (resid    9 and name  HA2) 2.30 0.50 0.50 ! 0.9060  669:1  Mid    1.93, 2.95 A
assign (resid   34 and name  HG1) (resid    5 and name   HA) 3.65 1.85 1.85 ! 0.0000  672:1  Long   2.22, 2.48 A
assign (resid   19 and name  HB2) (resid   18 and name   HA) 3.65 1.85 1.85 ! 0.7130  673:1  Ambig  4.35, 4.45 A
    or (resid   26 and name  HG2) (resid   27 and name   HA)                ! 0.0761  673:1  -----  6.32, 6.55 A
    or (resid    2 and name  HG2) (resid    1 and name   HA)                ! 0.0604  673:1  -----  6.57, 6.71 A
assign (resid   30 and name  HB1) (resid   30 and name  HD1) 3.65 1.85 1.85 ! 0.0000  674:1  Intra  4.06, 4.08 A
assign (resid   19 and name  HB2) (resid   23 and name   HB) 3.65 1.85 1.85 ! 0.9415  675:1  Mid    3.63, 4.09 A
assign (resid   16 and name  HB1) (resid   16 and name  HD2) 3.15 1.35 1.35 ! 0.0000  676:1  Intra  3.87, 3.90 A
assign (resid   26 and name  HB1) (resid   26 and name  HG1) 2.65 0.85 0.85 ! 0.9953  678:1  Intra  2.45, 2.98 A
assign (resid    2 and name  HG2) (resid    6 and name  HA1) 3.15 1.35 1.35 ! 0.7467  679:1  Ambig  3.16, 3.54 A
    or (resid    2 and name  HG2) (resid    8 and name  HB2)                ! 0.1794  679:1  -----  4.01, 4.37 A
assign (resid   34 and name  HG2) (resid    5 and name   HA) 2.65 0.85 0.85 ! 0.9685  680:1  Long   2.24, 2.47 A
assign (resid   18 and name   HB) (resid   18 and name   HA) 2.65 0.85 0.85 ! 0.6383  681:1  Ambig  3.03, 3.04 A
    or (resid   18 and name   HB) (resid    1 and name   HA)                ! 0.3617  681:1  -----  3.33, 3.65 A
assign (resid   27 and name   HB) (resid   27 and name   HA) 3.15 1.35 1.35 ! 0.8821  682:1  Intra  3.04, 3.04 A
assign (resid   30 and name  HG2) (resid   30 and name  HD1) 2.65 0.85 0.85 ! 0.0000  683:1  Intra  2.67, 2.69 A
assign (resid   30 and name  HG1) (resid   30 and name  HD1) 2.65 0.85 0.85 ! 0.0000  684:1  Intra  2.31, 2.33 A
assign (resid   30 and name  HG2) (resid   30 and name  HD2) 2.65 0.85 0.85 ! 0.0000  685:1  Intra  2.29, 2.32 A
assign (resid   30 and name  HG1) (resid   30 and name  HD2) 2.65 0.85 0.85 ! 0.9965  686:1  Intra  2.98, 2.99 A
assign (resid   16 and name  HG2) (resid   16 and name  HD1) 2.65 0.85 0.85 ! 0.9316  687:1  Intra  2.68, 2.94 A
assign (resid   16 and name  HG2) (resid   16 and name  HD2) 2.65 0.85 0.85 ! 0.9977  688:1  Intra  2.27, 2.30 A
assign (resid   11 and name HG11) (resid   11 and name   HA) 3.15 1.35 1.35 ! 0.9252  689:1  Intra  2.92, 3.02 A
assign (resid   24 and name HG2*) (resid   24 and name   HB) 2.65 0.85 0.85 ! 0.0000  690:1  Intra  2.43, 2.65 A
assign (resid    1 and name HG2*) (resid  101 and name   H5) 2.65 0.85 0.85 ! 0.9662  691:1  Long   1.94, 4.09 A
assign (resid   18 and name HG1*) (resid   18 and name   HA) 2.30 0.50 0.50 ! 0.5044  692:1  Ambig  2.50, 3.13 A
    or (resid   18 and name HG2*) (resid   18 and name   HA)                ! 0.4675  692:1  -----  2.53, 3.16 A
assign (resid   27 and name HG2*) (resid   27 and name   HA) 2.65 0.85 0.85 ! 0.9694  693:1  Intra  2.51, 3.16 A
assign (resid   11 and name HG2*) (resid   11 and name   HA) 2.65 0.85 0.85 ! 0.9842  694:1  Intra  2.51, 3.16 A
assign (resid   27 and name HG1*) (resid   27 and name   HA) 2.65 0.85 0.85 ! 0.0000  695:1  Intra  2.50, 3.14 A
assign (resid   23 and name HG2*) (resid    4 and name   HA) 3.15 1.35 1.35 ! 0.0000  696:1  Long   2.49, 3.97 A
assign (resid   11 and name HD1*) (resid   11 and name   HA) 3.65 1.85 1.85 ! 0.8978  697:1  Intra  4.39, 4.65 A
assign (resid   23 and name HG2*) (resid   23 and name   HB) 2.65 0.85 0.85 ! 0.9960  698:1  Intra  2.39, 2.63 A
assign (resid   31 and name   HA) (resid   31 and name  HB1) 3.65 1.85 1.85 ! 0.0000  699:1  Intra  2.40, 2.45 A
assign (resid   31 and name   HA) (resid   31 and name  HB2) 3.65 1.85 1.85 ! 0.8377  700:1  Intra  3.02, 3.03 A
assign (resid    9 and name  HA1) (resid   13 and name  HB*) 3.15 1.35 1.35 ! 0.8170  701:1  Mid    3.09, 4.53 A
assign (resid   30 and name  HD1) (resid   29 and name  HB*) 2.65 0.85 0.85 ! 0.0000  702:1  Seq    2.71, 3.45 A
assign (resid    5 and name   HA) (resid    5 and name  HB1) 3.15 1.35 1.35 ! 0.9907  703:1  Intra  2.52, 2.57 A
assign (resid    4 and name   HA) (resid    4 and name  HB1) 2.65 0.85 0.85 ! 0.9808  704:1  Intra  3.03, 3.04 A
assign (resid    4 and name   HA) (resid   35 and name  HB2) 2.65 0.85 0.85 ! 0.5224  705:1  Ambig  2.42, 2.60 A
    or (resid    4 and name   HA) (resid    4 and name  HB2)                ! 0.4668  705:1  -----  2.46, 2.52 A
assign (resid   30 and name  HD2) (resid   29 and name  HB*) 2.30 0.50 0.50 ! 0.0000  706:1  Seq    2.11, 2.84 A
assign (resid    6 and name  HA1) (resid    2 and name  HG1) 3.15 1.35 1.35 ! 0.9935  708:1  Mid    2.34, 2.72 A
assign (resid   25 and name  HB2) (resid    8 and name  HB1) 3.15 1.35 1.35 ! 0.9890  710:1  Long   2.63, 3.17 A
assign (resid    8 and name  HB2) (resid   25 and name  HB1) 3.15 1.35 1.35 ! 0.5112  712:1  Ambig  3.88, 4.02 A
    or (resid    6 and name  HA1) (resid   35 and name  HB2)                ! 0.4298  712:1  -----  3.99, 4.20 A
assign (resid   30 and name  HG2) (resid   29 and name  HB*) 3.65 1.85 1.85 ! 0.0000  722:1  Seq    4.41, 5.10 A
assign (resid   23 and name HG2*) (resid   35 and name  HB1) 3.15 1.35 1.35 ! 0.6341  724:1  Ambig  3.48, 4.43 A
    or (resid   23 and name HG2*) (resid    4 and name  HB1)                ! 0.3659  724:1  -----  3.82, 4.80 A
assign (resid   23 and name HG2*) (resid    4 and name  HB2) 3.15 1.35 1.35 ! 0.9828  725:1  Long   2.16, 3.21 A
assign (resid   30 and name   HA) (resid   30 and name  HG2) 3.65 1.85 1.85 ! 0.0000  726:1  Intra  3.84, 3.93 A
assign (resid   30 and name   HA) (resid   30 and name  HB1) 3.15 1.35 1.35 ! 0.9968  727:1  Intra  2.29, 2.31 A
assign (resid   30 and name  HD1) (resid   30 and name  HB1) 3.65 1.85 1.85 ! 0.0000  728:1  Intra  4.06, 4.08 A
assign (resid    7 and name   HA) (resid    7 and name  HB2) 3.15 1.35 1.35 ! 0.9819  729:1  Intra  2.43, 2.52 A
assign (resid   30 and name  HD1) (resid   30 and name  HG2) 3.15 1.35 1.35 ! 0.0000  730:1  Intra  2.67, 2.69 A
assign (resid   16 and name  HD2) (resid   16 and name  HB1) 3.15 1.35 1.35 ! 0.0000  731:1  Intra  3.87, 3.90 A
assign (resid   16 and name  HD1) (resid   16 and name  HG1) 2.65 0.85 0.85 ! 0.5187  733:1  Ambig  2.26, 2.30 A
    or (resid   30 and name  HD2) (resid   30 and name  HG2)                ! 0.4813  733:1  -----  2.29, 2.32 A
assign (resid    6 and name  HA1) (resid    2 and name  HG2) 3.15 1.35 1.35 ! 0.7590  734:1  Ambig  3.16, 3.54 A
    or (resid    8 and name  HB2) (resid    2 and name  HG2)                ! 0.1823  734:1  -----  4.01, 4.37 A
assign (resid   26 and name  HG1) (resid   26 and name  HB1) 2.65 0.85 0.85 ! 0.9953  740:1  Intra  2.45, 2.98 A
assign (resid   26 and name  HG2) (resid   26 and name  HB1) 2.30 0.50 0.50 ! 0.6017  741:1  Ambig  2.44, 2.51 A
    or (resid   30 and name  HB1) (resid   30 and name  HG2)                ! 0.3854  741:1  -----  2.63, 2.65 A
assign (resid   30 and name  HG2) (resid   30 and name  HB1) 2.30 0.50 0.50 ! 0.9854  742:1  Intra  2.63, 2.65 A
assign (resid    2 and name  HB2) (resid    2 and name  HG1) 2.65 0.85 0.85 ! 0.9173  744:1  Intra  3.00, 3.01 A
assign (resid   11 and name HD1*) (resid   30 and name  HB1) 3.15 1.35 1.35 ! 0.0000  749:1  Long   2.25, 3.57 A
assign (resid   30 and name   HA) (resid   30 and name  HG1) 3.65 1.85 1.85 ! 0.9779  750:1  Intra  2.82, 2.97 A
assign (resid    7 and name   HA) (resid    7 and name  HB1) 3.65 1.85 1.85 ! 0.0000  751:1  Intra  2.98, 3.02 A
assign (resid   18 and name   HA) (resid   18 and name   HB) 2.65 0.85 0.85 ! 0.5861  752:1  Ambig  3.03, 3.04 A
    or (resid    1 and name   HA) (resid   18 and name   HB)                ! 0.3322  752:1  -----  3.33, 3.65 A
assign (resid   30 and name  HD1) (resid   30 and name  HG1) 3.15 1.35 1.35 ! 0.9965  753:1  Intra  2.31, 2.33 A
assign (resid    1 and name   HA) (resid   16 and name  HB2) 3.65 1.85 1.85 ! 0.9490  754:1  Long   2.42, 2.97 A
assign (resid   16 and name  HD1) (resid   16 and name  HG1) 2.65 0.85 0.85 ! 0.7337  755:1  Ambig  2.26, 2.30 A
    or (resid   16 and name  HD1) (resid   16 and name  HG2)                ! 0.2663  755:1  -----  2.68, 2.94 A
assign (resid   16 and name  HD2) (resid   16 and name  HG2) 2.65 0.85 0.85 ! 0.7257  756:1  Ambig  2.27, 2.30 A
    or (resid   16 and name  HD2) (resid   16 and name  HG1)                ! 0.2743  756:1  -----  2.67, 2.75 A
assign (resid   30 and name  HD2) (resid   30 and name  HG1) 2.65 0.85 0.85 ! 0.9926  757:1  Intra  2.98, 2.99 A
assign (resid   16 and name  HD1) (resid   16 and name  HB2) 3.15 1.35 1.35 ! 0.6652  758:1  Ambig  3.88, 3.94 A
    or (resid   15 and name  HA1) (resid   16 and name  HB2)                ! 0.1441  758:1  -----  5.01, 5.50 A
assign (resid   16 and name  HD2) (resid   16 and name  HB2) 3.15 1.35 1.35 ! 0.7622  759:1  Ambig  3.01, 3.92 A
    or (resid    8 and name  HB2) (resid    2 and name  HB2)                ! 0.1294  759:1  -----  4.04, 4.75 A
assign (resid   11 and name   HA) (resid   11 and name HG11) 3.15 1.35 1.35 ! 0.0000  760:1  Intra  2.92, 3.02 A
assign (resid   16 and name  HB1) (resid   16 and name  HG1) 2.30 0.50 0.50 ! 0.7128  762:1  Ambig  2.29, 2.31 A
    or (resid   16 and name  HB1) (resid   16 and name  HG2)                ! 0.2759  762:1  -----  2.69, 2.95 A
assign (resid   26 and name  HG1) (resid   26 and name  HB2) 3.15 1.35 1.35 ! 0.9988  763:1  Intra  2.35, 2.40 A
assign (resid   30 and name  HB1) (resid   30 and name  HG1) 2.30 0.50 0.50 ! 0.5900  764:1  Ambig  2.31, 2.33 A
    or (resid   26 and name  HG2) (resid   26 and name  HB2)                ! 0.4050  764:1  -----  2.46, 2.98 A
assign (resid    2 and name  HG2) (resid    2 and name  HB2) 2.65 0.85 0.85 ! 0.9288  766:1  Intra  2.40, 2.45 A
assign (resid   34 and name  HG1) (resid   34 and name  HB2) 2.65 0.85 0.85 ! 0.9798  767:1  Intra  2.44, 2.49 A
assign (resid   26 and name  HG1) (resid   36 and name  HB2) 3.65 1.85 1.85 ! 0.9498  768:1  Long   2.07, 2.73 A
assign (resid    7 and name  HG2) (resid    7 and name  HB2) 2.65 0.85 0.85 ! 0.7228  775:1  Ambig  2.57, 2.97 A
    or (resid   28 and name HD1*) (resid   34 and name  HG2)                ! 0.2651  775:1  -----  3.04, 4.96 A
assign (resid   18 and name HG2*) (resid   18 and name   HB) 2.30 0.50 0.50 ! 0.5062  776:1  Ambig  2.42, 2.63 A
    or (resid   18 and name HG1*) (resid   18 and name   HB)                ! 0.4938  776:1  -----  2.43, 2.64 A
assign (resid   27 and name HG2*) (resid   27 and name   HB) 2.30 0.50 0.50 ! 0.4842  777:1  Ambig  2.42, 2.63 A
    or (resid   28 and name HD2*) (resid   26 and name  HB2)                ! 0.2555  777:1  -----  2.70, 3.90 A
    or (resid   28 and name HD2*) (resid   34 and name  HB1)                ! 0.2127  777:1  -----  2.78, 4.34 A
assign (resid   36 and name HD1*) (resid   36 and name  HB2) 2.30 0.50 0.50 ! 0.5297  778:1  Ambig  2.39, 3.02 A
    or (resid   36 and name HD1*) (resid   36 and name  HB1)                ! 0.4135  778:1  -----  2.49, 3.13 A
assign (resid   27 and name HG1*) (resid   27 and name   HB) 2.30 0.50 0.50 ! 0.9761  779:1  Intra  2.41, 2.63 A
assign (resid   11 and name HD1*) (resid   11 and name HG11) 2.30 0.50 0.50 ! 0.0000  781:1  Intra  2.42, 2.63 A
assign (resid    3 and name   HA) (resid   20 and name  HB*) 3.15 1.35 1.35 ! 0.0000  782:1  Long   2.00, 3.31 A
assign (resid   20 and name   HA) (resid   20 and name  HB*) 2.65 0.85 0.85 ! 0.8545  783:1  Intra  2.33, 2.61 A
assign (resid   30 and name   HA) (resid   30 and name  HB2) 3.15 1.35 1.35 ! 0.0000  784:1  Intra  2.97, 2.98 A
assign (resid    7 and name   HA) (resid    7 and name  HG2) 3.65 1.85 1.85 ! 0.9980  785:1  Intra  2.24, 3.02 A
assign (resid    1 and name   HB) (resid    1 and name HG2*) 2.65 0.85 0.85 ! 0.7006  786:1  Ambig  2.43, 2.66 A
    or (resid    1 and name   HB) (resid   20 and name  HB*)                ! 0.2994  786:1  -----  2.79, 5.48 A
assign (resid    1 and name   HA) (resid    1 and name HG2*) 2.65 0.85 0.85 ! 0.9742  787:1  Intra  2.19, 2.90 A
assign (resid  101 and name  H62) (resid    1 and name HG2*) 3.65 1.85 1.85 ! 0.5235  788:1  Ambig  3.48, 5.53 A
    or (resid  101 and name  H62) (resid   20 and name  HB*)                ! 0.4765  788:1  -----  3.54, 5.41 A
assign (resid   21 and name  HB*) (resid   20 and name  HB*) 3.15 1.35 1.35 ! 0.0000  789:1  Seq    3.85, 5.66 A
assign (resid   30 and name  HD1) (resid   30 and name  HB2) 3.65 1.85 1.85 ! 0.0000  790:1  Intra  3.83, 3.86 A
assign (resid   24 and name   HB) (resid   24 and name HG2*) 2.65 0.85 0.85 ! 0.0000  792:1  Intra  2.43, 2.65 A
assign (resid   18 and name   HA) (resid   18 and name HG1*) 2.30 0.50 0.50 ! 0.4915  793:1  Ambig  2.50, 3.13 A
    or (resid   18 and name   HA) (resid   18 and name HG2*)                ! 0.4556  793:1  -----  2.53, 3.16 A
assign (resid   27 and name   HA) (resid   27 and name HG1*) 3.15 1.35 1.35 ! 0.0000  794:1  Intra  2.50, 3.14 A
assign (resid  101 and name  H61) (resid    1 and name HG2*) 3.15 1.35 1.35 ! 0.7858  795:1  Ambig  2.56, 4.46 A
    or (resid  101 and name  H61) (resid   20 and name  HB*)                ! 0.0783  795:1  -----  3.77, 5.34 A
assign (resid  101 and name   H5) (resid    1 and name HG2*) 2.65 0.85 0.85 ! 0.9740  796:1  Long   1.94, 4.09 A
assign (resid  101 and name   H4) (resid   20 and name  HB1) 3.15 1.35 1.35 ! 0.9337  797:1  Ambig  3.00, 5.06 A
    or (resid  101 and name   H4) (resid    1 and name HG21)                ! 0.0000  797:1  -----  0.00, 0.00 A
assign (resid    8 and name  HB2) (resid   17 and name HG2*) 3.65 1.85 1.85 ! 0.9729  798:1  Long   4.21, 5.33 A
assign (resid    9 and name  HA2) (resid   17 and name HG2*) 3.15 1.35 1.35 ! 0.7705  799:1  Ambig  2.39, 3.74 A
    or (resid   11 and name   HA) (resid   11 and name   HB)                ! 0.1829  799:1  -----  3.03, 3.04 A
assign (resid   30 and name  HD2) (resid   30 and name  HB2) 3.15 1.35 1.35 ! 0.0000  800:1  Intra  2.83, 2.89 A
assign (resid   11 and name   HA) (resid   11 and name HG12) 3.15 1.35 1.35 ! 0.9966  802:1  Intra  2.51, 2.55 A
assign (resid   11 and name   HA) (resid   11 and name HG2*) 2.65 0.85 0.85 ! 0.0000  803:1  Intra  2.51, 3.16 A
assign (resid   12 and name  HA2) (resid   11 and name HG2*) 3.15 1.35 1.35 ! 0.9798  804:1  Seq    3.71, 4.71 A
assign (resid   33 and name  HB1) (resid   27 and name HG2*) 3.65 1.85 1.85 ! 0.9926  805:1  Long   2.73, 4.01 A
assign (resid   30 and name  HG2) (resid   30 and name  HB2) 2.65 0.85 0.85 ! 0.0000  808:1  Intra  2.32, 2.34 A
assign (resid   34 and name  HG2) (resid   36 and name HD2*) 2.65 0.85 0.85 ! 0.6703  809:1  Ambig  2.17, 3.60 A
    or (resid    7 and name  HB2) (resid    7 and name  HG2)                ! 0.2378  809:1  -----  2.57, 2.97 A
assign (resid   28 and name   HG) (resid   28 and name HD1*) 3.15 1.35 1.35 ! 0.5087  810:1  Ambig  2.39, 2.62 A
    or (resid   28 and name  HB1) (resid   28 and name HD1*)                ! 0.4913  810:1  -----  2.41, 3.05 A
assign (resid   18 and name   HB) (resid   18 and name HG2*) 2.30 0.50 0.50 ! 0.5062  811:1  Ambig  2.42, 2.63 A
    or (resid   18 and name   HB) (resid   18 and name HG1*)                ! 0.4938  811:1  -----  2.43, 2.64 A
assign (resid   28 and name   HG) (resid   28 and name HD2*) 2.65 0.85 0.85 ! 0.5314  812:1  Ambig  2.40, 2.62 A
    or (resid   28 and name  HB1) (resid   28 and name HD2*)                ! 0.4373  812:1  -----  2.48, 3.14 A
assign (resid   26 and name  HB2) (resid   36 and name HD1*) 2.30 0.50 0.50 ! 0.5856  813:1  Ambig  2.11, 3.68 A
    or (resid   27 and name   HB) (resid   27 and name HG2*)                ! 0.2541  813:1  -----  2.42, 2.63 A
assign (resid   34 and name  HG2) (resid   36 and name HD1*) 2.65 0.85 0.85 ! 0.8047  814:1  Mid    3.34, 4.39 A
assign (resid   27 and name   HB) (resid   27 and name HG1*) 2.30 0.50 0.50 ! 0.9897  815:1  Intra  2.41, 2.63 A
assign (resid   36 and name  HB2) (resid   36 and name HD1*) 2.30 0.50 0.50 ! 0.9106  817:1  Intra  2.39, 3.02 A
assign (resid   11 and name HD1*) (resid   11 and name   HB) 2.65 0.85 0.85 ! 0.0000  818:1  Intra  2.55, 3.16 A
assign (resid   11 and name HD1*) (resid   11 and name HG2*) 2.30 0.50 0.50 ! 0.0000  820:1  Intra  2.01, 3.65 A
assign (resid    4 and name   HA) (resid   23 and name HG2*) 3.15 1.35 1.35 ! 0.0000  821:1  Long   2.49, 3.97 A
assign (resid   23 and name   HB) (resid   23 and name HG2*) 2.65 0.85 0.85 ! 0.0000  822:1  Intra  2.39, 2.63 A
assign (resid   19 and name  HB1) (resid   23 and name HG2*) 3.65 1.85 1.85 ! 0.0000  823:1  Mid    4.25, 4.81 A
assign (resid    4 and name  HB2) (resid   23 and name HG2*) 3.15 1.35 1.35 ! 0.0000  824:1  Long   2.16, 3.21 A
assign (resid   30 and name  HB1) (resid   11 and name HD1*) 3.15 1.35 1.35 ! 0.0000  825:1  Long   2.25, 3.57 A
assign (resid   11 and name HG11) (resid   11 and name HD1*) 2.65 0.85 0.85 ! 0.0000  827:1  Intra  2.42, 2.63 A
assign (resid   36 and name   HN) (resid   24 and name   HN) 2.65 0.85 0.85 ! 0.9646  828:1  Long   2.72, 2.90 A
assign (resid   34 and name   HN) (resid   28 and name   HN) 3.15 1.35 1.35 ! 0.8261  829:1  Long   3.16, 3.44 A
assign (resid    6 and name   HN) (resid    5 and name   HN) 3.15 1.35 1.35 ! 0.0000  830:1  Seq    2.46, 2.57 A
assign (resid   32 and name  HE*) (resid    7 and name   HN) 3.65 1.85 1.85 ! 0.9494  831:1  Long   4.16, 5.76 A
assign (resid    5 and name  HE*) (resid    4 and name  HE1) 3.65 1.85 1.85 ! 0.0000  832:1  Seq    2.22, 4.42 A
assign (resid   13 and name  HD*) (resid   10 and name   HN) 3.15 1.35 1.35 ! 0.5306  833:1  Ambig  3.24, 4.26 A
    or (resid   32 and name  HD*) (resid   29 and name   HN)                ! 0.2555  833:1  -----  3.66, 5.36 A
    or (resid   32 and name  HD*) (resid   28 and name   HN)                ! 0.1924  833:1  -----  3.84, 5.67 A
assign (resid   13 and name  HD*) (resid   14 and name   HN) 3.65 1.85 1.85 ! 0.9946  834:1  Seq    3.10, 4.22 A
assign (resid   24 and name   HN) (resid   25 and name   HN) 3.65 1.85 1.85 ! 0.8916  835:1  Seq    4.41, 4.46 A
assign (resid    5 and name   HN) (resid    4 and name   HN) 3.65 1.85 1.85 ! 0.0000  836:1  Seq    4.51, 4.56 A
assign (resid   13 and name   HN) (resid   14 and name   HN) 3.65 1.85 1.85 ! 0.5688  837:1  Ambig  4.20, 4.37 A
    or (resid   13 and name   HN) (resid   11 and name   HN)                ! 0.4312  837:1  -----  4.40, 4.59 A
assign (resid   31 and name  HD*) (resid   11 and name   HN) 3.65 1.85 1.85 ! 0.0000  839:1  Long   3.73, 5.05 A
assign (resid   13 and name  HD*) (resid   13 and name   HN) 3.15 1.35 1.35 ! 0.4336  840:1  Ambig  4.63, 4.80 A
    or (resid   32 and name  HD*) (resid   32 and name   HN)                ! 0.3740  840:1  -----  4.74, 4.89 A
assign (resid    5 and name  HD*) (resid   34 and name HE21) 3.15 1.35 1.35 ! 0.0000  841:1  Long   2.52, 5.07 A
assign (resid    6 and name   HN) (resid   35 and name   HN) 3.65 1.85 1.85 ! 0.0000  842:1  Long   2.76, 3.23 A
assign (resid    7 and name   HN) (resid    2 and name HE22) 3.65 1.85 1.85 ! 0.0000  843:1  Long   3.18, 4.43 A
assign (resid   10 and name   HN) (resid   13 and name  HD*) 3.65 1.85 1.85 ! 0.6637  844:1  Ambig  3.24, 4.26 A
    or (resid   29 and name   HN) (resid   32 and name  HD*)                ! 0.3196  844:1  -----  3.66, 5.36 A
assign (resid   14 and name   HN) (resid   13 and name  HD*) 3.65 1.85 1.85 ! 0.9946  845:1  Seq    3.10, 4.22 A
assign (resid    4 and name  HE1) (resid    5 and name  HD*) 3.65 1.85 1.85 ! 0.7259  846:1  Ambig  3.36, 5.45 A
    or (resid    4 and name  HE1) (resid    4 and name  HD2)                ! 0.1881  846:1  -----  4.21, 4.23 A
assign (resid   11 and name   HN) (resid   31 and name  HD*) 3.65 1.85 1.85 ! 0.0000  847:1  Long   3.73, 5.05 A
assign (resid   14 and name   HN) (resid   13 and name   HN) 3.65 1.85 1.85 ! 0.4524  848:1  Ambig  4.20, 4.37 A
    or (resid   11 and name   HN) (resid   13 and name   HN)                ! 0.3430  848:1  -----  4.40, 4.59 A
    or (resid   11 and name   HN) (resid   32 and name   HN)                ! 0.2046  848:1  -----  4.79, 4.95 A
assign (resid   26 and name   HN) (resid   27 and name   HN) 3.65 1.85 1.85 ! 0.8047  849:1  Seq    4.21, 4.32 A
assign (resid   10 and name   HN) (resid    9 and name   HN) 3.65 1.85 1.85 ! 0.8309  850:1  Seq    2.45, 3.16 A
assign (resid    7 and name   HN) (resid   32 and name  HE*) 3.65 1.85 1.85 ! 0.0000  851:1  Long   4.16, 5.76 A
assign (resid   13 and name  HD*) (resid    7 and name HE21) 2.65 0.85 0.85 ! 0.7397  852:1  Ambig  2.76, 4.65 A
    or (resid   32 and name  HD*) (resid    7 and name HE21)                ! 0.2603  852:1  -----  3.29, 5.47 A
assign (resid    7 and name HE21) (resid   13 and name  HD*) 3.15 1.35 1.35 ! 0.7397  855:1  Ambig  2.76, 4.65 A
    or (resid    7 and name HE21) (resid   32 and name  HD*)                ! 0.2603  855:1  -----  3.29, 5.47 A
assign (resid    7 and name HE21) (resid   33 and name   HN) 3.15 1.35 1.35 ! 0.9154  856:1  Long   2.37, 3.09 A
assign (resid   33 and name   HN) (resid    7 and name HE21) 3.65 1.85 1.85 ! 0.0000  857:1  Long   2.37, 3.09 A
assign (resid   13 and name  HE*) (resid   13 and name  HD*) 2.30 0.50 0.50 ! 0.0000  858:1  Intra  2.41, 3.68 A
assign (resid   32 and name  HE*) (resid   34 and name HE21) 3.15 1.35 1.35 ! 0.9836  859:1  Mid    2.35, 4.13 A
assign (resid   19 and name   HN) (resid   19 and name   HA) 2.65 0.85 0.85 ! 0.9589  860:1  Intra  2.82, 2.87 A
assign (resid   11 and name   HN) (resid   10 and name  HA2) 3.15 1.35 1.35 ! 0.9849  861:1  Seq    2.46, 2.58 A
assign (resid   14 and name   HN) (resid   14 and name   HA) 2.65 0.85 0.85 ! 0.9972  862:1  Intra  2.90, 2.93 A
assign (resid   18 and name   HN) (resid   17 and name   HB) 3.65 1.85 1.85 ! 0.9698  863:1  Seq    3.62, 3.99 A
assign (resid   18 and name   HN) (resid   17 and name   HA) 3.65 1.85 1.85 ! 0.0000  864:1  Seq    3.29, 3.39 A
assign (resid   31 and name  HD*) (resid   30 and name  HD1) 3.65 1.85 1.85 ! 0.0000  866:1  Seq    4.58, 6.75 A
assign (resid    7 and name HE22) (resid   10 and name  HA1) 4.15 2.35 2.35 ! 0.9461  867:1  Mid    2.39, 3.73 A
assign (resid   26 and name HE21) (resid   24 and name   HB) 3.65 1.85 1.85 ! 0.0000  868:1  Mid    3.63, 4.34 A
assign (resid   13 and name  HD*) (resid   15 and name   HN) 3.65 1.85 1.85 ! 0.9682  869:1  Mid    2.11, 3.68 A
assign (resid   33 and name   HN) (resid   10 and name  HA2) 3.15 1.35 1.35 ! 0.5636  870:1  Ambig  3.67, 4.00 A
    or (resid   33 and name   HN) (resid    7 and name   HA)                ! 0.3811  870:1  -----  3.92, 4.08 A
assign (resid   24 and name   HN) (resid   24 and name   HB) 3.15 1.35 1.35 ! 0.9529  871:1  Intra  3.64, 3.69 A
assign (resid   31 and name  HE*) (resid   30 and name  HD2) 3.65 1.85 1.85 ! 0.7935  872:1  Ambig  3.95, 6.15 A
    or (resid   31 and name  HE*) (resid   12 and name  HA2)                ! 0.1707  872:1  -----  5.10, 7.86 A
assign (resid   34 and name   HN) (resid   33 and name  HB2) 3.15 1.35 1.35 ! 0.5779  873:1  Ambig  3.90, 4.05 A
    or (resid   12 and name   HN) (resid   13 and name  HB*)                ! 0.2257  873:1  -----  4.56, 4.87 A
assign (resid    4 and name  HD2) (resid    4 and name  HB1) 3.15 1.35 1.35 ! 0.9193  874:1  Intra  3.83, 3.94 A
assign (resid    8 and name   HN) (resid    7 and name  HB1) 3.65 1.85 1.85 ! 0.9486  875:1  Seq    3.82, 4.24 A
assign (resid   34 and name HE21) (resid   34 and name  HG2) 3.15 1.35 1.35 ! 0.9899  876:1  Intra  2.15, 3.19 A
assign (resid   29 and name HD21) (resid   28 and name  HB2) 3.65 1.85 1.85 ! 0.9978  877:1  Seq    2.10, 3.63 A
assign (resid   34 and name HE21) (resid   34 and name  HB1) 3.65 1.85 1.85 ! 0.9715  878:1  Intra  2.91, 3.80 A
assign (resid   20 and name   HN) (resid    2 and name  HB1) 3.65 1.85 1.85 ! 0.0000  879:1  Long   3.55, 4.08 A
assign (resid   34 and name HE21) (resid   34 and name  HB2) 3.65 1.85 1.85 ! 0.9439  880:1  Intra  2.78, 3.06 A
assign (resid   29 and name HD22) (resid   28 and name  HB2) 3.65 1.85 1.85 ! 0.9963  881:1  Seq    2.50, 3.65 A
assign (resid   29 and name HD22) (resid   28 and name  HB2) 3.65 1.85 1.85 ! 0.7569  882:1  Ambig  2.50, 3.65 A
    or (resid   26 and name HE21) (resid   26 and name  HB2)                ! 0.2372  882:1  -----  3.04, 3.90 A
assign (resid   31 and name  HD*) (resid   30 and name  HB1) 3.65 1.85 1.85 ! 0.0000  883:1  Seq    3.88, 5.45 A
assign (resid    7 and name HE21) (resid    7 and name  HB1) 3.65 1.85 1.85 ! 0.0000  884:1  Intra  4.01, 4.24 A
assign (resid   31 and name  HD*) (resid   11 and name HG11) 3.65 1.85 1.85 ! 0.0000  885:1  Long   4.39, 5.57 A
assign (resid   33 and name   HN) (resid    7 and name  HG1) 3.15 1.35 1.35 ! 0.9993  886:1  Long   2.08, 2.41 A
assign (resid   34 and name HE22) (resid   34 and name  HG2) 3.15 1.35 1.35 ! 0.6429  887:1  Ambig  3.42, 3.90 A
    or (resid   33 and name   HN) (resid    7 and name  HB2)                ! 0.1754  887:1  -----  4.25, 4.60 A
assign (resid   29 and name   HN) (resid   28 and name  HB2) 2.65 0.85 0.85 ! 0.9852  888:1  Seq    2.26, 2.54 A
assign (resid    2 and name HE21) (resid    2 and name  HB1) 3.65 1.85 1.85 ! 0.9660  889:1  Intra  3.36, 3.79 A
assign (resid   32 and name  HE*) (resid   28 and name   HG) 3.65 1.85 1.85 ! 0.7307  890:1  Ambig  3.95, 5.93 A
    or (resid   32 and name  HE*) (resid   28 and name  HB1)                ! 0.2693  890:1  -----  4.67, 6.79 A
assign (resid   32 and name  HE*) (resid    7 and name  HB1) 3.15 1.35 1.35 ! 0.0000  891:1  Long   3.94, 5.79 A
assign (resid    5 and name   HN) (resid   34 and name  HG2) 3.65 1.85 1.85 ! 0.0000  892:1  Long   2.86, 3.28 A
assign (resid   12 and name   HN) (resid   11 and name HD1*) 3.65 1.85 1.85 ! 0.0000  893:1  Seq    5.77, 6.39 A
assign (resid    7 and name   HN) (resid    2 and name  HG1) 3.65 1.85 1.85 ! 0.9357  894:1  Long   4.06, 4.38 A
assign (resid   19 and name   HN) (resid   25 and name  HB2) 3.65 1.85 1.85 ! 0.0000  895:1  Long   3.68, 4.11 A
assign (resid   29 and name   HN) (resid   28 and name HD2*) 3.15 1.35 1.35 ! 0.5058  896:1  Ambig  4.85, 5.55 A
    or (resid   29 and name   HN) (resid   27 and name HG2*)                ! 0.3635  896:1  -----  5.13, 6.19 A
assign (resid   11 and name   HN) (resid   11 and name HG2*) 3.15 1.35 1.35 ! 0.7848  897:1  Ambig  4.40, 4.56 A
    or (resid   11 and name   HN) (resid   27 and name HG2*)                ! 0.2152  897:1  -----  5.46, 7.06 A
assign (resid   26 and name HE21) (resid   24 and name HG2*) 3.65 1.85 1.85 ! 0.0000  898:1  Mid    4.24, 5.39 A
assign (resid   29 and name HD22) (resid   28 and name HD1*) 3.65 1.85 1.85 ! 0.0000  899:1  Seq    3.31, 5.29 A
assign (resid   29 and name HD22) (resid   28 and name HD2*) 4.15 2.35 2.35 ! 0.0000  900:1  Seq    5.20, 7.01 A
assign (resid   26 and name HE21) (resid   36 and name HD1*) 3.65 1.85 1.85 ! 0.7756  901:1  Ambig  3.77, 4.91 A
    or (resid   26 and name HE21) (resid   28 and name HD2*)                ! 0.1125  901:1  -----  5.19, 6.92 A
assign (resid   34 and name  HB1) (resid   34 and name   HN) 3.15 1.35 1.35 ! 0.9834  902:1  Intra  2.56, 2.67 A
assign (resid   28 and name HD1*) (resid   34 and name   HN) 3.65 1.85 1.85 ! 0.7845  903:1  Ambig  3.95, 4.64 A
    or (resid    7 and name  HG2) (resid   34 and name   HN)                ! 0.1807  903:1  -----  5.05, 6.31 A
assign (resid    7 and name  HG2) (resid   10 and name   HN) 3.65 1.85 1.85 ! 0.9390  904:1  Mid    2.37, 3.08 A
assign (resid   36 and name HD2*) (resid   36 and name   HN) 3.65 1.85 1.85 ! 0.5673  905:1  Ambig  4.10, 4.91 A
    or (resid   11 and name HG12) (resid   12 and name   HN)                ! 0.3838  905:1  -----  4.37, 4.48 A
assign (resid    7 and name  HG2) (resid    8 and name   HN) 3.15 1.35 1.35 ! 0.9535  906:1  Seq    3.15, 3.46 A
assign (resid   36 and name HD2*) (resid   34 and name HE21) 3.65 1.85 1.85 ! 0.0000  907:1  Mid    1.80, 5.41 A
assign (resid   23 and name HG2*) (resid   36 and name   HN) 3.65 1.85 1.85 ! 0.0000  908:1  Long   4.67, 5.47 A
assign (resid   36 and name HD2*) (resid    5 and name   HN) 3.65 1.85 1.85 ! 0.9875  909:1  Long   2.90, 4.14 A
assign (resid   24 and name   HA) (resid   25 and name   HN) 3.65 1.85 1.85 ! 0.9953  910:1  Seq    2.20, 2.29 A
assign (resid   16 and name   HA) (resid   17 and name   HN) 3.65 1.85 1.85 ! 0.0000  911:1  Seq    2.11, 2.18 A
assign (resid    2 and name  HG2) (resid    3 and name   HN) 3.15 1.35 1.35 ! 0.9280  913:1  Seq    3.71, 4.00 A
assign (resid   16 and name  HB2) (resid   17 and name   HN) 3.65 1.85 1.85 ! 0.8099  916:1  Seq    3.73, 3.99 A
assign (resid   16 and name  HG1) (resid    2 and name HE22) 3.65 1.85 1.85 ! 0.0000  917:1  Long   3.29, 3.90 A
assign (resid   36 and name  HB2) (resid   26 and name HE21) 3.65 1.85 1.85 ! 0.8732  918:1  Long   1.97, 2.47 A
assign (resid   18 and name   HB) (resid   17 and name   HN) 3.65 1.85 1.85 ! 0.0000  919:1  Seq    4.38, 4.74 A
assign (resid   16 and name  HG1) (resid    2 and name HE21) 3.65 1.85 1.85 ! 0.9708  920:1  Long   3.47, 4.23 A
assign (resid    2 and name  HB2) (resid    2 and name HE21) 3.65 1.85 1.85 ! 0.9601  921:1  Intra  1.79, 2.51 A
assign (resid   34 and name  HB2) (resid   35 and name   HN) 3.65 1.85 1.85 ! 0.8821  922:1  Seq    3.90, 4.05 A
assign (resid   34 and name  HB1) (resid   34 and name HE21) 3.65 1.85 1.85 ! 0.0000  923:1  Intra  2.91, 3.80 A
assign (resid    1 and name HG2*) (resid   18 and name   HN) 3.65 1.85 1.85 ! 0.8207  924:1  Long   3.54, 4.91 A
assign (resid   15 and name  HA1) (resid   13 and name  HE*) 3.65 1.85 1.85 ! 0.0000  925:1  Mid    2.56, 3.91 A
assign (resid   23 and name   HB) (resid    4 and name  HD2) 3.65 1.85 1.85 ! 0.9832  926:1  Long   2.59, 3.08 A
assign (resid    2 and name  HB2) (resid    2 and name HE22) 3.65 1.85 1.85 ! 0.5235  927:1  Ambig  3.37, 3.71 A
    or (resid   16 and name  HB2) (resid    2 and name HE22)                ! 0.4765  927:1  -----  3.43, 4.51 A
assign (resid   28 and name HD2*) (resid   32 and name  HD*) 3.65 1.85 1.85 ! 0.0000  928:1  Mid    5.22, 7.49 A
assign (resid   28 and name HD2*) (resid   32 and name  HE*) 3.15 1.35 1.35 ! 0.0000  929:1  Mid    5.23, 7.79 A
assign (resid   28 and name HD1*) (resid   29 and name HD22) 3.15 1.35 1.35 ! 0.5677  930:1  Ambig  3.31, 5.29 A
    or (resid    7 and name  HG2) (resid    7 and name HE22)                ! 0.4323  930:1  -----  3.47, 3.61 A
assign (resid   36 and name HD1*) (resid   26 and name HE21) 3.15 1.35 1.35 ! 0.7756  931:1  Ambig  3.77, 4.91 A
    or (resid   28 and name HD2*) (resid   26 and name HE21)                ! 0.1125  931:1  -----  5.19, 6.92 A
assign (resid   34 and name  HB2) (resid   32 and name  HD*) 3.65 1.85 1.85 ! 0.0000  932:1  Mid    3.31, 4.64 A
assign (resid   36 and name HD2*) (resid   34 and name HE22) 3.15 1.35 1.35 ! 0.0000  933:1  Mid    2.97, 5.29 A
assign (resid   27 and name HG1*) (resid   28 and name   HA) 3.65 1.85 1.85 ! 0.0000  934:1  Seq    4.04, 5.38 A
assign (resid   27 and name HG2*) (resid   26 and name   HA) 3.15 1.35 1.35 ! 0.7125  936:1  Ambig  3.51, 4.61 A
    or (resid   28 and name HD2*) (resid   26 and name   HA)                ! 0.1420  936:1  -----  4.59, 5.86 A
assign (resid   36 and name HD1*) (resid   36 and name   HA) 3.15 1.35 1.35 ! 0.0000  937:1  Intra  4.39, 4.69 A
assign (resid   11 and name HG2*) (resid   12 and name  HA1) 3.15 1.35 1.35 ! 0.6451  938:1  Ambig  3.50, 4.71 A
    or (resid   27 and name HG2*) (resid   10 and name  HA2)                ! 0.3391  938:1  -----  3.90, 5.47 A
assign (resid   27 and name HG1*) (resid   30 and name   HA) 3.65 1.85 1.85 ! 0.0000  939:1  Mid    2.99, 3.57 A
assign (resid   11 and name HD1*) (resid   31 and name   HA) 3.65 1.85 1.85 ! 0.0000  940:1  Long   3.07, 4.92 A
assign (resid   23 and name HG2*) (resid   22 and name  HA1) 3.65 1.85 1.85 ! 0.8356  941:1  Seq    3.78, 4.86 A
assign (resid   28 and name HD1*) (resid   28 and name   HA) 3.65 1.85 1.85 ! 0.8773  942:1  Intra  4.31, 4.69 A
assign (resid    7 and name  HG2) (resid    7 and name   HA) 3.15 1.35 1.35 ! 0.9858  943:1  Intra  2.24, 3.02 A
assign (resid   27 and name HG2*) (resid   33 and name  HB1) 3.65 1.85 1.85 ! 0.9926  946:1  Long   2.73, 4.01 A
assign (resid   36 and name HD2*) (resid    5 and name  HB1) 3.65 1.85 1.85 ! 0.7110  947:1  Ambig  4.68, 5.70 A
    or (resid   36 and name HD2*) (resid    4 and name  HB1)                ! 0.2890  947:1  -----  5.43, 6.81 A
assign (resid    7 and name  HG2) (resid   13 and name  HB*) 3.65 1.85 1.85 ! 0.6670  948:1  Ambig  3.07, 3.97 A
    or (resid    7 and name  HG2) (resid   33 and name  HB2)                ! 0.2620  948:1  -----  3.58, 3.97 A
assign (resid    2 and name  HB1) (resid   19 and name   HA) 3.65 1.85 1.85 ! 0.9985  949:1  Long   1.92, 2.29 A
assign (resid   28 and name  HB2) (resid   29 and name   HA) 3.65 1.85 1.85 ! 0.8310  950:1  Seq    4.42, 4.61 A
assign (resid   16 and name  HG2) (resid   16 and name   HA) 3.65 1.85 1.85 ! 0.0000  951:1  Intra  3.85, 3.89 A
assign (resid   30 and name  HB2) (resid   30 and name   HA) 2.65 0.85 0.85 ! 0.0000  952:1  Intra  2.97, 2.98 A
assign (resid   11 and name   HB) (resid   31 and name   HA) 3.15 1.35 1.35 ! 0.0000  953:1  Long   2.26, 2.63 A
assign (resid    1 and name HG2*) (resid  101 and name  H61) 3.15 1.35 1.35 ! 0.7462  955:1  Ambig  2.56, 4.46 A
    or (resid   20 and name  HB*) (resid  101 and name  H61)                ! 0.0744  955:1  -----  3.77, 5.34 A
assign (resid   35 and name  HB1) (resid   19 and name  HB1) 2.65 0.85 0.85 ! 0.0000  956:1  Long   2.12, 2.27 A
assign (resid   35 and name  HB1) (resid   23 and name   HB) 2.65 0.85 0.85 ! 0.9989  957:1  Long   2.24, 2.64 A
assign (resid    2 and name  HG1) (resid    6 and name  HA1) 2.65 0.85 0.85 ! 0.9902  958:1  Mid    2.34, 2.72 A
assign (resid    2 and name  HB1) (resid    2 and name  HG1) 2.65 0.85 0.85 ! 0.9739  959:1  Intra  2.41, 2.45 A
assign (resid   26 and name  HB2) (resid   26 and name  HG1) 2.65 0.85 0.85 ! 0.9988  960:1  Intra  2.35, 2.40 A
assign (resid    2 and name  HB1) (resid    2 and name  HG2) 2.65 0.85 0.85 ! 0.9855  961:1  Intra  2.35, 2.41 A
assign (resid   26 and name  HB2) (resid   26 and name  HG2) 2.65 0.85 0.85 ! 0.9920  962:1  Intra  2.46, 2.98 A
assign (resid   16 and name  HB2) (resid   16 and name  HD2) 3.65 1.85 1.85 ! 0.7506  963:1  Ambig  3.01, 3.92 A
    or (resid    2 and name  HB2) (resid    8 and name  HB2)                ! 0.1274  963:1  -----  4.04, 4.75 A
assign (resid   28 and name  HB2) (resid   29 and name  HB*) 3.65 1.85 1.85 ! 0.9812  964:1  Seq    3.88, 4.66 A
assign (resid   28 and name  HB1) (resid   29 and name  HB*) 3.65 1.85 1.85 ! 0.8411  965:1  Seq    4.53, 5.50 A
assign (resid    2 and name  HB1) (resid    8 and name  HB2) 3.65 1.85 1.85 ! 0.7183  966:1  Ambig  3.91, 4.35 A
    or (resid    2 and name  HB1) (resid    6 and name  HA1)                ! 0.2350  966:1  -----  4.71, 5.11 A
assign (resid   36 and name  HB2) (resid   26 and name  HG1) 3.15 1.35 1.35 ! 0.9994  967:1  Long   2.07, 2.73 A
assign (resid   34 and name  HB2) (resid   34 and name  HG1) 2.30 0.50 0.50 ! 0.9589  968:1  Intra  2.44, 2.49 A
assign (resid   34 and name  HB1) (resid   36 and name   HG) 3.15 1.35 1.35 ! 0.0000  970:1  Mid    2.65, 3.02 A
assign (resid   30 and name  HG1) (resid   30 and name  HB2) 3.15 1.35 1.35 ! 0.0000  971:1  Intra  2.99, 3.00 A
assign (resid   18 and name   HB) (resid    1 and name HG2*) 3.15 1.35 1.35 ! 0.9996  972:1  Long   1.90, 2.90 A
assign (resid   34 and name  HG2) (resid   36 and name   HG) 3.15 1.35 1.35 ! 0.9889  973:1  Mid    2.17, 2.41 A
assign (resid   16 and name  HB2) (resid   16 and name  HD1) 3.65 1.85 1.85 ! 0.6919  974:1  Ambig  3.88, 3.94 A
    or (resid   16 and name  HB2) (resid   15 and name  HA1)                ! 0.1499  974:1  -----  5.01, 5.50 A
assign (resid   16 and name  HB2) (resid    1 and name   HA) 3.65 1.85 1.85 ! 0.9414  975:1  Long   2.42, 2.97 A
assign (resid    7 and name  HB1) (resid    7 and name  HG2) 3.15 1.35 1.35 ! 0.0000  976:1  Intra  2.40, 2.49 A
assign (resid   30 and name  HB2) (resid   30 and name  HG2) 2.65 0.85 0.85 ! 0.0000  977:1  Intra  2.32, 2.34 A
assign (resid   30 and name  HB2) (resid   30 and name  HG1) 3.15 1.35 1.35 ! 0.0000  978:1  Intra  2.99, 3.00 A
assign (resid    2 and name  HG1) (resid    2 and name  HB2) 2.65 0.85 0.85 ! 0.9173  979:1  Intra  3.00, 3.01 A
assign (resid    2 and name  HG1) (resid    2 and name  HB1) 2.65 0.85 0.85 ! 0.0000  980:1  Intra  2.41, 2.45 A
assign (resid   11 and name   HB) (resid   11 and name   HA) 3.15 1.35 1.35 ! 0.9414  982:1  Intra  3.03, 3.04 A
assign (resid   17 and name HG2*) (resid    8 and name  HB2) 3.65 1.85 1.85 ! 0.7518  983:1  Ambig  4.21, 5.33 A
    or (resid   17 and name HG2*) (resid   16 and name  HD2)                ! 0.2272  983:1  -----  5.14, 6.36 A
assign (resid   11 and name HG12) (resid   11 and name   HA) 3.15 1.35 1.35 ! 0.0000  984:1  Intra  2.51, 2.55 A
assign (resid   36 and name HD2*) (resid    5 and name  HB2) 3.65 1.85 1.85 ! 0.0000  985:1  Long   5.02, 5.88 A
assign (resid   23 and name HG2*) (resid   19 and name  HB1) 3.65 1.85 1.85 ! 0.6177  986:1  Ambig  4.25, 4.81 A
    or (resid   23 and name HG2*) (resid   22 and name  HA2)                ! 0.3179  986:1  -----  4.74, 5.73 A
assign (resid   16 and name   HA) (resid   16 and name  HB1) 3.65 1.85 1.85 ! 0.0000  987:1  Intra  2.28, 2.30 A
assign (resid    7 and name   HA) (resid    7 and name  HG1) 3.65 1.85 1.85 ! 0.0000  988:1  Intra  2.49, 2.66 A
assign (resid   19 and name  HB1) (resid   35 and name  HB1) 3.15 1.35 1.35 ! 0.9991  989:1  Long   2.12, 2.27 A
assign (resid   19 and name  HB1) (resid   35 and name  HB2) 3.15 1.35 1.35 ! 0.8810  990:1  Long   3.63, 3.78 A
assign (resid    8 and name  HB2) (resid   25 and name  HB2) 3.15 1.35 1.35 ! 0.0000  991:1  Long   2.48, 2.66 A
assign (resid    9 and name  HA2) (resid   13 and name  HB*) 2.65 0.85 0.85 ! 0.9091  992:1  Mid    1.93, 2.95 A
assign (resid   35 and name  HB1) (resid   23 and name HG2*) 3.15 1.35 1.35 ! 0.0000  993:1  Long   3.48, 4.43 A
assign (resid   35 and name  HB1) (resid   19 and name  HB2) 3.15 1.35 1.35 ! 0.8662  994:1  Long   3.53, 3.75 A
assign (resid   29 and name  HB*) (resid   30 and name  HG2) 3.65 1.85 1.85 ! 0.0000  995:1  Seq    4.41, 5.10 A
assign (resid   29 and name  HB*) (resid   28 and name  HB2) 3.65 1.85 1.85 ! 0.7688  996:1  Ambig  3.88, 4.66 A
    or (resid   29 and name  HB*) (resid   30 and name  HG1)                ! 0.2165  996:1  -----  4.79, 5.34 A
assign (resid   13 and name  HB*) (resid    7 and name  HG2) 3.65 1.85 1.85 ! 0.6670  997:1  Ambig  3.07, 3.97 A
    or (resid   33 and name  HB2) (resid    7 and name  HG2)                ! 0.2620  997:1  -----  3.58, 3.97 A
assign (resid    4 and name  HB2) (resid   20 and name  HB*) 3.65 1.85 1.85 ! 0.9865  998:1  Long   3.02, 4.15 A
assign (resid    8 and name  HB1) (resid    2 and name  HG2) 3.65 1.85 1.85 ! 0.9394  999:1  Long   2.90, 3.33 A
assign (resid   32 and name  HB2) (resid   28 and name  HB2) 3.65 1.85 1.85 ! 0.5811 1000:1  Ambig  4.75, 5.05 A
    or (resid   33 and name  HB2) (resid   34 and name  HB1)                ! 0.1121 1000:1  -----  6.24, 6.36 A
    or (resid   33 and name  HB2) (resid   28 and name  HB2)                ! 0.1018 1000:1  -----  6.34, 6.69 A
    or (resid   33 and name  HB2) (resid   27 and name   HB)                ! 0.0989 1000:1  -----  6.37, 6.71 A
assign (resid   32 and name  HB1) (resid   28 and name  HB2) 3.65 1.85 1.85 ! 0.9871 1001:1  Mid    3.03, 3.35 A
assign (resid    2 and name  HG2) (resid    8 and name  HB1) 3.15 1.35 1.35 ! 0.9451 1002:1  Long   2.90, 3.33 A
assign (resid   19 and name  HB2) (resid   35 and name  HB1) 3.65 1.85 1.85 ! 0.8662 1003:1  Long   3.53, 3.75 A
assign (resid    2 and name  HG2) (resid   35 and name  HB2) 3.65 1.85 1.85 ! 0.6651 1004:1  Ambig  3.77, 4.34 A
    or (resid   19 and name  HB2) (resid   25 and name  HB1)                ! 0.1158 1004:1  -----  5.05, 5.48 A
    or (resid   19 and name  HB2) (resid   35 and name  HB2)                ! 0.1093 1004:1  -----  5.10, 5.27 A
assign (resid   19 and name  HB2) (resid   25 and name  HB2) 3.65 1.85 1.85 ! 0.8473 1005:1  Long   3.94, 4.26 A
assign (resid    2 and name  HB2) (resid    2 and name  HG2) 2.65 0.85 0.85 ! 0.9466 1006:1  Intra  2.40, 2.45 A
assign (resid   28 and name HD2*) (resid   26 and name  HB1) 2.65 0.85 0.85 ! 0.5876 1008:1  Ambig  2.70, 3.80 A
    or (resid   36 and name HD1*) (resid   26 and name  HB1)                ! 0.2085 1008:1  -----  3.21, 4.66 A
    or (resid   36 and name HD1*) (resid   34 and name  HG2)                ! 0.1641 1008:1  -----  3.34, 4.39 A
assign (resid   28 and name HD1*) (resid   34 and name  HB1) 2.65 0.85 0.85 ! 0.7226 1009:1  Ambig  2.08, 3.14 A
    or (resid   28 and name HD1*) (resid   28 and name  HB2)                ! 0.2680 1009:1  -----  2.45, 3.08 A
assign (resid   28 and name HD1*) (resid   34 and name  HB2) 3.15 1.35 1.35 ! 0.9182 1010:1  Long   2.68, 3.48 A
assign (resid   36 and name HD2*) (resid   36 and name  HB1) 2.30 0.50 0.50 ! 0.9081 1011:1  Intra  2.39, 3.06 A
assign (resid   36 and name HD1*) (resid   36 and name   HG) 2.30 0.50 0.50 ! 0.9031 1013:1  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 1014:1  Intra  2.44, 2.64 A
assign (resid   36 and name HD2*) (resid   36 and name   HG) 2.30 0.50 0.50 ! 0.0000 1015:1  Intra  2.41, 2.64 A
assign (resid   28 and name HD1*) (resid   28 and name   HG) 3.15 1.35 1.35 ! 0.5082 1016:1  Ambig  2.39, 2.62 A
    or (resid   28 and name HD1*) (resid   28 and name  HB1)                ! 0.4909 1016:1  -----  2.41, 3.05 A
assign (resid   28 and name HD2*) (resid   28 and name   HG) 2.65 0.85 0.85 ! 0.5321 1017:1  Ambig  2.40, 2.62 A
    or (resid   28 and name HD2*) (resid   28 and name  HB1)                ! 0.4380 1017:1  -----  2.48, 3.14 A
assign (resid   11 and name HG2*) (resid   11 and name HD1*) 2.65 0.85 0.85 ! 0.0000 1018:1  Intra  2.01, 3.65 A
assign (resid   11 and name HG12) (resid   11 and name HD1*) 2.65 0.85 0.85 ! 0.0000 1019:1  Intra  2.41, 2.62 A
assign (resid    1 and name HG2*) (resid   18 and name HG1*) 2.30 0.50 0.50 ! 0.3502 1020:1  Ambig  2.33, 3.91 A
    or (resid   36 and name   HG) (resid   36 and name HD2*)                ! 0.2908 1020:1  -----  2.41, 2.64 A
    or (resid   36 and name   HG) (resid   36 and name HD1*)                ! 0.2887 1020:1  -----  2.41, 2.63 A
assign (resid   23 and name HG2*) (resid   20 and name  HB*) 3.15 1.35 1.35 ! 0.9973 1021:1  Mid    2.40, 4.51 A
assign (resid   28 and name  HB2) (resid   28 and name HD1*) 2.65 0.85 0.85 ! 0.9636 1022:1  Intra  2.45, 3.08 A
assign (resid   11 and name HD1*) (resid   11 and name HG12) 2.65 0.85 0.85 ! 0.0000 1023:1  Intra  2.41, 2.62 A
assign (resid   11 and name   HA) (resid   11 and name HD1*) 3.65 1.85 1.85 ! 0.0000 1024:1  Intra  4.39, 4.65 A
assign (resid   36 and name   HN) (resid   35 and name   HN) 3.65 1.85 1.85 ! 0.5042 1025:1  Ambig  4.26, 4.33 A
    or (resid   34 and name   HN) (resid   35 and name   HN)                ! 0.4714 1025:1  -----  4.31, 4.36 A
assign (resid   33 and name   HN) (resid    7 and name HE21) 3.15 1.35 1.35 ! 0.9154 1026:1  Long   2.37, 3.09 A
assign (resid   34 and name  HG1) (resid   36 and name   HG) 3.65 1.85 1.85 ! 0.0000 1027:1  Mid    2.49, 4.05 A
assign (resid    4 and name  HB1) (resid   23 and name HG2*) 3.65 1.85 1.85 ! 0.0000 1028:1  Long   3.82, 4.80 A
assign (resid   29 and name  HB*) (resid   28 and name  HB1) 3.65 1.85 1.85 ! 0.8411 1029:1  Seq    4.53, 5.50 A
assign (resid   25 and name   HN) (resid   24 and name   HN) 3.65 1.85 1.85 ! 0.5314 1030:1  Ambig  4.41, 4.46 A
    or (resid    4 and name   HN) (resid    5 and name   HN)                ! 0.4686 1030:1  -----  4.51, 4.56 A
assign (resid   13 and name  HE*) (resid   16 and name  HG2) 3.65 1.85 1.85 ! 0.6928 1031:1  Ambig  3.11, 4.90 A
    or (resid    5 and name  HE*) (resid   34 and name  HG2)                ! 0.1361 1031:1  -----  4.08, 6.33 A
assign (resid   26 and name HE22) (resid   26 and name  HG2) 3.65 1.85 1.85 ! 0.6704 1032:1  Ambig  3.74, 3.80 A
    or (resid   31 and name  HE*) (resid   30 and name  HB1)                ! 0.3296 1032:1  -----  4.21, 5.53 A
assign (resid   33 and name   HA) (resid   34 and name   HN) 3.15 1.35 1.35 ! 0.9967 1033:1  Seq    2.19, 2.28 A
assign (resid   35 and name   HA) (resid   36 and name   HN) 3.65 1.85 1.85 ! 0.9940 1034:1  Seq    2.04, 2.08 A
assign (resid   33 and name   HA) (resid   28 and name   HN) 3.15 1.35 1.35 ! 0.9367 1035:1  Long   2.00, 2.19 A
assign (resid   15 and name   HN) (resid   14 and name   HN) 3.65 1.85 1.85 ! 0.9992 1036:1  Seq    2.02, 2.31 A
assign (resid   15 and name   HN) (resid   13 and name  HE*) 3.65 1.85 1.85 ! 0.9158 1037:1  Mid    2.53, 4.05 A
assign (resid   33 and name   HA) (resid   27 and name   HA) 3.65 1.85 1.85 ! 0.8981 1038:1  Long   1.98, 2.28 A
assign (resid    8 and name   HA) (resid    8 and name  HB2) 3.15 1.35 1.35 ! 0.4883 1039:1  Ambig  2.43, 2.54 A
    or (resid   33 and name   HA) (resid   33 and name  HB1)                ! 0.4638 1039:1  -----  2.45, 2.48 A
assign (resid    8 and name   HA) (resid    8 and name  HB1) 3.15 1.35 1.35 ! 0.7989 1040:1  Ambig  2.31, 2.34 A
    or (resid   33 and name   HA) (resid   33 and name  HB2)                ! 0.1571 1040:1  -----  3.03, 3.03 A
assign (resid   30 and name  HD2) (resid   31 and name   HN) 3.15 1.35 1.35 ! 0.9819 1042:1  Seq    2.47, 2.70 A
assign (resid   28 and name  HB2) (resid   32 and name  HB1) 3.65 1.85 1.85 ! 0.0000 1043:1  Mid    3.03, 3.35 A
assign (resid   36 and name  HB2) (resid   36 and name   HG) 2.30 0.50 0.50 ! 0.9621 1044:1  Intra  2.45, 2.49 A
assign (resid   11 and name HG11) (resid   11 and name   HB) 2.65 0.85 0.85 ! 0.0000 1045:1  Intra  2.47, 2.48 A
assign (resid   11 and name   HB) (resid   11 and name HD1*) 2.65 0.85 0.85 ! 0.0000 1047:1  Intra  2.55, 3.16 A
assign (resid   36 and name   HG) (resid   36 and name  HB2) 2.30 0.50 0.50 ! 0.7542 1049:1  Ambig  2.45, 2.49 A
    or (resid   36 and name   HG) (resid   36 and name  HB1)                ! 0.2161 1049:1  -----  3.02, 3.02 A
assign (resid   11 and name   HB) (resid   11 and name HG2*) 2.30 0.50 0.50 ! 0.0000 1051:1  Intra  2.44, 2.64 A
assign (resid   24 and name   HN) (resid   36 and name   HN) 2.65 0.85 0.85 ! 0.0000    0:2  Long   2.72, 2.90 A
assign (resid   36 and name   HN) (resid   24 and name   HN) 3.15 1.35 1.35 ! 0.9646    1:2  Long   2.72, 2.90 A
assign (resid   32 and name   HN) (resid   31 and name   HN) 2.65 0.85 0.85 ! 0.8820    2:2  Seq    2.07, 2.19 A
assign (resid   31 and name  HD*) (resid   31 and name   HN) 3.65 1.85 1.85 ! 0.9855    3:2  Intra  2.21, 3.67 A
assign (resid   31 and name  HD*) (resid   31 and name   HN) 3.15 1.35 1.35 ! 0.9775    4:2  Intra  2.21, 3.67 A
assign (resid   32 and name  HD*) (resid   29 and name   HN) 3.65 1.85 1.85 ! 0.5445    5:2  Ambig  3.66, 5.36 A
    or (resid   32 and name  HD*) (resid   28 and name   HN)                ! 0.4100    5:2  -----  3.84, 5.67 A
assign (resid    5 and name  HD*) (resid   35 and name   HN) 4.15 2.35 2.35 ! 0.0000    6:2  Long   5.94, 7.03 A
assign (resid   31 and name   HN) (resid   32 and name   HN) 2.65 0.85 0.85 ! 0.0000    7:2  Seq    2.07, 2.19 A
assign (resid   29 and name   HN) (resid   32 and name   HN) 3.15 1.35 1.35 ! 0.6392    8:2  Ambig  3.15, 3.48 A
    or (resid   10 and name   HN) (resid   13 and name   HN)                ! 0.3473    8:2  -----  3.48, 3.85 A
assign (resid    9 and name   HN) (resid    8 and name   HN) 2.65 0.85 0.85 ! 0.9161    9:2  Seq    2.62, 2.76 A
assign (resid   31 and name   HN) (resid   31 and name  HD*) 3.65 1.85 1.85 ! 0.9855   10:2  Intra  2.21, 3.67 A
assign (resid   13 and name  HE*) (resid   13 and name  HD*) 2.30 0.50 0.50 ! 0.5189   13:2  Ambig  2.41, 3.68 A
    or (resid   32 and name  HE*) (resid   32 and name  HD*)                ! 0.4811   13:2  -----  2.44, 3.69 A
assign (resid    4 and name  HE1) (resid    5 and name  HD*) 3.65 1.85 1.85 ! 0.7942   14:2  Ambig  3.36, 5.45 A
    or (resid    4 and name  HE1) (resid    4 and name  HD2)                ! 0.2058   14:2  -----  4.21, 4.23 A
assign (resid    4 and name  HE1) (resid    5 and name  HE*) 3.65 1.85 1.85 ! 0.0000   15:2  Seq    2.22, 4.42 A
assign (resid    8 and name   HN) (resid    9 and name   HN) 3.15 1.35 1.35 ! 0.9161   16:2  Seq    2.62, 2.76 A
assign (resid   31 and name  HD*) (resid   31 and name  HE*) 2.30 0.50 0.50 ! 0.0000   18:2  Intra  2.43, 3.68 A
assign (resid   32 and name  HD*) (resid   32 and name  HE*) 2.30 0.50 0.50 ! 0.0000   19:2  Intra  2.44, 3.69 A
assign (resid   13 and name  HD*) (resid   13 and name  HE*) 2.65 0.85 0.85 ! 0.0000   20:2  Intra  2.41, 3.68 A
assign (resid    5 and name  HD*) (resid    5 and name  HE*) 2.30 0.50 0.50 ! 0.9678   21:2  Intra  2.44, 3.68 A
assign (resid    5 and name  HE*) (resid    5 and name  HD*) 2.30 0.50 0.50 ! 0.9678   22:2  Intra  2.44, 3.68 A
assign (resid   24 and name   HN) (resid   35 and name   HA) 3.65 1.85 1.85 ! 0.0000   23:2  Long   3.91, 4.17 A
assign (resid   34 and name   HN) (resid   33 and name   HA) 2.30 0.50 0.50 ! 0.9967   24:2  Seq    2.19, 2.28 A
assign (resid   36 and name   HN) (resid   35 and name   HA) 2.30 0.50 0.50 ! 0.9940   25:2  Seq    2.04, 2.08 A
assign (resid   26 and name   HN) (resid   35 and name   HA) 3.15 1.35 1.35 ! 0.0000   26:2  Long   3.08, 3.19 A
assign (resid   34 and name   HN) (resid   34 and name   HA) 2.65 0.85 0.85 ! 0.9783   27:2  Intra  2.91, 2.93 A
assign (resid   29 and name   HN) (resid   33 and name   HA) 3.15 1.35 1.35 ! 0.8800   28:2  Mid    3.27, 3.58 A
assign (resid   28 and name   HN) (resid   33 and name   HA) 2.65 0.85 0.85 ! 0.9925   29:2  Long   2.00, 2.19 A
assign (resid   35 and name   HN) (resid   35 and name   HA) 3.15 1.35 1.35 ! 0.0000   30:2  Intra  2.84, 2.85 A
assign (resid   29 and name   HN) (resid   29 and name   HA) 3.15 1.35 1.35 ! 0.0000   31:2  Intra  2.81, 2.93 A
assign (resid   35 and name   HN) (resid   34 and name   HA) 2.30 0.50 0.50 ! 0.9992   32:2  Seq    2.14, 2.17 A
assign (resid    8 and name   HN) (resid    8 and name   HA) 3.65 1.85 1.85 ! 0.9634   33:2  Intra  2.81, 2.86 A
assign (resid    8 and name   HN) (resid   34 and name   HA) 3.65 1.85 1.85 ! 0.9986   34:2  Long   2.37, 2.66 A
assign (resid   33 and name   HN) (resid   33 and name   HA) 3.15 1.35 1.35 ! 0.5633   35:2  Ambig  2.92, 2.93 A
    or (resid    9 and name   HN) (resid    8 and name   HA)                ! 0.3973   35:2  -----  3.09, 3.54 A
assign (resid   13 and name  HE*) (resid   15 and name   HN) 3.15 1.35 1.35 ! 0.9038   37:2  Mid    2.53, 4.05 A
assign (resid   32 and name  HE*) (resid   34 and name   HA) 3.65 1.85 1.85 ! 0.9026   38:2  Mid    4.10, 5.12 A
assign (resid   24 and name   HN) (resid   23 and name   HA) 2.65 0.85 0.85 ! 0.0000   39:2  Seq    2.18, 2.25 A
assign (resid   24 and name   HN) (resid   25 and name   HA) 3.65 1.85 1.85 ! 0.8761   40:2  Seq    4.69, 4.96 A
assign (resid   24 and name   HN) (resid   24 and name   HA) 3.15 1.35 1.35 ! 0.8605   41:2  Intra  2.92, 2.93 A
assign (resid   36 and name   HN) (resid   23 and name   HA) 3.65 1.85 1.85 ! 0.7593   42:2  Ambig  4.44, 4.52 A
    or (resid   34 and name   HN) (resid   28 and name   HA)                ! 0.2407   42:2  -----  5.38, 5.56 A
assign (resid   36 and name   HN) (resid   25 and name   HA) 2.65 0.85 0.85 ! 0.8033   43:2  Long   2.88, 3.53 A
assign (resid   26 and name   HN) (resid   24 and name   HA) 3.65 1.85 1.85 ! 0.5533   44:2  Ambig  5.31, 5.45 A
    or (resid   26 and name   HN) (resid   36 and name   HA)                ! 0.4467   44:2  -----  5.50, 5.83 A
assign (resid   26 and name   HN) (resid   25 and name   HA) 2.30 0.50 0.50 ! 0.8976   45:2  Seq    2.01, 2.15 A
assign (resid   36 and name   HN) (resid   36 and name   HA) 2.65 0.85 0.85 ! 0.9152   46:2  Intra  2.87, 2.90 A
assign (resid   28 and name   HN) (resid   28 and name   HA) 3.15 1.35 1.35 ! 0.9590   47:2  Intra  2.85, 2.90 A
assign (resid   31 and name   HN) (resid   31 and name   HA) 3.65 1.85 1.85 ! 0.9578   48:2  Intra  2.91, 2.92 A
assign (resid   29 and name   HN) (resid   28 and name   HA) 3.15 1.35 1.35 ! 0.9478   49:2  Seq    3.44, 3.47 A
assign (resid   11 and name   HN) (resid   31 and name   HA) 3.65 1.85 1.85 ! 0.0000   50:2  Long   1.92, 2.11 A
assign (resid   35 and name   HN) (resid    7 and name   HA) 3.65 1.85 1.85 ! 0.8548   51:2  Long   3.50, 3.69 A
assign (resid   23 and name   HN) (resid   23 and name   HA) 3.15 1.35 1.35 ! 0.0000   52:2  Intra  2.93, 2.95 A
assign (resid   23 and name   HN) (resid   22 and name  HA1) 3.65 1.85 1.85 ! 0.0000   53:2  Seq    3.25, 3.37 A
assign (resid   13 and name   HN) (resid   12 and name  HA1) 3.65 1.85 1.85 ! 0.9117   54:2  Seq    2.98, 3.17 A
assign (resid    8 and name   HN) (resid    7 and name   HA) 2.65 0.85 0.85 ! 0.9958   55:2  Seq    2.03, 2.09 A
assign (resid   23 and name   HN) (resid   21 and name   HA) 3.65 1.85 1.85 ! 0.0000   56:2  Mid    3.34, 3.67 A
assign (resid   13 and name   HN) (resid   13 and name   HA) 3.15 1.35 1.35 ! 0.4997   57:2  Ambig  2.90, 2.93 A
    or (resid   32 and name   HN) (resid   32 and name   HA)                ! 0.4969   57:2  -----  2.90, 2.91 A
assign (resid   32 and name   HN) (resid   31 and name   HA) 3.15 1.35 1.35 ! 0.9081   58:2  Seq    3.44, 3.48 A
assign (resid   31 and name  HD*) (resid   31 and name   HA) 2.65 0.85 0.85 ! 0.0000   61:2  Intra  2.65, 3.56 A
assign (resid   13 and name  HD*) (resid   13 and name   HA) 3.15 1.35 1.35 ! 0.9607   62:2  Intra  2.77, 3.54 A
assign (resid   32 and name  HD*) (resid   32 and name   HA) 2.65 0.85 0.85 ! 0.0000   63:2  Intra  2.31, 3.44 A
assign (resid   33 and name   HN) (resid   32 and name   HA) 2.30 0.50 0.50 ! 0.9863   64:2  Seq    1.99, 2.06 A
assign (resid    4 and name  HD2) (resid   36 and name   HA) 2.65 0.85 0.85 ! 0.9951   65:2  Long   1.92, 2.10 A
assign (resid   31 and name  HE*) (resid   31 and name   HA) 3.65 1.85 1.85 ! 0.0000   66:2  Intra  4.76, 5.35 A
assign (resid   32 and name  HD*) (resid    7 and name   HA) 3.65 1.85 1.85 ! 0.8856   67:2  Long   4.91, 5.68 A
assign (resid    9 and name   HN) (resid    9 and name  HA1) 2.65 0.85 0.85 ! 0.7257   68:2  Ambig  2.71, 2.77 A
    or (resid    9 and name   HN) (resid    7 and name   HA)                ! 0.1469   68:2  -----  3.54, 4.29 A
assign (resid   13 and name  HD*) (resid    9 and name  HA1) 2.65 0.85 0.85 ! 0.0000   69:2  Mid    2.55, 5.07 A
assign (resid   32 and name  HE*) (resid   32 and name   HA) 3.65 1.85 1.85 ! 0.5205   71:2  Ambig  4.50, 5.21 A
    or (resid   13 and name  HE*) (resid   13 and name   HA)                ! 0.3502   71:2  -----  4.80, 5.29 A
assign (resid   32 and name  HE*) (resid    7 and name   HA) 3.15 1.35 1.35 ! 0.7577   72:2  Ambig  3.84, 4.87 A
    or (resid   32 and name  HE*) (resid    6 and name  HA2)                ! 0.1495   72:2  -----  5.04, 6.16 A
assign (resid   24 and name   HN) (resid   24 and name   HB) 3.15 1.35 1.35 ! 0.9529   73:2  Intra  3.64, 3.69 A
assign (resid   24 and name   HN) (resid   23 and name   HB) 2.65 0.85 0.85 ! 0.0000   74:2  Seq    2.52, 2.76 A
assign (resid   34 and name   HN) (resid   27 and name   HA) 3.15 1.35 1.35 ! 0.9426   75:2  Long   3.36, 3.64 A
assign (resid   12 and name   HN) (resid   12 and name  HA2) 2.65 0.85 0.85 ! 0.8039   76:2  Intra  2.35, 2.42 A
assign (resid   34 and name   HN) (resid   33 and name  HB1) 2.65 0.85 0.85 ! 0.9951   77:2  Seq    2.95, 3.20 A
assign (resid   28 and name   HN) (resid   27 and name   HA) 2.30 0.50 0.50 ! 0.8488   78:2  Seq    2.13, 2.16 A
assign (resid   28 and name   HN) (resid   33 and name  HB1) 3.65 1.85 1.85 ! 0.5982   79:2  Ambig  3.91, 4.22 A
    or (resid   27 and name   HN) (resid   33 and name  HB1)                ! 0.4018   79:2  -----  4.18, 4.45 A
assign (resid   11 and name   HN) (resid   10 and name  HA1) 3.65 1.85 1.85 ! 0.6334   80:2  Ambig  2.52, 2.67 A
    or (resid   11 and name   HN) (resid   11 and name   HA)                ! 0.3635   80:2  -----  2.76, 2.80 A
assign (resid   23 and name   HN) (resid   23 and name   HB) 3.65 1.85 1.85 ! 0.0000   81:2  Intra  3.77, 3.82 A
assign (resid   23 and name   HN) (resid   22 and name  HA2) 3.65 1.85 1.85 ! 0.8375   82:2  Seq    3.04, 3.20 A
assign (resid   32 and name   HN) (resid   10 and name  HA1) 3.65 1.85 1.85 ! 0.3516   83:2  Ambig  4.15, 4.43 A
    or (resid   13 and name   HN) (resid    9 and name  HA2)                ! 0.3425   83:2  -----  4.17, 4.48 A
    or (resid   13 and name   HN) (resid   10 and name  HA1)                ! 0.3058   83:2  -----  4.25, 4.48 A
assign (resid   31 and name  HD*) (resid   30 and name  HD2) 3.15 1.35 1.35 ! 0.9252   84:2  Seq    2.83, 5.17 A
assign (resid    5 and name  HD*) (resid    5 and name   HA) 2.65 0.85 0.85 ! 0.9659   85:2  Intra  2.28, 3.45 A
assign (resid   13 and name  HD*) (resid    9 and name  HA2) 3.15 1.35 1.35 ! 0.9948   86:2  Mid    2.02, 3.64 A
assign (resid    9 and name   HN) (resid    9 and name  HA2) 3.15 1.35 1.35 ! 0.7412   87:2  Ambig  2.32, 2.79 A
    or (resid   33 and name   HN) (resid   10 and name  HA1)                ! 0.2296   87:2  -----  2.82, 3.11 A
assign (resid    4 and name  HD2) (resid   23 and name   HB) 3.65 1.85 1.85 ! 0.0000   88:2  Long   2.59, 3.08 A
assign (resid    9 and name   HN) (resid   33 and name  HB1) 3.15 1.35 1.35 ! 0.7806   89:2  Ambig  2.96, 3.30 A
    or (resid   33 and name   HN) (resid   33 and name  HB1)                ! 0.2194   89:2  -----  3.66, 3.72 A
assign (resid    5 and name  HE*) (resid    5 and name   HA) 3.65 1.85 1.85 ! 0.0000   90:2  Intra  4.56, 5.20 A
assign (resid   13 and name  HE*) (resid   15 and name  HA1) 3.65 1.85 1.85 ! 0.9115   91:2  Mid    2.56, 3.91 A
assign (resid   26 and name   HN) (resid   25 and name  HB2) 3.65 1.85 1.85 ! 0.0000   92:2  Seq    4.34, 4.45 A
assign (resid   26 and name   HN) (resid   25 and name  HB1) 3.65 1.85 1.85 ! 0.8762   93:2  Seq    4.24, 4.42 A
assign (resid   36 and name   HN) (resid   35 and name  HB1) 3.15 1.35 1.35 ! 0.9857   94:2  Seq    3.47, 3.60 A
assign (resid   36 and name   HN) (resid   35 and name  HB2) 3.15 1.35 1.35 ! 0.6464   95:2  Ambig  4.29, 4.35 A
    or (resid   34 and name   HN) (resid   25 and name  HB1)                ! 0.1218   95:2  -----  5.66, 6.40 A
    or (resid   36 and name   HN) (resid   25 and name  HB1)                ! 0.1066   95:2  -----  5.79, 6.26 A
assign (resid   34 and name   HN) (resid   33 and name  HB2) 3.15 1.35 1.35 ! 0.5779   96:2  Ambig  3.90, 4.05 A
    or (resid   12 and name   HN) (resid   13 and name  HB*)                ! 0.2257   96:2  -----  4.56, 4.87 A
assign (resid   31 and name   HN) (resid   31 and name  HB2) 3.15 1.35 1.35 ! 0.9985   97:2  Intra  2.45, 2.56 A
assign (resid   29 and name   HN) (resid   29 and name  HB*) 3.15 1.35 1.35 ! 0.0000   98:2  Intra  2.69, 3.31 A
assign (resid   35 and name   HN) (resid   35 and name  HB1) 3.15 1.35 1.35 ! 0.9610   99:2  Intra  3.57, 3.60 A
assign (resid   35 and name   HN) (resid   35 and name  HB2) 2.65 0.85 0.85 ! 0.9950  100:2  Intra  2.37, 2.42 A
assign (resid   10 and name   HN) (resid   13 and name  HB*) 3.65 1.85 1.85 ! 0.9318  101:2  Mid    1.82, 2.54 A
assign (resid    8 and name   HN) (resid    8 and name  HB1) 3.15 1.35 1.35 ! 0.8449  102:2  Intra  2.55, 2.82 A
assign (resid   13 and name   HN) (resid   13 and name  HB*) 2.65 0.85 0.85 ! 0.6620  103:2  Ambig  2.48, 2.67 A
    or (resid   32 and name   HN) (resid   32 and name  HB2)                ! 0.3321  103:2  -----  2.78, 2.89 A
assign (resid   31 and name  HD*) (resid   31 and name  HB1) 2.65 0.85 0.85 ! 0.9972  104:2  Intra  2.28, 3.05 A
assign (resid   29 and name HD22) (resid   29 and name  HB*) 3.65 1.85 1.85 ! 0.6801  105:2  Ambig  3.39, 3.65 A
    or (resid   31 and name  HD*) (resid   29 and name  HB*)                ! 0.3199  105:2  -----  3.84, 6.09 A
assign (resid   31 and name  HD*) (resid   31 and name  HB2) 2.30 0.50 0.50 ! 0.9845  107:2  Intra  2.30, 3.05 A
assign (resid    7 and name HE22) (resid   13 and name  HB*) 3.15 1.35 1.35 ! 0.9702  108:2  Long   2.08, 3.52 A
assign (resid   31 and name  HE*) (resid   31 and name  HB1) 3.65 1.85 1.85 ! 0.0000  109:2  Intra  4.60, 5.05 A
assign (resid    5 and name  HD*) (resid    5 and name  HB2) 2.30 0.50 0.50 ! 0.9906  110:2  Intra  2.27, 3.03 A
assign (resid    5 and name  HD*) (resid    5 and name  HB1) 2.30 0.50 0.50 ! 0.6950  111:2  Ambig  2.32, 3.05 A
    or (resid    5 and name  HD*) (resid    4 and name  HB1)                ! 0.1917  111:2  -----  2.87, 5.32 A
assign (resid    4 and name  HD2) (resid    4 and name  HB2) 2.65 0.85 0.85 ! 0.6580  112:2  Ambig  3.05, 3.25 A
    or (resid    4 and name  HD2) (resid   35 and name  HB2)                ! 0.2406  112:2  -----  3.60, 4.23 A
assign (resid   31 and name  HE*) (resid   31 and name  HB2) 3.65 1.85 1.85 ! 0.0000  113:2  Intra  4.60, 5.05 A
assign (resid   13 and name  HD*) (resid   13 and name  HB*) 2.65 0.85 0.85 ! 0.9959  114:2  Intra  2.29, 3.04 A
assign (resid   32 and name  HD*) (resid   32 and name  HB2) 2.30 0.50 0.50 ! 0.9967  115:2  Intra  2.35, 3.07 A
assign (resid    9 and name   HN) (resid   33 and name  HB2) 2.65 0.85 0.85 ! 0.7520  116:2  Ambig  2.00, 2.24 A
    or (resid   33 and name   HN) (resid   33 and name  HB2)                ! 0.2071  116:2  -----  2.48, 2.57 A
assign (resid    5 and name  HE*) (resid    5 and name  HB2) 3.65 1.85 1.85 ! 0.0000  117:2  Intra  4.58, 5.04 A
assign (resid    5 and name  HE*) (resid    4 and name  HB1) 3.15 1.35 1.35 ! 0.6188  118:2  Ambig  4.24, 6.51 A
    or (resid    5 and name  HE*) (resid    5 and name  HB1)                ! 0.3812  118:2  -----  4.60, 5.04 A
assign (resid   13 and name  HE*) (resid   13 and name  HB*) 3.15 1.35 1.35 ! 0.4291  119:2  Ambig  4.58, 5.04 A
    or (resid   32 and name  HE*) (resid   32 and name  HB2)                ! 0.4134  119:2  -----  4.60, 5.05 A
assign (resid   36 and name   HN) (resid   26 and name  HG1) 3.15 1.35 1.35 ! 0.9681  120:2  Long   2.93, 3.28 A
assign (resid   26 and name   HN) (resid   26 and name  HG1) 3.15 1.35 1.35 ! 0.0000  121:2  Intra  2.51, 2.83 A
assign (resid   36 and name   HN) (resid   26 and name  HG2) 3.65 1.85 1.85 ! 0.9256  122:2  Long   2.92, 4.87 A
assign (resid   26 and name   HN) (resid   26 and name  HG2) 3.15 1.35 1.35 ! 0.9936  123:2  Intra  2.58, 3.71 A
assign (resid   26 and name   HN) (resid   26 and name  HB1) 3.15 1.35 1.35 ! 0.8775  124:2  Intra  3.57, 3.66 A
assign (resid   36 and name   HN) (resid   34 and name  HG2) 3.15 1.35 1.35 ! 0.3465  125:2  Ambig  4.18, 4.59 A
    or (resid   34 and name   HN) (resid   34 and name  HG2)                ! 0.2995  125:2  -----  4.28, 4.45 A
    or (resid   34 and name   HN) (resid   26 and name  HB1)                ! 0.2468  125:2  -----  4.42, 4.68 A
assign (resid   29 and name   HN) (resid   32 and name  HB1) 3.65 1.85 1.85 ! 0.9950  126:2  Mid    2.96, 3.43 A
assign (resid   35 and name   HN) (resid   34 and name  HG1) 3.15 1.35 1.35 ! 0.0000  127:2  Seq    2.57, 2.77 A
assign (resid    8 and name   HN) (resid    7 and name  HG1) 3.15 1.35 1.35 ! 0.5064  128:2  Ambig  3.39, 3.66 A
    or (resid    8 and name   HN) (resid    2 and name  HG2)                ! 0.4888  128:2  -----  3.41, 3.68 A
assign (resid   32 and name   HN) (resid   32 and name  HB1) 3.15 1.35 1.35 ! 0.0000  129:2  Intra  2.63, 2.73 A
assign (resid   32 and name  HD*) (resid   32 and name  HB1) 2.65 0.85 0.85 ! 0.0000  130:2  Intra  2.33, 3.06 A
assign (resid   32 and name  HD*) (resid    7 and name  HG1) 3.15 1.35 1.35 ! 0.0000  131:2  Long   2.70, 4.51 A
assign (resid   33 and name   HN) (resid    7 and name  HG1) 2.65 0.85 0.85 ! 0.9501  132:2  Long   2.08, 2.41 A
assign (resid   32 and name  HD*) (resid    7 and name  HB2) 3.65 1.85 1.85 ! 0.9601  133:2  Long   3.41, 5.06 A
assign (resid   32 and name  HE*) (resid   32 and name  HB1) 3.65 1.85 1.85 ! 0.8332  134:2  Intra  4.62, 5.07 A
assign (resid   32 and name  HE*) (resid    7 and name  HG1) 3.15 1.35 1.35 ! 0.8832  135:2  Long   3.01, 4.79 A
assign (resid   32 and name  HE*) (resid    7 and name  HB2) 2.65 0.85 0.85 ! 0.9669  136:2  Long   2.21, 4.16 A
assign (resid   26 and name   HN) (resid   26 and name  HB2) 2.65 0.85 0.85 ! 0.9700  137:2  Intra  2.34, 2.48 A
assign (resid   34 and name   HN) (resid   34 and name  HB1) 2.65 0.85 0.85 ! 0.7267  138:2  Ambig  2.56, 2.67 A
    or (resid   34 and name   HN) (resid   26 and name  HB2)                ! 0.1380  138:2  -----  3.38, 3.66 A
assign (resid   34 and name   HN) (resid   28 and name   HG) 3.65 1.85 1.85 ! 0.9858  139:2  Long   2.56, 2.80 A
assign (resid   36 and name   HN) (resid   36 and name  HB*) 2.30 0.50 0.50 ! 0.7389  140:2  Ambig  2.52, 3.19 A
    or (resid   34 and name   HN) (resid   34 and name  HB2)                ! 0.2512  140:2  -----  3.02, 3.15 A
assign (resid   27 and name   HN) (resid   27 and name   HB) 2.65 0.85 0.85 ! 0.4950  141:2  Ambig  2.43, 2.50 A
    or (resid   28 and name   HN) (resid   28 and name  HB2)                ! 0.4419  141:2  -----  2.48, 2.53 A
assign (resid   28 and name   HN) (resid   28 and name   HG) 2.65 0.85 0.85 ! 0.9393  142:2  Intra  2.22, 2.45 A
assign (resid   35 and name   HN) (resid   34 and name  HG2) 3.15 1.35 1.35 ! 0.9977  143:2  Seq    2.70, 2.95 A
assign (resid   29 and name   HN) (resid   28 and name  HB2) 2.65 0.85 0.85 ! 0.9852  144:2  Seq    2.26, 2.54 A
assign (resid   35 and name   HN) (resid   34 and name  HB1) 3.65 1.85 1.85 ! 0.9105  145:2  Seq    3.91, 4.03 A
assign (resid   29 and name   HN) (resid   28 and name  HB1) 3.15 1.35 1.35 ! 0.7105  146:2  Ambig  3.42, 3.68 A
    or (resid   29 and name   HN) (resid   28 and name   HG)                ! 0.2895  146:2  -----  3.97, 4.10 A
assign (resid   35 and name   HN) (resid   34 and name  HB2) 3.15 1.35 1.35 ! 0.9129  147:2  Seq    3.90, 4.05 A
assign (resid    5 and name  HD*) (resid   34 and name  HG2) 3.15 1.35 1.35 ! 0.8726  148:2  Long   3.45, 5.14 A
assign (resid   32 and name  HD*) (resid   28 and name  HB2) 2.65 0.85 0.85 ! 0.9824  149:2  Mid    2.18, 4.35 A
assign (resid   32 and name  HD*) (resid   28 and name   HG) 2.65 0.85 0.85 ! 0.5031  150:2  Ambig  3.30, 5.43 A
    or (resid   32 and name  HD*) (resid   28 and name  HB1)                ! 0.4969  150:2  -----  3.30, 5.73 A
assign (resid   32 and name  HD*) (resid   34 and name  HB2) 3.15 1.35 1.35 ! 0.0000  151:2  Mid    3.31, 4.64 A
assign (resid    4 and name  HD2) (resid   36 and name  HB*) 3.15 1.35 1.35 ! 0.6848  152:2  Ambig  4.20, 4.78 A
    or (resid    5 and name  HD*) (resid   34 and name  HB2)                ! 0.2084  152:2  -----  5.12, 7.13 A
assign (resid   32 and name  HE*) (resid   34 and name  HB1) 2.65 0.85 0.85 ! 0.7590  153:2  Ambig  3.31, 5.07 A
    or (resid   32 and name  HE*) (resid   28 and name  HB2)                ! 0.2410  153:2  -----  4.01, 5.74 A
assign (resid   32 and name  HE*) (resid   28 and name   HG) 3.15 1.35 1.35 ! 0.6797  154:2  Ambig  3.95, 5.93 A
    or (resid   32 and name  HE*) (resid   28 and name  HB1)                ! 0.2505  154:2  -----  4.67, 6.79 A
assign (resid   13 and name  HE*) (resid    7 and name  HB1) 2.65 0.85 0.85 ! 0.8501  155:2  Long   2.95, 4.27 A
assign (resid   32 and name  HE*) (resid   34 and name  HB2) 2.65 0.85 0.85 ! 0.0000  156:2  Mid    1.91, 3.64 A
assign (resid   24 and name   HN) (resid   24 and name HG2*) 3.15 1.35 1.35 ! 0.0000  157:2  Intra  2.83, 3.83 A
assign (resid   36 and name   HN) (resid   36 and name   HG) 3.15 1.35 1.35 ! 0.8897  158:2  Intra  3.09, 3.23 A
assign (resid   34 and name   HN) (resid   28 and name HD1*) 3.15 1.35 1.35 ! 0.4647  159:2  Ambig  3.95, 4.64 A
    or (resid   36 and name   HN) (resid   36 and name HD2*)                ! 0.3754  159:2  -----  4.10, 4.91 A
assign (resid   12 and name   HN) (resid   11 and name HG2*) 2.65 0.85 0.85 ! 0.6262  160:2  Ambig  3.04, 3.81 A
    or (resid   34 and name   HN) (resid   28 and name HD2*)                ! 0.1366  160:2  -----  3.91, 4.88 A
    or (resid   36 and name   HN) (resid   36 and name HD1*)                ! 0.0722  160:2  -----  4.35, 5.10 A
assign (resid   26 and name   HN) (resid   36 and name HD1*) 3.15 1.35 1.35 ! 0.5980  161:2  Ambig  4.18, 5.53 A
    or (resid   26 and name   HN) (resid   28 and name HD2*)                ! 0.2587  161:2  -----  4.81, 5.95 A
assign (resid   10 and name   HN) (resid    7 and name  HG2) 3.65 1.85 1.85 ! 0.9550  162:2  Mid    2.37, 3.08 A
assign (resid   27 and name   HN) (resid   27 and name HG2*) 2.65 0.85 0.85 ! 0.9062  163:2  Intra  2.11, 3.07 A
assign (resid   29 and name   HN) (resid   27 and name HG1*) 2.65 0.85 0.85 ! 0.9894  164:2  Mid    2.89, 4.03 A
assign (resid   31 and name  HD*) (resid   11 and name   HB) 2.65 0.85 0.85 ! 0.5595  165:2  Ambig  2.06, 3.73 A
    or (resid   31 and name  HD*) (resid   30 and name  HB2)                ! 0.4405  165:2  -----  2.15, 3.98 A
assign (resid   31 and name  HD*) (resid   11 and name HG2*) 3.15 1.35 1.35 ! 0.9664  166:2  Long   2.64, 5.42 A
assign (resid    4 and name  HD2) (resid   36 and name   HG) 3.65 1.85 1.85 ! 0.4138  167:2  Ambig  4.36, 4.64 A
    or (resid    4 and name  HD2) (resid   20 and name  HB*)                ! 0.2951  167:2  -----  4.62, 6.30 A
    or (resid    5 and name  HD*) (resid   36 and name   HG)                ! 0.2911  167:2  -----  4.63, 6.05 A
assign (resid   13 and name  HD*) (resid   17 and name HG2*) 3.15 1.35 1.35 ! 0.0000  168:2  Mid    2.55, 5.60 A
assign (resid   31 and name  HE*) (resid   11 and name   HB) 3.15 1.35 1.35 ! 0.5223  169:2  Ambig  2.98, 4.39 A
    or (resid   31 and name  HE*) (resid   30 and name  HB2)                ! 0.4777  169:2  -----  3.02, 4.37 A
assign (resid   32 and name  HD*) (resid   28 and name HD1*) 2.65 0.85 0.85 ! 0.9691  170:2  Mid    1.95, 5.14 A
assign (resid    9 and name   HN) (resid    7 and name  HG2) 2.65 0.85 0.85 ! 0.7324  171:2  Ambig  1.94, 3.56 A
    or (resid   33 and name   HN) (resid    7 and name  HG2)                ! 0.1782  171:2  -----  2.46, 3.40 A
assign (resid    5 and name  HD*) (resid   36 and name HD2*) 2.30 0.50 0.50 ! 0.6281  172:2  Ambig  2.47, 4.66 A
    or (resid    4 and name  HD2) (resid   36 and name HD2*)                ! 0.3719  172:2  -----  2.70, 4.10 A
assign (resid   32 and name  HD*) (resid   28 and name HD2*) 3.15 1.35 1.35 ! 0.0000  173:2  Mid    5.22, 7.49 A
assign (resid   31 and name  HE*) (resid   11 and name HG2*) 2.65 0.85 0.85 ! 0.9818  174:2  Long   2.71, 5.08 A
assign (resid   13 and name  HE*) (resid   17 and name HG2*) 3.65 1.85 1.85 ! 0.9359  175:2  Mid    3.72, 6.32 A
assign (resid   32 and name  HE*) (resid   28 and name HD1*) 2.65 0.85 0.85 ! 0.9444  176:2  Mid    2.08, 5.00 A
assign (resid    5 and name  HE*) (resid   36 and name HD2*) 2.65 0.85 0.85 ! 0.0000  177:2  Long   2.67, 4.42 A
assign (resid   32 and name  HE*) (resid   28 and name HD2*) 3.15 1.35 1.35 ! 0.0000  178:2  Mid    5.23, 7.79 A
assign (resid   24 and name   HN) (resid   23 and name HG2*) 3.15 1.35 1.35 ! 0.0000  179:2  Seq    3.90, 4.65 A
assign (resid   36 and name   HN) (resid   23 and name HG2*) 3.65 1.85 1.85 ! 0.0000  180:2  Long   4.67, 5.47 A
assign (resid    4 and name  HE1) (resid   23 and name HG2*) 3.65 1.85 1.85 ! 0.0000  181:2  Long   4.09, 5.69 A
assign (resid   23 and name   HN) (resid   23 and name HG2*) 3.15 1.35 1.35 ! 0.0000  182:2  Intra  2.71, 3.76 A
assign (resid   31 and name  HD*) (resid   11 and name HD1*) 3.15 1.35 1.35 ! 0.0000  183:2  Long   3.61, 5.72 A
assign (resid   31 and name  HE*) (resid   11 and name HD1*) 3.15 1.35 1.35 ! 0.0000  184:2  Long   3.64, 5.43 A
assign (resid    4 and name  HD2) (resid   23 and name HG2*) 2.65 0.85 0.85 ! 0.0000  185:2  Long   2.17, 3.18 A
assign (resid    8 and name   HA) (resid    8 and name   HN) 3.65 1.85 1.85 ! 0.9634  186:2  Intra  2.81, 2.86 A
assign (resid   15 and name   HN) (resid   13 and name  HD*) 3.65 1.85 1.85 ! 0.9682  187:2  Mid    2.11, 3.68 A
assign (resid   33 and name   HA) (resid   33 and name   HN) 3.15 1.35 1.35 ! 0.5633  188:2  Ambig  2.92, 2.93 A
    or (resid    8 and name   HA) (resid    9 and name   HN)                ! 0.3973  188:2  -----  3.09, 3.54 A
assign (resid   15 and name   HN) (resid   13 and name  HE*) 3.15 1.35 1.35 ! 0.9038  189:2  Mid    2.53, 4.05 A
assign (resid    8 and name   HA) (resid   17 and name   HA) 2.65 0.85 0.85 ! 0.9344  190:2  Long   2.85, 3.09 A
assign (resid   15 and name   HN) (resid   13 and name   HA) 3.15 1.35 1.35 ! 0.5745  191:2  Ambig  3.47, 3.69 A
    or (resid   33 and name   HA) (resid   32 and name   HA)                ! 0.1573  191:2  -----  4.31, 4.34 A
    or (resid    8 and name   HA) (resid   19 and name   HA)                ! 0.0845  191:2  -----  4.78, 4.96 A
assign (resid    8 and name   HA) (resid    8 and name  HB2) 2.30 0.50 0.50 ! 0.9152  192:2  Intra  2.43, 2.54 A
assign (resid    8 and name   HA) (resid    8 and name  HB1) 2.30 0.50 0.50 ! 0.7989  193:2  Ambig  2.31, 2.34 A
    or (resid   33 and name   HA) (resid   33 and name  HB2)                ! 0.1571  193:2  -----  3.03, 3.03 A
assign (resid    8 and name   HA) (resid    2 and name  HG2) 3.15 1.35 1.35 ! 0.9877  194:2  Long   2.03, 2.24 A
assign (resid    8 and name   HA) (resid    2 and name  HB2) 3.65 1.85 1.85 ! 0.8972  195:2  Long   2.73, 3.09 A
assign (resid    8 and name   HA) (resid    2 and name  HB1) 3.15 1.35 1.35 ! 0.5317  196:2  Ambig  2.79, 3.28 A
    or (resid   33 and name   HA) (resid   28 and name   HG)                ! 0.4529  196:2  -----  2.87, 3.23 A
assign (resid   15 and name   HN) (resid   17 and name HG2*) 3.15 1.35 1.35 ! 0.8226  197:2  Mid    3.38, 4.62 A
assign (resid   33 and name   HA) (resid   28 and name HD1*) 3.15 1.35 1.35 ! 0.4136  198:2  Ambig  4.23, 5.24 A
    or (resid    8 and name   HA) (resid    7 and name  HG2)                ! 0.3041  198:2  -----  4.45, 4.75 A
    or (resid   33 and name   HA) (resid    7 and name  HG2)                ! 0.2330  198:2  -----  4.65, 5.80 A
assign (resid   33 and name   HA) (resid   34 and name   HN) 2.30 0.50 0.50 ! 0.9862  199:2  Seq    2.19, 2.28 A
assign (resid   35 and name   HA) (resid   36 and name   HN) 2.30 0.50 0.50 ! 0.9166  200:2  Seq    2.04, 2.08 A
assign (resid   35 and name   HA) (resid   24 and name   HN) 3.65 1.85 1.85 ! 0.7114  201:2  Ambig  3.91, 4.17 A
    or (resid   35 and name   HA) (resid    5 and name   HN)                ! 0.2886  201:2  -----  4.55, 4.66 A
assign (resid   33 and name   HA) (resid   28 and name   HN) 2.30 0.50 0.50 ! 0.9367  202:2  Long   2.00, 2.19 A
assign (resid   35 and name   HA) (resid   35 and name   HN) 3.15 1.35 1.35 ! 0.0000  203:2  Intra  2.84, 2.85 A
assign (resid   35 and name   HA) (resid   36 and name   HA) 3.65 1.85 1.85 ! 0.6133  204:2  Ambig  4.31, 4.34 A
    or (resid   35 and name   HA) (resid   24 and name   HA)                ! 0.3867  204:2  -----  4.65, 4.78 A
assign (resid   35 and name   HA) (resid   25 and name   HA) 2.65 0.85 0.85 ! 0.9988  205:2  Long   1.92, 2.45 A
assign (resid   33 and name   HA) (resid   27 and name   HA) 2.65 0.85 0.85 ! 0.8983  206:2  Long   1.98, 2.28 A
assign (resid   35 and name   HA) (resid   23 and name   HB) 3.15 1.35 1.35 ! 0.0000  207:2  Long   3.50, 3.68 A
assign (resid   35 and name   HA) (resid   25 and name  HB2) 3.65 1.85 1.85 ! 0.0000  208:2  Long   3.46, 4.31 A
assign (resid   35 and name   HA) (resid   35 and name  HB1) 2.65 0.85 0.85 ! 0.0000  209:2  Intra  2.47, 2.49 A
assign (resid   35 and name   HA) (resid   35 and name  HB2) 2.65 0.85 0.85 ! 0.9233  210:2  Intra  2.99, 3.01 A
assign (resid   33 and name   HA) (resid   28 and name  HB2) 3.15 1.35 1.35 ! 0.6682  211:2  Ambig  3.46, 3.81 A
    or (resid   33 and name   HA) (resid   34 and name  HB1)                ! 0.1906  211:2  -----  4.26, 4.44 A
assign (resid   35 and name   HA) (resid   36 and name  HB*) 3.15 1.35 1.35 ! 0.8474  212:2  Seq    4.43, 5.07 A
assign (resid   33 and name   HA) (resid   27 and name HG2*) 3.15 1.35 1.35 ! 0.7643  213:2  Ambig  3.72, 5.06 A
    or (resid   33 and name   HA) (resid   28 and name HD2*)                ! 0.2067  213:2  -----  4.62, 5.53 A
assign (resid   33 and name   HA) (resid   27 and name HG1*) 3.15 1.35 1.35 ! 0.0000  214:2  Long   3.66, 4.87 A
assign (resid   35 and name   HA) (resid   36 and name HD2*) 3.65 1.85 1.85 ! 0.0000  215:2  Seq    5.08, 6.02 A
assign (resid   35 and name   HA) (resid   36 and name HD1*) 3.65 1.85 1.85 ! 0.0000  216:2  Seq    5.60, 6.38 A
assign (resid   35 and name   HA) (resid   36 and name   HG) 3.15 1.35 1.35 ! 0.9530  217:2  Seq    3.92, 4.15 A
assign (resid   25 and name   HA) (resid   26 and name   HN) 2.30 0.50 0.50 ! 0.8083  218:2  Seq    2.01, 2.15 A
assign (resid   24 and name   HA) (resid   24 and name   HN) 3.15 1.35 1.35 ! 0.6766  219:2  Ambig  2.92, 2.93 A
    or (resid   36 and name   HA) (resid    5 and name   HN)                ! 0.2137  219:2  -----  3.54, 3.81 A
assign (resid   36 and name   HA) (resid   36 and name   HN) 2.65 0.85 0.85 ! 0.9152  220:2  Intra  2.87, 2.90 A
assign (resid    4 and name   HA) (resid    5 and name   HN) 3.65 1.85 1.85 ! 0.9602  221:2  Seq    2.13, 2.19 A
assign (resid   24 and name   HB) (resid   26 and name   HN) 3.65 1.85 1.85 ! 0.3768  222:2  Ambig  4.71, 4.93 A
    or (resid   24 and name   HB) (resid   36 and name   HN)                ! 0.3283  222:2  -----  4.82, 4.97 A
    or (resid    4 and name   HA) (resid   36 and name   HN)                ! 0.2720  222:2  -----  4.97, 5.16 A
assign (resid   27 and name   HA) (resid   34 and name   HN) 3.15 1.35 1.35 ! 0.8538  223:2  Long   3.36, 3.64 A
assign (resid   23 and name   HB) (resid   24 and name   HN) 2.65 0.85 0.85 ! 0.9696  224:2  Seq    2.52, 2.76 A
assign (resid   12 and name  HA2) (resid   12 and name   HN) 3.15 1.35 1.35 ! 0.8039  225:2  Intra  2.35, 2.42 A
assign (resid   33 and name  HB1) (resid   34 and name   HN) 2.65 0.85 0.85 ! 0.8498  226:2  Seq    2.95, 3.20 A
assign (resid   25 and name  HB2) (resid   26 and name   HN) 3.65 1.85 1.85 ! 0.0000  227:2  Seq    4.34, 4.45 A
assign (resid   35 and name  HB1) (resid   36 and name   HN) 3.15 1.35 1.35 ! 0.9317  228:2  Seq    3.47, 3.60 A
assign (resid   25 and name  HB1) (resid   26 and name   HN) 3.15 1.35 1.35 ! 0.3907  229:2  Ambig  4.24, 4.42 A
    or (resid   35 and name  HB2) (resid   36 and name   HN)                ! 0.3665  229:2  -----  4.29, 4.35 A
    or (resid   25 and name  HB1) (resid   34 and name   HN)                ! 0.0691  229:2  -----  5.66, 6.40 A
assign (resid   33 and name  HB2) (resid   34 and name   HN) 3.15 1.35 1.35 ! 0.6349  230:2  Ambig  3.90, 4.05 A
    or (resid   13 and name  HB*) (resid   12 and name   HN)                ! 0.2479  230:2  -----  4.56, 4.87 A
assign (resid   26 and name  HG2) (resid   26 and name   HN) 3.15 1.35 1.35 ! 0.6664  231:2  Ambig  2.58, 3.71 A
    or (resid   26 and name  HG2) (resid   36 and name   HN)                ! 0.3205  231:2  -----  2.92, 4.87 A
assign (resid   26 and name  HG1) (resid   26 and name   HN) 3.15 1.35 1.35 ! 0.7094  232:2  Ambig  2.51, 2.83 A
    or (resid   26 and name  HG1) (resid   36 and name   HN)                ! 0.2813  232:2  -----  2.93, 3.28 A
assign (resid   26 and name  HB2) (resid   26 and name   HN) 2.65 0.85 0.85 ! 0.8254  233:2  Intra  2.34, 2.48 A
assign (resid   26 and name  HB1) (resid   26 and name   HN) 3.15 1.35 1.35 ! 0.9178  234:2  Intra  3.57, 3.66 A
assign (resid   36 and name  HB*) (resid   36 and name   HN) 2.65 0.85 0.85 ! 0.7389  235:2  Ambig  2.52, 3.19 A
    or (resid   34 and name  HB2) (resid   34 and name   HN)                ! 0.2512  235:2  -----  3.02, 3.15 A
assign (resid   24 and name HG2*) (resid   24 and name   HN) 3.65 1.85 1.85 ! 0.0000  236:2  Intra  2.83, 3.83 A
assign (resid   36 and name   HG) (resid   36 and name   HN) 3.15 1.35 1.35 ! 0.7474  237:2  Ambig  3.09, 3.23 A
    or (resid   36 and name   HG) (resid   26 and name   HN)                ! 0.1599  237:2  -----  3.99, 4.32 A
assign (resid   28 and name HD1*) (resid   34 and name   HN) 3.65 1.85 1.85 ! 0.7330  238:2  Ambig  3.95, 4.64 A
    or (resid    7 and name  HG2) (resid   34 and name   HN)                ! 0.1688  238:2  -----  5.05, 6.31 A
assign (resid   36 and name HD2*) (resid   36 and name   HN) 3.65 1.85 1.85 ! 0.9208  239:2  Intra  4.10, 4.91 A
assign (resid   28 and name HD2*) (resid   34 and name   HN) 3.15 1.35 1.35 ! 0.3339  240:2  Ambig  3.91, 4.88 A
    or (resid   36 and name HD1*) (resid   26 and name   HN)                ! 0.2236  240:2  -----  4.18, 5.53 A
    or (resid   36 and name HD1*) (resid   36 and name   HN)                ! 0.1765  240:2  -----  4.35, 5.10 A
    or (resid   36 and name HD1*) (resid   34 and name   HN)                ! 0.1389  240:2  -----  4.53, 5.66 A
assign (resid   23 and name HG2*) (resid   24 and name   HN) 3.65 1.85 1.85 ! 0.6923  241:2  Ambig  3.90, 4.65 A
    or (resid   23 and name HG2*) (resid    5 and name   HN)                ! 0.3077  241:2  -----  4.47, 5.57 A
assign (resid   26 and name   HA) (resid   27 and name   HN) 3.65 1.85 1.85 ! 0.9595  242:2  Seq    2.00, 2.05 A
assign (resid    7 and name   HA) (resid   35 and name   HN) 3.15 1.35 1.35 ! 0.8548  243:2  Long   3.50, 3.69 A
assign (resid   27 and name   HA) (resid   28 and name   HN) 2.30 0.50 0.50 ! 0.8009  244:2  Seq    2.13, 2.16 A
assign (resid   33 and name  HB1) (resid   28 and name   HN) 3.65 1.85 1.85 ! 0.4477  245:2  Ambig  3.91, 4.22 A
    or (resid   33 and name  HB1) (resid   27 and name   HN)                ! 0.3007  245:2  -----  4.18, 4.45 A
    or (resid   33 and name  HB1) (resid   10 and name   HN)                ! 0.1693  245:2  -----  4.60, 4.97 A
assign (resid   29 and name  HB*) (resid   29 and name   HN) 3.15 1.35 1.35 ! 0.9605  246:2  Intra  2.69, 3.31 A
assign (resid   31 and name  HB2) (resid   31 and name   HN) 3.15 1.35 1.35 ! 0.0000  247:2  Intra  2.45, 2.56 A
assign (resid   13 and name  HB*) (resid   10 and name   HN) 3.65 1.85 1.85 ! 0.9284  248:2  Mid    1.82, 2.54 A
assign (resid   35 and name  HB2) (resid   35 and name   HN) 2.65 0.85 0.85 ! 0.9821  249:2  Intra  2.37, 2.42 A
assign (resid   35 and name  HB1) (resid   35 and name   HN) 3.15 1.35 1.35 ! 0.9345  250:2  Intra  3.57, 3.60 A
assign (resid   32 and name  HB1) (resid   29 and name   HN) 3.65 1.85 1.85 ! 0.8853  251:2  Mid    2.96, 3.43 A
assign (resid   34 and name  HG1) (resid   35 and name   HN) 3.15 1.35 1.35 ! 0.0000  252:2  Seq    2.57, 2.77 A
assign (resid   28 and name  HB2) (resid   29 and name   HN) 2.30 0.50 0.50 ! 0.4365  253:2  Ambig  2.26, 2.54 A
    or (resid   27 and name   HB) (resid   27 and name   HN)                ! 0.2801  253:2  -----  2.43, 2.50 A
    or (resid   28 and name  HB2) (resid   28 and name   HN)                ! 0.2500  253:2  -----  2.48, 2.53 A
assign (resid   28 and name   HG) (resid   28 and name   HN) 2.65 0.85 0.85 ! 0.8546  254:2  Intra  2.22, 2.45 A
assign (resid   34 and name  HG2) (resid   35 and name   HN) 3.15 1.35 1.35 ! 0.9969  255:2  Seq    2.70, 2.95 A
assign (resid   34 and name  HB2) (resid   35 and name   HN) 3.65 1.85 1.85 ! 0.7887  256:2  Ambig  3.90, 4.05 A
    or (resid   36 and name  HB*) (resid    4 and name  HE1)                ! 0.1361  256:2  -----  5.23, 6.72 A
assign (resid    7 and name  HG2) (resid   10 and name   HN) 3.65 1.85 1.85 ! 0.9390  257:2  Mid    2.37, 3.08 A
assign (resid   28 and name HD2*) (resid   28 and name   HN) 3.65 1.85 1.85 ! 0.7860  258:2  Ambig  3.24, 4.17 A
    or (resid   28 and name HD2*) (resid   27 and name   HN)                ! 0.1094  258:2  -----  4.51, 5.76 A
assign (resid   27 and name HG2*) (resid   27 and name   HN) 3.15 1.35 1.35 ! 0.9806  259:2  Intra  2.11, 3.07 A
assign (resid   27 and name HG1*) (resid   29 and name   HN) 2.65 0.85 0.85 ! 0.6201  260:2  Ambig  2.89, 4.03 A
    or (resid   27 and name HG1*) (resid   28 and name   HN)                ! 0.3199  260:2  -----  3.23, 4.15 A
assign (resid   13 and name   HA) (resid   13 and name   HN) 3.15 1.35 1.35 ! 0.4997  261:2  Ambig  2.90, 2.93 A
    or (resid   32 and name   HA) (resid   32 and name   HN)                ! 0.4969  261:2  -----  2.90, 2.91 A
assign (resid   22 and name  HA1) (resid   23 and name   HN) 3.15 1.35 1.35 ! 0.0000  262:2  Seq    3.25, 3.37 A
assign (resid   21 and name   HA) (resid   23 and name   HN) 3.15 1.35 1.35 ! 0.0000  263:2  Mid    3.34, 3.67 A
assign (resid    7 and name   HA) (resid    8 and name   HN) 2.65 0.85 0.85 ! 0.9973  264:2  Seq    2.03, 2.09 A
assign (resid   31 and name   HA) (resid   32 and name   HN) 3.15 1.35 1.35 ! 0.9081  265:2  Seq    3.44, 3.48 A
assign (resid   22 and name  HA2) (resid   23 and name   HN) 3.15 1.35 1.35 ! 0.9629  266:2  Seq    3.04, 3.20 A
assign (resid   31 and name  HB2) (resid   32 and name   HN) 3.15 1.35 1.35 ! 0.9945  267:2  Seq    2.97, 3.05 A
assign (resid   13 and name  HB*) (resid   13 and name   HN) 2.65 0.85 0.85 ! 0.6620  268:2  Ambig  2.48, 2.67 A
    or (resid   32 and name  HB2) (resid   32 and name   HN)                ! 0.3321  268:2  -----  2.78, 2.89 A
assign (resid   32 and name  HB1) (resid   32 and name   HN) 3.15 1.35 1.35 ! 0.0000  269:2  Intra  2.63, 2.73 A
assign (resid    7 and name  HG1) (resid    8 and name   HN) 3.15 1.35 1.35 ! 0.9906  270:2  Seq    3.39, 3.66 A
assign (resid   23 and name HG2*) (resid   23 and name   HN) 3.15 1.35 1.35 ! 0.0000  271:2  Intra  2.71, 3.76 A
assign (resid   32 and name   HA) (resid   32 and name  HD*) 2.65 0.85 0.85 ! 0.7420  272:2  Ambig  2.31, 3.44 A
    or (resid   13 and name   HA) (resid   13 and name  HD*)                ! 0.2478  272:2  -----  2.77, 3.54 A
assign (resid   31 and name   HA) (resid   31 and name  HD*) 2.65 0.85 0.85 ! 0.0000  273:2  Intra  2.65, 3.56 A
assign (resid    7 and name   HA) (resid   32 and name  HD*) 3.65 1.85 1.85 ! 0.8856  274:2  Long   4.91, 5.68 A
assign (resid    9 and name  HA1) (resid   13 and name  HD*) 2.65 0.85 0.85 ! 0.0000  275:2  Mid    2.55, 5.07 A
assign (resid   31 and name  HB1) (resid   31 and name  HD*) 2.65 0.85 0.85 ! 0.9972  276:2  Intra  2.28, 3.05 A
assign (resid   31 and name  HB2) (resid   31 and name  HD*) 2.30 0.50 0.50 ! 0.9853  279:2  Intra  2.30, 3.05 A
assign (resid   13 and name  HB*) (resid   13 and name  HD*) 2.30 0.50 0.50 ! 0.5394  281:2  Ambig  2.29, 3.04 A
    or (resid   32 and name  HB2) (resid   32 and name  HD*)                ! 0.4569  281:2  -----  2.35, 3.07 A
assign (resid   32 and name  HB1) (resid   32 and name  HD*) 2.65 0.85 0.85 ! 0.0000  282:2  Intra  2.33, 3.06 A
assign (resid    7 and name  HG1) (resid   32 and name  HD*) 3.15 1.35 1.35 ! 0.9447  283:2  Long   2.70, 4.51 A
assign (resid   28 and name   HG) (resid   32 and name  HD*) 3.15 1.35 1.35 ! 0.5031  284:2  Ambig  3.30, 5.43 A
    or (resid   28 and name  HB1) (resid   32 and name  HD*)                ! 0.4969  284:2  -----  3.30, 5.73 A
assign (resid   11 and name   HB) (resid   31 and name  HD*) 2.65 0.85 0.85 ! 0.0000  285:2  Long   2.06, 3.73 A
assign (resid   11 and name HG2*) (resid   31 and name  HD*) 3.15 1.35 1.35 ! 0.0000  286:2  Long   2.64, 5.42 A
assign (resid   28 and name HD1*) (resid   32 and name  HD*) 2.65 0.85 0.85 ! 0.9223  287:2  Mid    1.95, 5.14 A
assign (resid   11 and name HD1*) (resid   31 and name  HD*) 3.65 1.85 1.85 ! 0.0000  288:2  Long   3.61, 5.72 A
assign (resid   32 and name   HA) (resid   33 and name   HN) 2.30 0.50 0.50 ! 0.9867  289:2  Seq    1.99, 2.06 A
assign (resid   36 and name   HA) (resid    4 and name  HD2) 2.65 0.85 0.85 ! 0.9951  290:2  Long   1.92, 2.10 A
assign (resid    7 and name   HA) (resid    9 and name   HN) 3.15 1.35 1.35 ! 0.5495  291:2  Ambig  3.54, 4.29 A
    or (resid    7 and name   HA) (resid   33 and name   HN)                ! 0.2978  291:2  -----  3.92, 4.08 A
assign (resid    7 and name   HA) (resid   32 and name  HE*) 3.15 1.35 1.35 ! 0.7577  292:2  Ambig  3.84, 4.87 A
    or (resid    6 and name  HA2) (resid   32 and name  HE*)                ! 0.1495  292:2  -----  5.04, 6.16 A
assign (resid    5 and name   HA) (resid    5 and name  HD*) 2.65 0.85 0.85 ! 0.9659  293:2  Intra  2.28, 3.45 A
assign (resid    4 and name   HA) (resid    4 and name  HD2) 2.65 0.85 0.85 ! 0.9695  294:2  Intra  2.24, 2.61 A
assign (resid    9 and name  HA2) (resid    9 and name   HN) 3.15 1.35 1.35 ! 0.7421  295:2  Ambig  2.32, 2.79 A
    or (resid   10 and name  HA1) (resid   33 and name   HN)                ! 0.2299  295:2  -----  2.82, 3.11 A
assign (resid   33 and name  HB1) (resid    9 and name   HN) 3.15 1.35 1.35 ! 0.7806  296:2  Ambig  2.96, 3.30 A
    or (resid   33 and name  HB1) (resid   33 and name   HN)                ! 0.2194  296:2  -----  3.66, 3.72 A
assign (resid   15 and name  HA1) (resid   13 and name  HE*) 3.15 1.35 1.35 ! 0.0000  297:2  Mid    2.56, 3.91 A
assign (resid    5 and name  HB2) (resid    5 and name  HD*) 2.65 0.85 0.85 ! 0.9906  298:2  Intra  2.27, 3.03 A
assign (resid    5 and name  HB1) (resid    5 and name  HD*) 2.30 0.50 0.50 ! 0.7526  299:2  Ambig  2.32, 3.05 A
    or (resid    4 and name  HB1) (resid    5 and name  HD*)                ! 0.2075  299:2  -----  2.87, 5.32 A
assign (resid    4 and name  HB2) (resid    4 and name  HD2) 3.15 1.35 1.35 ! 0.6580  300:2  Ambig  3.05, 3.25 A
    or (resid   35 and name  HB2) (resid    4 and name  HD2)                ! 0.2406  300:2  -----  3.60, 4.23 A
assign (resid   33 and name  HB2) (resid    9 and name   HN) 2.65 0.85 0.85 ! 0.7674  301:2  Ambig  2.00, 2.24 A
    or (resid   33 and name  HB2) (resid   33 and name   HN)                ! 0.2114  301:2  -----  2.48, 2.57 A
assign (resid   13 and name  HB*) (resid   13 and name  HE*) 3.15 1.35 1.35 ! 0.4662  302:2  Ambig  4.58, 5.04 A
    or (resid   32 and name  HB2) (resid   32 and name  HE*)                ! 0.4491  302:2  -----  4.60, 5.05 A
assign (resid    7 and name  HG1) (resid   33 and name   HN) 2.65 0.85 0.85 ! 0.9574  303:2  Long   2.08, 2.41 A
assign (resid    7 and name  HG1) (resid   32 and name  HE*) 3.15 1.35 1.35 ! 0.9469  304:2  Long   3.01, 4.79 A
assign (resid   28 and name  HB2) (resid   32 and name  HD*) 2.65 0.85 0.85 ! 0.0000  305:2  Mid    2.18, 4.35 A
assign (resid    7 and name  HB2) (resid   32 and name  HE*) 2.65 0.85 0.85 ! 0.9830  306:2  Long   2.21, 4.16 A
assign (resid   34 and name  HB1) (resid   32 and name  HE*) 3.15 1.35 1.35 ! 0.7590  307:2  Ambig  3.31, 5.07 A
    or (resid   28 and name  HB2) (resid   32 and name  HE*)                ! 0.2410  307:2  -----  4.01, 5.74 A
assign (resid    7 and name  HB1) (resid   13 and name  HE*) 3.15 1.35 1.35 ! 0.8501  308:2  Long   2.95, 4.27 A
assign (resid   34 and name  HB2) (resid   32 and name  HE*) 2.65 0.85 0.85 ! 0.0000  309:2  Mid    1.91, 3.64 A
assign (resid   17 and name HG2*) (resid   13 and name  HE*) 3.15 1.35 1.35 ! 0.8191  310:2  Mid    3.72, 6.32 A
assign (resid   28 and name HD2*) (resid   32 and name  HD*) 3.15 1.35 1.35 ! 0.0000  311:2  Mid    5.22, 7.49 A
assign (resid   36 and name HD2*) (resid    5 and name  HD*) 2.65 0.85 0.85 ! 0.6221  312:2  Ambig  2.47, 4.66 A
    or (resid   36 and name HD2*) (resid    4 and name  HD2)                ! 0.3684  312:2  -----  2.70, 4.10 A
assign (resid   11 and name HG2*) (resid   31 and name  HE*) 3.15 1.35 1.35 ! 0.0000  313:2  Long   2.71, 5.08 A
assign (resid    7 and name  HG2) (resid    9 and name   HN) 2.65 0.85 0.85 ! 0.7772  314:2  Ambig  1.94, 3.56 A
    or (resid    7 and name  HG2) (resid   33 and name   HN)                ! 0.1891  314:2  -----  2.46, 3.40 A
assign (resid   28 and name HD1*) (resid   32 and name  HE*) 3.15 1.35 1.35 ! 0.9444  315:2  Mid    2.08, 5.00 A
assign (resid   36 and name HD2*) (resid    5 and name  HE*) 3.15 1.35 1.35 ! 0.0000  316:2  Long   2.67, 4.42 A
assign (resid   11 and name HD1*) (resid   31 and name  HE*) 3.15 1.35 1.35 ! 0.0000  317:2  Long   3.64, 5.43 A
assign (resid   23 and name HG2*) (resid    4 and name  HD2) 3.15 1.35 1.35 ! 0.0000  318:2  Long   2.17, 3.18 A
assign (resid   25 and name   HA) (resid   35 and name   HA) 2.65 0.85 0.85 ! 0.9988  319:2  Long   1.92, 2.45 A
assign (resid   27 and name   HA) (resid   33 and name   HA) 2.65 0.85 0.85 ! 0.9971  320:2  Long   1.98, 2.28 A
assign (resid   30 and name  HD1) (resid   29 and name   HA) 2.30 0.50 0.50 ! 0.0000  321:2  Seq    2.16, 2.21 A
assign (resid    8 and name  HB2) (resid    8 and name   HA) 2.65 0.85 0.85 ! 0.9152  322:2  Intra  2.43, 2.54 A
assign (resid   33 and name  HB1) (resid   33 and name   HA) 2.65 0.85 0.85 ! 0.9942  323:2  Intra  2.45, 2.48 A
assign (resid   30 and name  HD2) (resid   29 and name   HA) 2.65 0.85 0.85 ! 0.0000  324:2  Seq    3.09, 3.15 A
assign (resid   29 and name  HB*) (resid   29 and name   HA) 2.30 0.50 0.50 ! 0.0000  325:2  Intra  2.36, 2.71 A
assign (resid   33 and name  HB2) (resid   33 and name   HA) 2.65 0.85 0.85 ! 0.7874  326:2  Ambig  3.03, 3.03 A
    or (resid   13 and name  HB*) (resid   15 and name   HN)                ! 0.1494  326:2  -----  3.99, 4.58 A
assign (resid   35 and name  HB1) (resid   35 and name   HA) 2.65 0.85 0.85 ! 0.0000  327:2  Intra  2.47, 2.49 A
assign (resid   35 and name  HB2) (resid   35 and name   HA) 2.65 0.85 0.85 ! 0.9233  328:2  Intra  2.99, 3.01 A
assign (resid    8 and name  HB1) (resid    8 and name   HA) 2.65 0.85 0.85 ! 0.9980  329:2  Intra  2.31, 2.34 A
assign (resid    2 and name  HG1) (resid    2 and name   HA) 3.65 1.85 1.85 ! 0.9826  330:2  Intra  2.73, 3.04 A
assign (resid    2 and name  HG2) (resid    2 and name   HA) 3.65 1.85 1.85 ! 0.8450  331:2  Intra  3.68, 3.75 A
assign (resid   34 and name  HG1) (resid   34 and name   HA) 3.15 1.35 1.35 ! 0.0000  332:2  Intra  2.51, 2.59 A
assign (resid   28 and name  HB2) (resid   33 and name   HA) 3.65 1.85 1.85 ! 0.8256  333:2  Long   3.46, 3.81 A
assign (resid    2 and name  HB1) (resid    8 and name   HA) 3.15 1.35 1.35 ! 0.5317  334:2  Ambig  2.79, 3.28 A
    or (resid   28 and name   HG) (resid   33 and name   HA)                ! 0.4529  334:2  -----  2.87, 3.23 A
assign (resid   30 and name  HG2) (resid   29 and name   HA) 3.65 1.85 1.85 ! 0.0000  335:2  Seq    4.77, 4.82 A
assign (resid   30 and name  HG1) (resid   29 and name   HA) 3.65 1.85 1.85 ! 0.0000  336:2  Seq    4.21, 4.28 A
assign (resid   34 and name  HG2) (resid   34 and name   HA) 3.15 1.35 1.35 ! 0.5310  337:2  Ambig  3.08, 3.24 A
    or (resid   16 and name  HG2) (resid    2 and name   HA)                ! 0.4690  337:2  -----  3.14, 3.62 A
assign (resid   34 and name  HB1) (resid   34 and name   HA) 3.15 1.35 1.35 ! 0.9881  338:2  Intra  3.00, 3.02 A
assign (resid    2 and name  HB1) (resid    2 and name   HA) 3.15 1.35 1.35 ! 0.9833  339:2  Intra  3.00, 3.02 A
assign (resid    2 and name  HB2) (resid    2 and name   HA) 2.65 0.85 0.85 ! 0.6161  340:2  Ambig  2.47, 2.51 A
    or (resid   16 and name  HB2) (resid    2 and name   HA)                ! 0.3828  340:2  -----  2.67, 3.51 A
assign (resid   34 and name  HB2) (resid   34 and name   HA) 2.65 0.85 0.85 ! 0.9976  341:2  Intra  2.34, 2.43 A
assign (resid   27 and name HG1*) (resid   33 and name   HA) 3.65 1.85 1.85 ! 0.0000  342:2  Long   3.66, 4.87 A
assign (resid   27 and name HG1*) (resid   29 and name   HA) 3.15 1.35 1.35 ! 0.0000  343:2  Mid    3.39, 4.98 A
assign (resid  101 and name   H1) (resid    1 and name   HB) 2.30 0.50 0.50 ! 0.0000  344:2  Long   2.28, 2.41 A
assign (resid    1 and name   HB) (resid  101 and name   H1) 2.30 0.50 0.50 ! 0.0000  345:2  Long   2.28, 2.41 A
assign (resid   24 and name   HB) (resid   24 and name   HA) 2.30 0.50 0.50 ! 0.9165  346:2  Intra  2.49, 2.54 A
assign (resid   21 and name  HB*) (resid   21 and name   HA) 2.30 0.50 0.50 ! 0.9944  348:2  Intra  2.31, 2.70 A
assign (resid    8 and name  HB2) (resid   17 and name   HA) 2.65 0.85 0.85 ! 0.9928  349:2  Long   2.34, 3.02 A
assign (resid   23 and name   HB) (resid   23 and name   HA) 2.30 0.50 0.50 ! 0.9989  350:2  Intra  2.44, 2.48 A
assign (resid  101 and name   H2) (resid  101 and name   H1) 2.65 0.85 0.85 ! 0.9843  351:2  Intra  2.54, 2.85 A
assign (resid  101 and name  H61) (resid  101 and name   H1) 3.65 1.85 1.85 ! 0.9620  352:2  Intra  2.03, 3.12 A
assign (resid    8 and name  HB2) (resid   25 and name   HA) 3.65 1.85 1.85 ! 0.4535  353:2  Ambig  3.63, 3.99 A
    or (resid    8 and name  HB2) (resid   17 and name   HB)                ! 0.4118  353:2  -----  3.69, 4.09 A
assign (resid   19 and name  HB1) (resid   19 and name   HA) 2.65 0.85 0.85 ! 0.9284  354:2  Intra  2.45, 2.48 A
assign (resid   14 and name  HB1) (resid   14 and name   HA) 2.65 0.85 0.85 ! 0.9979  355:2  Intra  2.29, 2.36 A
assign (resid   14 and name  HB2) (resid   14 and name   HA) 2.65 0.85 0.85 ! 0.9927  356:2  Intra  2.50, 2.55 A
assign (resid   16 and name  HD2) (resid   16 and name   HA) 3.65 1.85 1.85 ! 0.8588  357:2  Intra  3.93, 4.07 A
assign (resid  101 and name   H4) (resid  101 and name  H62) 3.15 1.35 1.35 ! 0.9942  360:2  Intra  2.34, 2.64 A
assign (resid   25 and name  HB2) (resid   17 and name   HA) 3.65 1.85 1.85 ! 0.9502  362:2  Long   4.70, 5.18 A
assign (resid   25 and name  HB2) (resid   25 and name   HA) 2.65 0.85 0.85 ! 0.9759  363:2  Intra  2.43, 2.47 A
assign (resid   31 and name  HB1) (resid   31 and name   HA) 2.65 0.85 0.85 ! 0.0000  364:2  Intra  2.40, 2.45 A
assign (resid    8 and name  HB1) (resid   17 and name   HA) 3.15 1.35 1.35 ! 0.0000  366:2  Long   3.95, 4.28 A
assign (resid   35 and name  HB1) (resid   23 and name   HA) 3.65 1.85 1.85 ! 0.0000  367:2  Long   4.69, 5.05 A
assign (resid   25 and name  HB1) (resid   25 and name   HA) 2.65 0.85 0.85 ! 0.8904  368:2  Intra  3.01, 3.04 A
assign (resid    4 and name  HB2) (resid   23 and name   HA) 4.15 2.35 2.35 ! 0.5600  369:2  Ambig  5.58, 5.96 A
    or (resid   25 and name  HB1) (resid   17 and name   HA)                ! 0.4400  369:2  -----  5.81, 6.31 A
assign (resid   35 and name  HB2) (resid   19 and name   HA) 3.15 1.35 1.35 ! 0.4296  370:2  Ambig  4.19, 4.62 A
    or (resid   31 and name  HB2) (resid   32 and name   HA)                ! 0.3773  370:2  -----  4.28, 4.51 A
assign (resid   32 and name  HB2) (resid   32 and name   HA) 2.30 0.50 0.50 ! 0.5364  371:2  Ambig  2.42, 2.48 A
    or (resid   13 and name  HB*) (resid   13 and name   HA)                ! 0.4568  371:2  -----  2.49, 2.78 A
assign (resid   35 and name  HB1) (resid   19 and name   HA) 3.15 1.35 1.35 ! 0.7393  372:2  Ambig  3.46, 3.89 A
    or (resid   35 and name  HB1) (resid   36 and name   HA)                ! 0.1746  372:2  -----  4.41, 4.53 A
assign (resid   31 and name  HB2) (resid   31 and name   HA) 2.65 0.85 0.85 ! 0.0000  373:2  Intra  3.02, 3.03 A
assign (resid   32 and name  HB1) (resid   32 and name   HA) 3.15 1.35 1.35 ! 0.0000  374:2  Intra  2.99, 3.01 A
assign (resid    2 and name  HG1) (resid    6 and name  HA2) 3.65 1.85 1.85 ! 0.7772  375:2  Ambig  4.04, 4.41 A
    or (resid    2 and name  HG1) (resid    7 and name   HA)                ! 0.2228  375:2  -----  4.98, 5.29 A
assign (resid   26 and name  HG1) (resid   26 and name   HA) 3.15 1.35 1.35 ! 0.8593  376:2  Intra  2.79, 3.13 A
assign (resid   26 and name  HG2) (resid   26 and name   HA) 2.65 0.85 0.85 ! 0.9187  377:2  Intra  2.40, 2.50 A
assign (resid   19 and name  HB2) (resid   19 and name   HA) 2.65 0.85 0.85 ! 0.4798  378:2  Ambig  2.99, 3.00 A
    or (resid   19 and name  HB2) (resid   24 and name   HA)                ! 0.3993  378:2  -----  3.08, 3.33 A
assign (resid   16 and name  HB1) (resid   16 and name   HA) 2.30 0.50 0.50 ! 0.0000  379:2  Intra  2.28, 2.30 A
assign (resid    7 and name  HG1) (resid    7 and name   HA) 2.65 0.85 0.85 ! 0.9667  380:2  Intra  2.49, 2.66 A
assign (resid   30 and name  HB1) (resid   30 and name   HA) 2.30 0.50 0.50 ! 0.9978  381:2  Intra  2.29, 2.31 A
assign (resid   28 and name  HB2) (resid   28 and name   HA) 2.65 0.85 0.85 ! 0.9177  382:2  Intra  3.01, 3.02 A
assign (resid   28 and name  HB1) (resid   28 and name   HA) 2.30 0.50 0.50 ! 0.8327  383:2  Intra  2.41, 2.44 A
assign (resid   26 and name  HB1) (resid   26 and name   HA) 2.65 0.85 0.85 ! 0.9665  384:2  Intra  2.44, 2.49 A
assign (resid   26 and name  HB2) (resid   26 and name   HA) 2.65 0.85 0.85 ! 0.8065  385:2  Intra  2.99, 3.01 A
assign (resid    2 and name  HB1) (resid   19 and name   HA) 3.15 1.35 1.35 ! 0.9997  386:2  Long   1.92, 2.29 A
assign (resid   16 and name  HG2) (resid   16 and name   HA) 3.15 1.35 1.35 ! 0.5469  387:2  Ambig  3.85, 3.89 A
    or (resid   34 and name  HG2) (resid   36 and name   HA)                ! 0.4531  387:2  -----  3.97, 4.49 A
assign (resid    7 and name  HB2) (resid    7 and name   HA) 2.65 0.85 0.85 ! 0.9666  389:2  Intra  2.43, 2.52 A
assign (resid   30 and name  HG2) (resid   30 and name   HA) 3.15 1.35 1.35 ! 0.0000  390:2  Intra  3.84, 3.93 A
assign (resid   30 and name  HG1) (resid   30 and name   HA) 3.15 1.35 1.35 ! 0.0000  391:2  Intra  2.82, 2.97 A
assign (resid   36 and name  HB*) (resid   36 and name   HA) 2.30 0.50 0.50 ! 0.9934  392:2  Intra  2.45, 2.76 A
assign (resid   16 and name  HB2) (resid   16 and name   HA) 2.65 0.85 0.85 ! 0.9458  393:2  Intra  2.70, 2.76 A
assign (resid   34 and name  HB2) (resid    7 and name   HA) 3.15 1.35 1.35 ! 0.9305  394:2  Long   3.57, 3.89 A
assign (resid    7 and name  HB1) (resid    7 and name   HA) 3.15 1.35 1.35 ! 0.9376  395:2  Intra  2.98, 3.02 A
assign (resid   17 and name HG2*) (resid   17 and name   HA) 2.65 0.85 0.85 ! 0.9885  397:2  Intra  2.31, 2.96 A
assign (resid   17 and name HG2*) (resid   17 and name   HB) 2.30 0.50 0.50 ! 0.0000  398:2  Intra  2.41, 2.66 A
assign (resid   24 and name HG2*) (resid   24 and name   HA) 2.65 0.85 0.85 ! 0.9983  399:2  Intra  2.36, 3.00 A
assign (resid   20 and name  HB*) (resid    3 and name   HA) 2.65 0.85 0.85 ! 0.0000  400:2  Long   2.00, 3.31 A
assign (resid   17 and name HG2*) (resid    9 and name  HA1) 3.65 1.85 1.85 ! 0.9928  401:2  Long   1.93, 3.01 A
assign (resid   20 and name  HB*) (resid   20 and name   HA) 2.30 0.50 0.50 ! 0.8545  402:2  Intra  2.33, 2.61 A
assign (resid   30 and name  HB2) (resid   30 and name   HA) 2.65 0.85 0.85 ! 0.0000  404:2  Intra  2.97, 2.98 A
assign (resid   28 and name HD1*) (resid   28 and name   HA) 3.15 1.35 1.35 ! 0.8773  405:2  Intra  4.31, 4.69 A
assign (resid   28 and name HD2*) (resid   28 and name   HA) 2.65 0.85 0.85 ! 0.9975  406:2  Intra  2.15, 2.96 A
assign (resid   36 and name HD2*) (resid   36 and name   HA) 2.30 0.50 0.50 ! 0.0000  407:2  Intra  2.05, 2.97 A
assign (resid    7 and name  HG2) (resid    7 and name   HA) 2.65 0.85 0.85 ! 0.9858  409:2  Intra  2.24, 3.02 A
assign (resid   11 and name HD1*) (resid   31 and name   HA) 3.65 1.85 1.85 ! 0.0000  410:2  Long   3.07, 4.92 A
assign (resid   27 and name HG1*) (resid   30 and name   HA) 3.65 1.85 1.85 ! 0.0000  411:2  Mid    2.99, 3.57 A
assign (resid   23 and name HG2*) (resid   23 and name   HA) 2.65 0.85 0.85 ! 0.0000  412:2  Intra  2.46, 3.09 A
assign (resid   23 and name HG2*) (resid   36 and name   HA) 3.15 1.35 1.35 ! 0.9772  413:2  Long   3.38, 4.45 A
assign (resid   23 and name HG2*) (resid   22 and name  HA1) 3.65 1.85 1.85 ! 0.0000  414:2  Seq    3.78, 4.86 A
assign (resid  101 and name   H1) (resid  101 and name  H61) 2.65 0.85 0.85 ! 0.7768  415:2  Ambig  2.03, 3.12 A
    or (resid  101 and name   H1) (resid  101 and name   H2)                ! 0.2012  415:2  -----  2.54, 2.85 A
assign (resid   14 and name   HA) (resid   14 and name  HB2) 2.30 0.50 0.50 ! 0.9885  416:2  Intra  2.50, 2.55 A
assign (resid   19 and name   HA) (resid   19 and name  HB1) 2.65 0.85 0.85 ! 0.9950  417:2  Intra  2.45, 2.48 A
assign (resid   14 and name   HA) (resid   14 and name  HB1) 2.30 0.50 0.50 ! 0.9617  418:2  Intra  2.29, 2.36 A
assign (resid   24 and name   HA) (resid   24 and name   HB) 2.30 0.50 0.50 ! 0.8943  419:2  Intra  2.49, 2.54 A
assign (resid    3 and name   HA) (resid    3 and name  HB1) 2.30 0.50 0.50 ! 0.9724  420:2  Intra  2.38, 2.41 A
assign (resid    3 and name   HA) (resid    3 and name  HB2) 2.65 0.85 0.85 ! 0.0000  421:2  Intra  3.01, 3.02 A
assign (resid   21 and name   HA) (resid   21 and name  HB*) 2.30 0.50 0.50 ! 0.9944  423:2  Intra  2.31, 2.70 A
assign (resid   15 and name  HA2) (resid   16 and name  HD2) 2.65 0.85 0.85 ! 0.0000  432:2  Seq    2.99, 3.40 A
assign (resid   33 and name  HB1) (resid   27 and name   HA) 2.65 0.85 0.85 ! 0.0000  433:2  Long   2.51, 2.84 A
assign (resid   16 and name  HD2) (resid   15 and name  HA2) 2.65 0.85 0.85 ! 0.9708  434:2  Seq    2.99, 3.40 A
assign (resid  101 and name   H5) (resid  101 and name  H62) 2.65 0.85 0.85 ! 0.9868  437:2  Intra  2.53, 2.84 A
assign (resid    5 and name  HB2) (resid    5 and name   HA) 3.15 1.35 1.35 ! 0.0000  443:2  Intra  2.98, 3.02 A
assign (resid   29 and name  HB*) (resid   30 and name  HD1) 2.30 0.50 0.50 ! 0.0000  444:2  Seq    2.71, 3.45 A
assign (resid   29 and name  HB*) (resid   30 and name  HD2) 2.30 0.50 0.50 ! 0.0000  445:2  Seq    2.11, 2.84 A
assign (resid    5 and name  HB1) (resid    5 and name   HA) 2.65 0.85 0.85 ! 0.9842  446:2  Intra  2.52, 2.57 A
assign (resid    4 and name  HB1) (resid    4 and name   HA) 2.65 0.85 0.85 ! 0.8603  447:2  Intra  3.03, 3.04 A
assign (resid   35 and name  HB2) (resid   19 and name  HB1) 3.15 1.35 1.35 ! 0.8810  448:2  Long   3.63, 3.78 A
assign (resid   35 and name  HB2) (resid    4 and name   HA) 2.30 0.50 0.50 ! 0.5139  449:2  Ambig  2.42, 2.60 A
    or (resid    4 and name  HB2) (resid    4 and name   HA)                ! 0.4593  449:2  -----  2.46, 2.52 A
assign (resid   13 and name  HB*) (resid    9 and name  HA2) 2.65 0.85 0.85 ! 0.9055  450:2  Mid    1.93, 2.95 A
assign (resid   35 and name  HB1) (resid   23 and name   HB) 3.15 1.35 1.35 ! 0.0000  451:2  Long   2.24, 2.64 A
assign (resid   35 and name  HB1) (resid   19 and name  HB1) 2.65 0.85 0.85 ! 0.0000  452:2  Long   2.12, 2.27 A
assign (resid    2 and name  HG1) (resid    6 and name  HA1) 3.15 1.35 1.35 ! 0.0000  455:2  Mid    2.34, 2.72 A
assign (resid   34 and name  HG2) (resid    5 and name   HA) 2.65 0.85 0.85 ! 0.9346  456:2  Long   2.24, 2.47 A
assign (resid   34 and name  HG1) (resid    5 and name   HA) 3.15 1.35 1.35 ! 0.0000  457:2  Long   2.22, 2.48 A
assign (resid   30 and name  HB1) (resid   30 and name  HD1) 3.65 1.85 1.85 ! 0.0000  458:2  Intra  4.06, 4.08 A
assign (resid    2 and name  HG2) (resid    6 and name  HA1) 3.15 1.35 1.35 ! 0.7746  460:2  Ambig  3.16, 3.54 A
    or (resid    2 and name  HG2) (resid    8 and name  HB2)                ! 0.1861  460:2  -----  4.01, 4.37 A
assign (resid   18 and name   HB) (resid   18 and name   HA) 2.65 0.85 0.85 ! 0.6383  461:2  Ambig  3.03, 3.04 A
    or (resid   18 and name   HB) (resid    1 and name   HA)                ! 0.3617  461:2  -----  3.33, 3.65 A
assign (resid   27 and name   HB) (resid   27 and name   HA) 2.65 0.85 0.85 ! 0.8821  462:2  Intra  3.04, 3.04 A
assign (resid   28 and name   HG) (resid   27 and name   HA) 3.65 1.85 1.85 ! 0.5863  463:2  Ambig  3.92, 4.07 A
    or (resid    2 and name  HB1) (resid    1 and name   HA)                ! 0.2116  463:2  -----  4.65, 4.92 A
    or (resid    2 and name  HB1) (resid   18 and name   HA)                ! 0.1218  463:2  -----  5.09, 5.30 A
assign (resid   30 and name  HG2) (resid   30 and name  HD1) 2.65 0.85 0.85 ! 0.0000  464:2  Intra  2.67, 2.69 A
assign (resid   30 and name  HG1) (resid   30 and name  HD1) 2.65 0.85 0.85 ! 0.0000  465:2  Intra  2.31, 2.33 A
assign (resid   30 and name  HG2) (resid   30 and name  HD2) 2.65 0.85 0.85 ! 0.0000  466:2  Intra  2.29, 2.32 A
assign (resid   30 and name  HG1) (resid   30 and name  HD2) 2.65 0.85 0.85 ! 0.9965  467:2  Intra  2.98, 2.99 A
assign (resid   16 and name  HG1) (resid   16 and name  HD1) 2.30 0.50 0.50 ! 0.7107  468:2  Ambig  2.26, 2.30 A
    or (resid   16 and name  HG2) (resid   16 and name  HD1)                ! 0.2580  468:2  -----  2.68, 2.94 A
assign (resid   16 and name  HG2) (resid   16 and name  HD2) 2.30 0.50 0.50 ! 0.7240  469:2  Ambig  2.27, 2.30 A
    or (resid   16 and name  HG1) (resid   16 and name  HD2)                ! 0.2736  469:2  -----  2.67, 2.75 A
assign (resid   16 and name  HB2) (resid    1 and name   HA) 3.65 1.85 1.85 ! 0.9425  470:2  Long   2.42, 2.97 A
assign (resid   11 and name HG11) (resid   11 and name   HA) 2.65 0.85 0.85 ! 0.9252  471:2  Intra  2.92, 3.02 A
assign (resid   16 and name  HB2) (resid   16 and name  HD1) 3.15 1.35 1.35 ! 0.6919  472:2  Ambig  3.88, 3.94 A
    or (resid   16 and name  HB2) (resid   15 and name  HA1)                ! 0.1499  472:2  -----  5.01, 5.50 A
assign (resid   16 and name  HB2) (resid   16 and name  HD2) 3.15 1.35 1.35 ! 0.7784  473:2  Ambig  3.01, 3.92 A
    or (resid    2 and name  HB2) (resid    8 and name  HB2)                ! 0.1322  473:2  -----  4.04, 4.75 A
assign (resid    1 and name HG2*) (resid    1 and name   HA) 2.30 0.50 0.50 ! 0.5470  474:2  Ambig  2.19, 2.90 A
    or (resid    1 and name HG2*) (resid    1 and name   HB)                ! 0.2956  474:2  -----  2.43, 2.66 A
assign (resid   24 and name HG2*) (resid   24 and name   HB) 2.30 0.50 0.50 ! 0.0000  475:2  Intra  2.43, 2.65 A
assign (resid    1 and name HG2*) (resid  101 and name  H61) 2.65 0.85 0.85 ! 0.7062  476:2  Ambig  2.56, 4.46 A
    or (resid   20 and name  HB*) (resid  101 and name  H61)                ! 0.0704  476:2  -----  3.77, 5.34 A
    or (resid    1 and name HG2*) (resid  101 and name   H3)                ! 0.0671  476:2  -----  3.80, 5.21 A
assign (resid    1 and name HG2*) (resid  101 and name   H5) 2.65 0.85 0.85 ! 0.9674  477:2  Long   1.94, 4.09 A
assign (resid   18 and name HG1*) (resid   18 and name   HA) 2.30 0.50 0.50 ! 0.5044  478:2  Ambig  2.50, 3.13 A
    or (resid   18 and name HG2*) (resid   18 and name   HA)                ! 0.4675  478:2  -----  2.53, 3.16 A
assign (resid   27 and name HG2*) (resid   27 and name   HA) 2.30 0.50 0.50 ! 0.0000  479:2  Intra  2.51, 3.16 A
assign (resid   11 and name HG12) (resid   11 and name   HA) 2.65 0.85 0.85 ! 0.0000  480:2  Intra  2.51, 2.55 A
assign (resid   11 and name HG2*) (resid   11 and name   HA) 2.65 0.85 0.85 ! 0.9842  481:2  Intra  2.51, 3.16 A
assign (resid   27 and name HG1*) (resid   27 and name   HA) 2.65 0.85 0.85 ! 0.0000  483:2  Intra  2.50, 3.14 A
assign (resid   11 and name HD1*) (resid   11 and name   HA) 3.15 1.35 1.35 ! 0.8978  484:2  Intra  4.39, 4.65 A
assign (resid   23 and name HG2*) (resid    4 and name   HA) 2.65 0.85 0.85 ! 0.9901  485:2  Long   2.49, 3.97 A
assign (resid   23 and name HG2*) (resid   23 and name   HB) 2.30 0.50 0.50 ! 0.0000  486:2  Intra  2.39, 2.63 A
assign (resid   23 and name HG2*) (resid   19 and name  HB1) 3.65 1.85 1.85 ! 0.6177  487:2  Ambig  4.25, 4.81 A
    or (resid   23 and name HG2*) (resid   22 and name  HA2)                ! 0.3179  487:2  -----  4.74, 5.73 A
assign (resid   25 and name   HA) (resid   25 and name  HB2) 2.65 0.85 0.85 ! 0.9759  488:2  Intra  2.43, 2.47 A
assign (resid   25 and name   HA) (resid   25 and name  HB1) 2.65 0.85 0.85 ! 0.7746  489:2  Ambig  3.01, 3.04 A
    or (resid   32 and name   HA) (resid   31 and name  HB2)                ! 0.0946  489:2  -----  4.28, 4.51 A
assign (resid   32 and name   HA) (resid   32 and name  HB2) 2.30 0.50 0.50 ! 0.4741  490:2  Ambig  2.42, 2.48 A
    or (resid   13 and name   HA) (resid   13 and name  HB*)                ! 0.4037  490:2  -----  2.49, 2.78 A
assign (resid   31 and name   HA) (resid   31 and name  HB1) 2.65 0.85 0.85 ! 0.0000  491:2  Intra  2.40, 2.45 A
assign (resid   31 and name   HA) (resid   31 and name  HB2) 2.65 0.85 0.85 ! 0.0000  492:2  Intra  3.02, 3.03 A
assign (resid   30 and name  HD1) (resid   29 and name  HB*) 2.30 0.50 0.50 ! 0.0000  493:2  Seq    2.71, 3.45 A
assign (resid    4 and name   HA) (resid   35 and name  HB1) 2.65 0.85 0.85 ! 0.6447  494:2  Ambig  2.66, 2.94 A
    or (resid    4 and name   HA) (resid    4 and name  HB1)                ! 0.2943  494:2  -----  3.03, 3.04 A
assign (resid    5 and name   HA) (resid    5 and name  HB1) 2.65 0.85 0.85 ! 0.9792  495:2  Intra  2.52, 2.57 A
assign (resid    4 and name   HA) (resid   35 and name  HB2) 2.30 0.50 0.50 ! 0.5139  496:2  Ambig  2.42, 2.60 A
    or (resid    4 and name   HA) (resid    4 and name  HB2)                ! 0.4593  496:2  -----  2.46, 2.52 A
assign (resid   30 and name  HD2) (resid   29 and name  HB*) 2.30 0.50 0.50 ! 0.0000  497:2  Seq    2.11, 2.84 A
assign (resid   23 and name   HB) (resid   35 and name  HB1) 2.65 0.85 0.85 ! 0.9966  498:2  Long   2.24, 2.64 A
assign (resid   19 and name  HB1) (resid   35 and name  HB1) 2.65 0.85 0.85 ! 0.9991  499:2  Long   2.12, 2.27 A
assign (resid   19 and name  HB1) (resid   35 and name  HB2) 3.15 1.35 1.35 ! 0.8810  501:2  Long   3.63, 3.78 A
assign (resid   23 and name   HB) (resid   35 and name  HB2) 3.15 1.35 1.35 ! 0.5462  505:2  Ambig  3.71, 4.12 A
    or (resid   23 and name   HB) (resid    4 and name  HB2)                ! 0.2309  505:2  -----  4.28, 4.51 A
    or (resid   30 and name  HD2) (resid   31 and name  HB2)                ! 0.2151  505:2  -----  4.34, 4.67 A
assign (resid    8 and name  HB2) (resid   25 and name  HB2) 3.15 1.35 1.35 ! 0.0000  506:2  Long   2.48, 2.66 A
assign (resid   23 and name HG2*) (resid   35 and name  HB1) 3.15 1.35 1.35 ! 0.6341  515:2  Ambig  3.48, 4.43 A
    or (resid   23 and name HG2*) (resid    4 and name  HB1)                ! 0.3659  515:2  -----  3.82, 4.80 A
assign (resid   23 and name HG2*) (resid    4 and name  HB2) 3.15 1.35 1.35 ! 0.9828  516:2  Long   2.16, 3.21 A
assign (resid   32 and name   HA) (resid   32 and name  HB1) 3.15 1.35 1.35 ! 0.9923  517:2  Intra  2.99, 3.01 A
assign (resid   26 and name   HA) (resid   26 and name  HG1) 3.15 1.35 1.35 ! 0.8593  518:2  Intra  2.79, 3.13 A
assign (resid   19 and name   HA) (resid   19 and name  HB2) 2.65 0.85 0.85 ! 0.8637  519:2  Intra  2.99, 3.00 A
assign (resid   26 and name   HA) (resid   26 and name  HG2) 2.65 0.85 0.85 ! 0.9351  520:2  Intra  2.40, 2.50 A
assign (resid   26 and name   HA) (resid   26 and name  HB1) 2.30 0.50 0.50 ! 0.9577  521:2  Intra  2.44, 2.49 A
assign (resid   16 and name   HA) (resid   16 and name  HB1) 2.30 0.50 0.50 ! 0.0000  522:2  Intra  2.28, 2.30 A
assign (resid    7 and name   HA) (resid    7 and name  HG1) 2.65 0.85 0.85 ! 0.9116  524:2  Intra  2.49, 2.66 A
assign (resid   24 and name   HA) (resid   19 and name  HB2) 2.65 0.85 0.85 ! 0.8982  525:2  Long   3.08, 3.33 A
assign (resid   30 and name   HA) (resid   30 and name  HB1) 2.30 0.50 0.50 ! 0.9968  526:2  Intra  2.29, 2.31 A
assign (resid   30 and name   HA) (resid   30 and name  HG2) 3.15 1.35 1.35 ! 0.0000  527:2  Intra  3.84, 3.93 A
assign (resid    7 and name   HA) (resid    7 and name  HB2) 2.30 0.50 0.50 ! 0.9413  529:2  Intra  2.43, 2.52 A
assign (resid    5 and name   HA) (resid   34 and name  HG1) 3.15 1.35 1.35 ! 0.0000  530:2  Long   2.22, 2.48 A
assign (resid   30 and name  HD1) (resid   30 and name  HG2) 2.65 0.85 0.85 ! 0.0000  531:2  Intra  2.67, 2.69 A
assign (resid   16 and name  HD2) (resid   16 and name  HB1) 3.15 1.35 1.35 ! 0.0000  532:2  Intra  3.87, 3.90 A
assign (resid   16 and name  HD1) (resid   16 and name  HG1) 2.30 0.50 0.50 ! 0.7337  534:2  Ambig  2.26, 2.30 A
    or (resid   16 and name  HD1) (resid   16 and name  HG2)                ! 0.2663  534:2  -----  2.68, 2.94 A
assign (resid    8 and name  HB2) (resid   25 and name  HB1) 3.15 1.35 1.35 ! 0.9169  535:2  Long   3.88, 4.02 A
assign (resid    6 and name  HA1) (resid    2 and name  HG1) 2.65 0.85 0.85 ! 0.0000  536:2  Mid    2.34, 2.72 A
assign (resid    6 and name  HA1) (resid    2 and name  HG2) 3.15 1.35 1.35 ! 0.9900  537:2  Mid    3.16, 3.54 A
assign (resid   29 and name  HB*) (resid   30 and name  HG2) 3.65 1.85 1.85 ! 0.0000  538:2  Seq    4.41, 5.10 A
assign (resid   35 and name  HB1) (resid   19 and name  HB2) 3.15 1.35 1.35 ! 0.8662  540:2  Long   3.53, 3.75 A
assign (resid   26 and name  HG2) (resid   26 and name  HB1) 2.30 0.50 0.50 ! 0.6061  544:2  Ambig  2.44, 2.51 A
    or (resid   30 and name  HB1) (resid   30 and name  HG2)                ! 0.3882  544:2  -----  2.63, 2.65 A
assign (resid    2 and name  HB1) (resid    2 and name  HG1) 2.65 0.85 0.85 ! 0.9739  545:2  Intra  2.41, 2.45 A
assign (resid   26 and name  HB2) (resid   26 and name  HG2) 2.65 0.85 0.85 ! 0.9920  546:2  Intra  2.46, 2.98 A
assign (resid    2 and name  HB1) (resid    2 and name  HG2) 2.65 0.85 0.85 ! 0.9855  547:2  Intra  2.35, 2.41 A
assign (resid   26 and name  HB1) (resid   26 and name  HG2) 2.30 0.50 0.50 ! 0.6061  548:2  Ambig  2.44, 2.51 A
    or (resid   30 and name  HG2) (resid   30 and name  HB1)                ! 0.3882  548:2  -----  2.63, 2.65 A
assign (resid    2 and name  HB2) (resid    2 and name  HG1) 2.65 0.85 0.85 ! 0.9173  550:2  Intra  3.00, 3.01 A
assign (resid    2 and name  HB2) (resid    2 and name  HG2) 2.65 0.85 0.85 ! 0.9466  551:2  Intra  2.40, 2.45 A
assign (resid   34 and name  HB2) (resid   34 and name  HG1) 2.30 0.50 0.50 ! 0.9798  552:2  Intra  2.44, 2.49 A
assign (resid   11 and name HD1*) (resid   30 and name  HB1) 3.15 1.35 1.35 ! 0.0000  556:2  Long   2.25, 3.57 A
assign (resid   26 and name   HA) (resid   26 and name  HB2) 2.65 0.85 0.85 ! 0.7748  557:2  Ambig  2.99, 3.01 A
    or (resid   25 and name   HA) (resid   26 and name  HB2)                ! 0.0776  557:2  -----  4.39, 4.59 A
assign (resid   19 and name   HA) (resid    2 and name  HB1) 2.65 0.85 0.85 ! 0.0000  558:2  Long   1.92, 2.29 A
assign (resid   19 and name   HA) (resid    2 and name  HB2) 3.15 1.35 1.35 ! 0.9124  559:2  Long   3.34, 3.72 A
assign (resid   25 and name   HA) (resid   36 and name  HB*) 3.65 1.85 1.85 ! 0.4613  560:2  Ambig  4.72, 6.19 A
    or (resid   26 and name   HA) (resid   36 and name  HB*)                ! 0.2678  560:2  -----  5.17, 6.26 A
    or (resid   32 and name   HA) (resid   34 and name  HB2)                ! 0.1591  560:2  -----  5.64, 5.81 A
assign (resid   16 and name   HA) (resid   16 and name  HG1) 2.65 0.85 0.85 ! 0.7336  561:2  Ambig  3.14, 3.92 A
    or (resid   16 and name   HA) (resid   16 and name  HG2)                ! 0.2141  561:2  -----  3.85, 3.89 A
assign (resid   36 and name   HA) (resid   26 and name  HB2) 4.15 2.35 2.35 ! 0.7941  563:2  Ambig  5.34, 5.69 A
    or (resid   24 and name   HA) (resid   26 and name  HB2)                ! 0.2059  563:2  -----  6.68, 7.03 A
assign (resid   30 and name   HA) (resid   30 and name  HG1) 2.65 0.85 0.85 ! 0.9779  564:2  Intra  2.82, 2.97 A
assign (resid   16 and name   HA) (resid   16 and name  HB2) 2.65 0.85 0.85 ! 0.9458  565:2  Intra  2.70, 2.76 A
assign (resid    7 and name   HA) (resid    7 and name  HB1) 2.65 0.85 0.85 ! 0.9418  566:2  Intra  2.98, 3.02 A
assign (resid   36 and name   HA) (resid   36 and name  HB*) 2.30 0.50 0.50 ! 0.9934  567:2  Intra  2.45, 2.76 A
assign (resid    5 and name   HA) (resid   34 and name  HG2) 2.65 0.85 0.85 ! 0.9738  571:2  Long   2.24, 2.47 A
assign (resid    5 and name   HA) (resid   34 and name  HG2) 2.65 0.85 0.85 ! 0.7800  572:2  Ambig  2.24, 2.47 A
    or (resid   18 and name   HA) (resid   18 and name   HB)                ! 0.1289  572:2  -----  3.03, 3.04 A
assign (resid   30 and name  HD1) (resid   30 and name  HG1) 2.65 0.85 0.85 ! 0.9965  573:2  Intra  2.31, 2.33 A
assign (resid   27 and name   HA) (resid   28 and name   HG) 3.15 1.35 1.35 ! 0.5863  574:2  Ambig  3.92, 4.07 A
    or (resid    1 and name   HA) (resid    2 and name  HB1)                ! 0.2116  574:2  -----  4.65, 4.92 A
    or (resid   18 and name   HA) (resid    2 and name  HB1)                ! 0.1218  574:2  -----  5.09, 5.30 A
assign (resid    1 and name   HA) (resid   16 and name  HB2) 3.15 1.35 1.35 ! 0.9490  575:2  Long   2.42, 2.97 A
assign (resid   15 and name  HA1) (resid   16 and name  HG2) 3.15 1.35 1.35 ! 0.6053  576:2  Ambig  4.14, 4.28 A
    or (resid   15 and name  HA1) (resid   16 and name  HG1)                ! 0.3947  576:2  -----  4.45, 4.56 A
assign (resid   16 and name  HD2) (resid   16 and name  HG2) 2.30 0.50 0.50 ! 0.7233  577:2  Ambig  2.27, 2.30 A
    or (resid   16 and name  HD2) (resid   16 and name  HG1)                ! 0.2734  577:2  -----  2.67, 2.75 A
assign (resid   30 and name  HD2) (resid   30 and name  HG1) 3.15 1.35 1.35 ! 0.9926  578:2  Intra  2.98, 2.99 A
assign (resid   16 and name  HD1) (resid   16 and name  HB2) 3.15 1.35 1.35 ! 0.8620  579:2  Intra  3.88, 3.94 A
assign (resid   16 and name  HD2) (resid   16 and name  HB2) 3.65 1.85 1.85 ! 0.7622  580:2  Ambig  3.01, 3.92 A
    or (resid    8 and name  HB2) (resid    2 and name  HB2)                ! 0.1294  580:2  -----  4.04, 4.75 A
assign (resid   15 and name  HA1) (resid   16 and name  HB2) 3.65 1.85 1.85 ! 0.4418  581:2  Ambig  5.01, 5.50 A
    or (resid   19 and name  HB1) (resid    2 and name  HB2)                ! 0.2553  581:2  -----  5.49, 5.86 A
    or (resid   15 and name  HA1) (resid    2 and name  HB2)                ! 0.1398  581:2  -----  6.07, 6.59 A
assign (resid   11 and name   HA) (resid   11 and name HG11) 2.65 0.85 0.85 ! 0.0000  582:2  Intra  2.92, 3.02 A
assign (resid   29 and name  HB*) (resid   28 and name  HB2) 3.65 1.85 1.85 ! 0.7688  583:2  Ambig  3.88, 4.66 A
    or (resid   29 and name  HB*) (resid   30 and name  HG1)                ! 0.2165  583:2  -----  4.79, 5.34 A
assign (resid   32 and name  HB1) (resid   28 and name  HB2) 3.65 1.85 1.85 ! 0.9871  584:2  Mid    3.03, 3.35 A
assign (resid    2 and name  HG1) (resid    2 and name  HB1) 2.65 0.85 0.85 ! 0.0000  585:2  Intra  2.41, 2.45 A
assign (resid    2 and name  HG1) (resid    2 and name  HB2) 2.65 0.85 0.85 ! 0.9025  586:2  Intra  3.00, 3.01 A
assign (resid   16 and name  HB1) (resid   16 and name  HG1) 2.30 0.50 0.50 ! 0.7128  587:2  Ambig  2.29, 2.31 A
    or (resid   16 and name  HB1) (resid   16 and name  HG2)                ! 0.2759  587:2  -----  2.69, 2.95 A
assign (resid   30 and name  HB1) (resid   30 and name  HG1) 2.30 0.50 0.50 ! 0.5900  588:2  Ambig  2.31, 2.33 A
    or (resid   26 and name  HG2) (resid   26 and name  HB2)                ! 0.4050  588:2  -----  2.46, 2.98 A
assign (resid    2 and name  HG2) (resid    2 and name  HB1) 2.65 0.85 0.85 ! 0.9819  589:2  Intra  2.35, 2.41 A
assign (resid    2 and name  HG2) (resid    2 and name  HB2) 2.30 0.50 0.50 ! 0.9288  591:2  Intra  2.40, 2.45 A
assign (resid   34 and name  HG1) (resid   34 and name  HB2) 2.30 0.50 0.50 ! 0.9798  592:2  Intra  2.44, 2.49 A
assign (resid   34 and name  HG2) (resid   34 and name  HB2) 2.65 0.85 0.85 ! 0.9709  594:2  Intra  2.56, 2.97 A
assign (resid   28 and name HD2*) (resid   26 and name  HB1) 2.65 0.85 0.85 ! 0.5876  599:2  Ambig  2.70, 3.80 A
    or (resid   36 and name HD1*) (resid   26 and name  HB1)                ! 0.2085  599:2  -----  3.21, 4.66 A
    or (resid   36 and name HD1*) (resid   34 and name  HG2)                ! 0.1641  599:2  -----  3.34, 4.39 A
assign (resid   18 and name HG2*) (resid   18 and name   HB) 2.30 0.50 0.50 ! 0.5062  600:2  Ambig  2.42, 2.63 A
    or (resid   18 and name HG1*) (resid   18 and name   HB)                ! 0.4938  600:2  -----  2.43, 2.64 A
assign (resid   28 and name HD1*) (resid   34 and name  HB1) 2.65 0.85 0.85 ! 0.7226  601:2  Ambig  2.08, 3.14 A
    or (resid   28 and name HD1*) (resid   28 and name  HB2)                ! 0.2680  601:2  -----  2.45, 3.08 A
assign (resid   28 and name HD2*) (resid   28 and name   HG) 2.65 0.85 0.85 ! 0.5314  602:2  Ambig  2.40, 2.62 A
    or (resid   28 and name HD2*) (resid   28 and name  HB1)                ! 0.4373  602:2  -----  2.48, 3.14 A
assign (resid   36 and name HD1*) (resid   26 and name  HB2) 2.30 0.50 0.50 ! 0.4684  603:2  Ambig  2.11, 3.68 A
    or (resid   27 and name HG2*) (resid   27 and name   HB)                ! 0.2033  603:2  -----  2.42, 2.63 A
    or (resid   36 and name HD1*) (resid   34 and name  HB1)                ! 0.1108  603:2  -----  2.68, 3.99 A
    or (resid   28 and name HD2*) (resid   26 and name  HB2)                ! 0.1073  603:2  -----  2.70, 3.90 A
assign (resid   28 and name HD1*) (resid   28 and name   HG) 2.65 0.85 0.85 ! 0.5082  604:2  Ambig  2.39, 2.62 A
    or (resid   28 and name HD1*) (resid   28 and name  HB1)                ! 0.4909  604:2  -----  2.41, 3.05 A
assign (resid   28 and name HD1*) (resid   34 and name  HB2) 2.65 0.85 0.85 ! 0.9249  605:2  Long   2.68, 3.48 A
assign (resid   36 and name HD1*) (resid   36 and name  HB*) 2.30 0.50 0.50 ! 0.9106  606:2  Intra  2.39, 3.07 A
assign (resid   27 and name HG1*) (resid   27 and name   HB) 2.30 0.50 0.50 ! 0.9761  609:2  Intra  2.41, 2.63 A
assign (resid   11 and name HD1*) (resid   11 and name HG11) 2.30 0.50 0.50 ! 0.0000  610:2  Intra  2.42, 2.63 A
assign (resid  101 and name   H1) (resid   20 and name  HB1) 2.65 0.85 0.85 ! 0.8450  611:2  Ambig  2.31, 4.22 A
    or (resid  101 and name   H1) (resid    1 and name HG21)                ! 0.0000  611:2  -----  0.00, 0.00 A
assign (resid   17 and name   HB) (resid   17 and name HG2*) 2.30 0.50 0.50 ! 0.9782  612:2  Intra  2.41, 2.66 A
assign (resid   26 and name   HA) (resid   27 and name HG2*) 2.65 0.85 0.85 ! 0.7125  613:2  Ambig  3.51, 4.61 A
    or (resid   26 and name   HA) (resid   28 and name HD2*)                ! 0.1420  613:2  -----  4.59, 5.86 A
assign (resid    3 and name   HA) (resid   20 and name  HB*) 2.30 0.50 0.50 ! 0.0000  614:2  Long   2.00, 3.31 A
assign (resid   20 and name   HA) (resid   20 and name  HB*) 2.30 0.50 0.50 ! 0.8558  615:2  Intra  2.33, 2.61 A
assign (resid   14 and name   HA) (resid   17 and name HG2*) 2.65 0.85 0.85 ! 0.6277  616:2  Ambig  2.71, 4.23 A
    or (resid   36 and name   HA) (resid   36 and name   HG)                ! 0.3676  616:2  -----  2.96, 3.08 A
assign (resid    9 and name  HA1) (resid   17 and name HG2*) 2.65 0.85 0.85 ! 0.0000  617:2  Long   1.93, 3.01 A
assign (resid   21 and name   HA) (resid   20 and name  HB*) 3.15 1.35 1.35 ! 0.8837  618:2  Seq    4.48, 5.31 A
assign (resid   31 and name   HA) (resid   11 and name   HB) 2.65 0.85 0.85 ! 0.9683  619:2  Long   2.26, 2.63 A
assign (resid   30 and name   HA) (resid   30 and name  HB2) 2.65 0.85 0.85 ! 0.9419  620:2  Intra  2.97, 2.98 A
assign (resid   24 and name   HA) (resid   24 and name HG2*) 2.65 0.85 0.85 ! 0.9983  623:2  Intra  2.36, 3.00 A
assign (resid    7 and name   HA) (resid    7 and name  HG2) 2.65 0.85 0.85 ! 0.9954  624:2  Intra  2.24, 3.02 A
assign (resid   36 and name   HA) (resid   36 and name HD2*) 2.30 0.50 0.50 ! 0.9978  625:2  Intra  2.05, 2.97 A
assign (resid   31 and name   HA) (resid   11 and name HG2*) 3.15 1.35 1.35 ! 0.0000  627:2  Long   4.45, 5.09 A
assign (resid   12 and name  HA1) (resid   11 and name HG2*) 2.65 0.85 0.85 ! 0.6451  628:2  Ambig  3.50, 4.71 A
    or (resid   10 and name  HA2) (resid   27 and name HG2*)                ! 0.3391  628:2  -----  3.90, 5.47 A
assign (resid   30 and name   HA) (resid   27 and name HG1*) 3.15 1.35 1.35 ! 0.0000  630:2  Mid    2.99, 3.57 A
assign (resid    4 and name   HA) (resid   20 and name  HB*) 3.15 1.35 1.35 ! 0.5833  631:2  Ambig  3.75, 4.93 A
    or (resid    3 and name  HB1) (resid   20 and name  HB*)                ! 0.3465  631:2  -----  4.09, 5.22 A
assign (resid    1 and name   HB) (resid    1 and name HG2*) 2.30 0.50 0.50 ! 0.7006  632:2  Ambig  2.43, 2.66 A
    or (resid    1 and name   HB) (resid   20 and name  HB*)                ! 0.2994  632:2  -----  2.79, 5.48 A
assign (resid    1 and name   HA) (resid    1 and name HG2*) 2.30 0.50 0.50 ! 0.9463  633:2  Intra  2.19, 2.90 A
assign (resid   30 and name  HD1) (resid   30 and name  HB2) 3.65 1.85 1.85 ! 0.9825  634:2  Intra  3.83, 3.86 A
assign (resid  101 and name  H62) (resid    1 and name HG2*) 3.15 1.35 1.35 ! 0.5235  635:2  Ambig  3.48, 5.53 A
    or (resid  101 and name  H62) (resid   20 and name  HB*)                ! 0.4765  635:2  -----  3.54, 5.41 A
assign (resid    9 and name  HA2) (resid   17 and name HG2*) 3.15 1.35 1.35 ! 0.9445  636:2  Long   2.39, 3.74 A
assign (resid   24 and name   HB) (resid   24 and name HG2*) 2.30 0.50 0.50 ! 0.0000  638:2  Intra  2.43, 2.65 A
assign (resid    1 and name   HB) (resid   18 and name HG1*) 3.15 1.35 1.35 ! 0.9616  639:2  Long   2.92, 4.48 A
assign (resid   18 and name   HA) (resid   18 and name HG1*) 2.30 0.50 0.50 ! 0.4960  640:2  Ambig  2.50, 3.13 A
    or (resid   18 and name   HA) (resid   18 and name HG2*)                ! 0.4597  640:2  -----  2.53, 3.16 A
assign (resid   12 and name  HA2) (resid   11 and name HG2*) 3.15 1.35 1.35 ! 0.0000  641:2  Seq    3.71, 4.71 A
assign (resid   27 and name   HA) (resid   27 and name HG2*) 2.30 0.50 0.50 ! 0.9495  642:2  Intra  2.51, 3.16 A
assign (resid   27 and name   HA) (resid   27 and name HG1*) 2.65 0.85 0.85 ! 0.0000  644:2  Intra  2.50, 3.14 A
assign (resid  101 and name  H61) (resid    1 and name HG2*) 3.15 1.35 1.35 ! 0.8124  645:2  Long   2.56, 4.46 A
assign (resid  101 and name   H5) (resid    1 and name HG2*) 2.65 0.85 0.85 ! 0.9740  646:2  Long   1.94, 4.09 A
assign (resid  101 and name   H4) (resid    1 and name HG21) 3.15 1.35 1.35 ! 0.9337  647:2  Ambig  3.00, 5.06 A
    or (resid  101 and name   H4) (resid   20 and name  HB1)                ! 0.0000  647:2  -----  0.00, 0.00 A
assign (resid    8 and name  HB2) (resid   17 and name HG2*) 3.65 1.85 1.85 ! 0.7679  648:2  Ambig  4.21, 5.33 A
    or (resid   16 and name  HD2) (resid   17 and name HG2*)                ! 0.2321  648:2  -----  5.14, 6.36 A
assign (resid  101 and name  H61) (resid    1 and name HG2*) 2.65 0.85 0.85 ! 0.6349  649:2  Ambig  2.56, 4.46 A
    or (resid   11 and name   HA) (resid   11 and name   HB)                ! 0.2325  649:2  -----  3.03, 3.04 A
assign (resid   30 and name  HD2) (resid   30 and name  HB2) 3.15 1.35 1.35 ! 0.9918  650:2  Intra  2.83, 2.89 A
assign (resid   11 and name   HA) (resid   11 and name HG12) 2.65 0.85 0.85 ! 0.0000  651:2  Intra  2.51, 2.55 A
assign (resid   11 and name   HA) (resid   11 and name HG2*) 2.30 0.50 0.50 ! 0.0000  652:2  Intra  2.51, 3.16 A
assign (resid   33 and name  HB1) (resid   27 and name HG2*) 3.65 1.85 1.85 ! 0.9926  653:2  Long   2.73, 4.01 A
assign (resid   34 and name  HG1) (resid   36 and name HD2*) 3.15 1.35 1.35 ! 0.8754  656:2  Mid    2.92, 5.06 A
assign (resid   18 and name   HB) (resid    1 and name HG2*) 2.65 0.85 0.85 ! 0.9996  657:2  Long   1.90, 2.90 A
assign (resid   30 and name  HG2) (resid   30 and name  HB2) 2.65 0.85 0.85 ! 0.9974  658:2  Intra  2.32, 2.34 A
assign (resid    7 and name  HB2) (resid    7 and name  HG2) 2.65 0.85 0.85 ! 0.9807  659:2  Intra  2.57, 2.97 A
assign (resid   34 and name  HB1) (resid   28 and name HD1*) 2.65 0.85 0.85 ! 0.7009  660:2  Ambig  2.08, 3.14 A
    or (resid   28 and name  HB2) (resid   28 and name HD1*)                ! 0.2599  660:2  -----  2.45, 3.08 A
assign (resid   28 and name   HG) (resid   28 and name HD1*) 2.65 0.85 0.85 ! 0.5070  661:2  Ambig  2.39, 2.62 A
    or (resid   28 and name  HB1) (resid   28 and name HD1*)                ! 0.4897  661:2  -----  2.41, 3.05 A
assign (resid   18 and name   HB) (resid   18 and name HG2*) 2.30 0.50 0.50 ! 0.5062  662:2  Ambig  2.42, 2.63 A
    or (resid   18 and name   HB) (resid   18 and name HG1*)                ! 0.4938  662:2  -----  2.43, 2.64 A
assign (resid   28 and name   HG) (resid   28 and name HD2*) 2.65 0.85 0.85 ! 0.5284  663:2  Ambig  2.40, 2.62 A
    or (resid   28 and name  HB1) (resid   28 and name HD2*)                ! 0.4349  663:2  -----  2.48, 3.14 A
assign (resid   26 and name  HB2) (resid   36 and name HD1*) 2.30 0.50 0.50 ! 0.5856  665:2  Ambig  2.11, 3.68 A
    or (resid   27 and name   HB) (resid   27 and name HG2*)                ! 0.2541  665:2  -----  2.42, 2.63 A
assign (resid   27 and name   HB) (resid   27 and name HG1*) 2.30 0.50 0.50 ! 0.9897  666:2  Intra  2.41, 2.63 A
assign (resid   36 and name  HB*) (resid   36 and name   HG) 2.30 0.50 0.50 ! 0.9621  667:2  Intra  2.45, 2.76 A
assign (resid    7 and name  HB1) (resid    7 and name  HG2) 3.15 1.35 1.35 ! 0.0000  668:2  Intra  2.40, 2.49 A
assign (resid   36 and name  HB*) (resid   36 and name HD1*) 2.30 0.50 0.50 ! 0.9106  670:2  Intra  2.39, 3.07 A
assign (resid   11 and name HD1*) (resid   11 and name   HB) 2.65 0.85 0.85 ! 0.5019  671:2  Ambig  2.55, 3.16 A
    or (resid   11 and name HD1*) (resid   30 and name  HB2)                ! 0.4981  671:2  -----  2.55, 4.14 A
assign (resid   11 and name HD1*) (resid   11 and name HG2*) 2.30 0.50 0.50 ! 0.0000  673:2  Intra  2.01, 3.65 A
assign (resid   30 and name   HA) (resid   11 and name HD1*) 3.65 1.85 1.85 ! 0.0000  674:2  Long   3.35, 4.58 A
assign (resid   31 and name   HA) (resid   11 and name HD1*) 3.65 1.85 1.85 ! 0.0000  675:2  Long   3.07, 4.92 A
assign (resid   36 and name   HA) (resid   23 and name HG2*) 3.15 1.35 1.35 ! 0.9772  676:2  Long   3.38, 4.45 A
assign (resid   22 and name  HA1) (resid   23 and name HG2*) 3.15 1.35 1.35 ! 0.0000  677:2  Seq    3.78, 4.86 A
assign (resid    4 and name   HA) (resid   23 and name HG2*) 2.65 0.85 0.85 ! 0.9901  678:2  Long   2.49, 3.97 A
assign (resid   11 and name   HA) (resid   11 and name HD1*) 3.15 1.35 1.35 ! 0.0000  679:2  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  680:2  Intra  2.39, 2.63 A
assign (resid   19 and name  HB1) (resid   23 and name HG2*) 3.15 1.35 1.35 ! 0.0000  681:2  Mid    4.25, 4.81 A
assign (resid   35 and name  HB1) (resid   23 and name HG2*) 2.65 0.85 0.85 ! 0.0000  682:2  Long   3.48, 4.43 A
assign (resid    4 and name  HB2) (resid   23 and name HG2*) 2.65 0.85 0.85 ! 0.9828  683:2  Long   2.16, 3.21 A
assign (resid   30 and name  HB1) (resid   11 and name HD1*) 3.15 1.35 1.35 ! 0.0000  684:2  Long   2.25, 3.57 A
assign (resid   11 and name HG11) (resid   11 and name HD1*) 2.30 0.50 0.50 ! 0.0000  685:2  Intra  2.42, 2.63 A
assign (resid   34 and name   HN) (resid   28 and name   HN) 3.15 1.35 1.35 ! 0.8261  686:2  Long   3.16, 3.44 A
assign (resid   36 and name   HN) (resid   35 and name   HN) 3.65 1.85 1.85 ! 0.5042  687:2  Ambig  4.26, 4.33 A
    or (resid   34 and name   HN) (resid   35 and name   HN)                ! 0.4714  687:2  -----  4.31, 4.36 A
assign (resid   28 and name   HN) (resid   34 and name   HN) 3.15 1.35 1.35 ! 0.7545  688:2  Ambig  3.16, 3.44 A
    or (resid   27 and name   HN) (resid   26 and name   HN)                ! 0.1340  688:2  -----  4.21, 4.32 A
assign (resid   35 and name   HN) (resid   36 and name   HN) 3.65 1.85 1.85 ! 0.3789  689:2  Ambig  4.26, 4.33 A
    or (resid   35 and name   HN) (resid   34 and name   HN)                ! 0.3543  689:2  -----  4.31, 4.36 A
    or (resid   35 and name   HN) (resid   26 and name   HN)                ! 0.2668  689:2  -----  4.52, 4.67 A
assign (resid   31 and name   HN) (resid   31 and name  HB1) 3.65 1.85 1.85 ! 0.0000  690:2  Intra  3.64, 3.69 A
assign (resid   24 and name   HN) (resid   36 and name  HB*) 3.65 1.85 1.85 ! 0.0000  691:2  Long   3.99, 4.61 A
assign (resid    8 and name   HN) (resid    7 and name  HG2) 3.65 1.85 1.85 ! 0.0000  692:2  Seq    3.15, 3.46 A
assign (resid   32 and name   HN) (resid   31 and name  HB1) 3.65 1.85 1.85 ! 0.8814  693:2  Seq    3.89, 4.01 A
assign (resid   31 and name  HD*) (resid   30 and name  HD1) 3.65 1.85 1.85 ! 0.8723  694:2  Seq    4.58, 6.75 A
assign (resid   26 and name HE21) (resid   26 and name  HG2) 3.65 1.85 1.85 ! 0.8559  695:2  Intra  2.87, 2.99 A
assign (resid   31 and name  HD*) (resid   30 and name  HG2) 3.65 1.85 1.85 ! 0.6148  696:2  Ambig  3.70, 5.63 A
    or (resid   26 and name HE21) (resid   26 and name  HB1)                ! 0.3852  696:2  -----  4.00, 4.33 A
assign (resid    9 and name   HN) (resid    7 and name  HB1) 3.65 1.85 1.85 ! 0.9004  697:2  Mid    3.51, 5.37 A
assign (resid   34 and name HE22) (resid   34 and name  HG2) 3.65 1.85 1.85 ! 0.6429  698:2  Ambig  3.42, 3.90 A
    or (resid   33 and name   HN) (resid    7 and name  HB2)                ! 0.1754  698:2  -----  4.25, 4.60 A
assign (resid   31 and name  HD*) (resid   11 and name HG11) 3.65 1.85 1.85 ! 0.0000  699:2  Long   4.39, 5.57 A
assign (resid   35 and name   HA) (resid   23 and name HG2*) 3.65 1.85 1.85 ! 0.0000  700:2  Long   5.36, 6.03 A
assign (resid   35 and name   HA) (resid   19 and name  HB2) 3.65 1.85 1.85 ! 0.5012  701:2  Ambig  4.12, 4.40 A
    or (resid   35 and name   HA) (resid   26 and name  HG2)                ! 0.4038  701:2  -----  4.27, 6.07 A
assign (resid   35 and name   HA) (resid   19 and name  HB1) 3.65 1.85 1.85 ! 0.0000  702:2  Long   3.63, 3.78 A
assign (resid   15 and name   HN) (resid    9 and name  HA2) 3.65 1.85 1.85 ! 0.3455  703:2  Ambig  4.09, 4.74 A
    or (resid   15 and name   HN) (resid   14 and name  HB2)                ! 0.3040  703:2  -----  4.18, 4.34 A
    or (resid    8 and name   HA) (resid    9 and name  HA2)                ! 0.1917  703:2  -----  4.52, 4.61 A
assign (resid    8 and name   HA) (resid    7 and name   HA) 3.65 1.85 1.85 ! 0.5275  704:2  Ambig  4.26, 4.35 A
    or (resid   33 and name   HA) (resid   10 and name  HA2)                ! 0.2327  704:2  -----  4.89, 5.05 A
    or (resid   33 and name   HA) (resid    7 and name   HA)                ! 0.1560  704:2  -----  5.23, 5.32 A
assign (resid   31 and name   HA) (resid   31 and name   HN) 3.15 1.35 1.35 ! 0.9958  705:2  Intra  2.91, 2.92 A
assign (resid   21 and name   HA) (resid   21 and name   HN) 3.65 1.85 1.85 ! 0.7932  706:2  Ambig  2.71, 2.76 A
    or (resid   30 and name   HA) (resid   31 and name   HN)                ! 0.1714  706:2  -----  3.49, 3.55 A
assign (resid   31 and name   HA) (resid   11 and name   HN) 3.65 1.85 1.85 ! 0.0000  707:2  Long   1.92, 2.11 A
assign (resid   10 and name  HA1) (resid   32 and name   HN) 3.65 1.85 1.85 ! 0.3516  708:2  Ambig  4.15, 4.43 A
    or (resid    9 and name  HA2) (resid   13 and name   HN)                ! 0.3425  708:2  -----  4.17, 4.48 A
    or (resid   10 and name  HA1) (resid   13 and name   HN)                ! 0.3058  708:2  -----  4.25, 4.48 A
assign (resid   10 and name  HA1) (resid   11 and name   HN) 3.65 1.85 1.85 ! 0.9623  709:2  Seq    2.52, 2.67 A
assign (resid   30 and name  HD1) (resid   29 and name   HN) 3.65 1.85 1.85 ! 0.0000  710:2  Seq    4.67, 4.75 A
assign (resid   31 and name  HB1) (resid   31 and name   HN) 3.65 1.85 1.85 ! 0.0000  711:2  Intra  3.64, 3.69 A
assign (resid   31 and name  HB1) (resid   32 and name   HN) 3.65 1.85 1.85 ! 0.8814  712:2  Seq    3.89, 4.01 A
assign (resid   30 and name  HD2) (resid   29 and name   HN) 3.65 1.85 1.85 ! 0.6713  713:2  Ambig  5.05, 5.09 A
    or (resid   23 and name   HB) (resid   21 and name   HN)                ! 0.1301  713:2  -----  6.64, 6.88 A
assign (resid   23 and name   HB) (resid   23 and name   HN) 3.65 1.85 1.85 ! 0.0000  714:2  Intra  3.77, 3.82 A
assign (resid   23 and name   HB) (resid    4 and name  HD2) 3.65 1.85 1.85 ! 0.9964  715:2  Long   2.59, 3.08 A
assign (resid   30 and name  HD2) (resid   31 and name  HD*) 3.65 1.85 1.85 ! 0.9252  716:2  Seq    2.83, 5.17 A
assign (resid    9 and name  HA2) (resid   13 and name  HD*) 3.15 1.35 1.35 ! 0.9947  717:2  Mid    2.02, 3.64 A
assign (resid    9 and name  HA1) (resid    9 and name   HN) 3.15 1.35 1.35 ! 0.9905  718:2  Intra  2.71, 2.77 A
assign (resid    5 and name   HA) (resid    5 and name  HB2) 2.65 0.85 0.85 ! 0.0000  719:2  Intra  2.98, 3.02 A
assign (resid    9 and name  HA2) (resid   13 and name  HB*) 2.65 0.85 0.85 ! 0.9080  720:2  Mid    1.93, 2.95 A
assign (resid    9 and name  HA1) (resid   13 and name  HB*) 3.15 1.35 1.35 ! 0.8170  721:2  Mid    3.09, 4.53 A
assign (resid   10 and name  HA2) (resid   33 and name  HB2) 3.15 1.35 1.35 ! 0.7194  722:2  Ambig  2.96, 3.19 A
    or (resid    7 and name   HA) (resid   33 and name  HB2)                ! 0.0772  722:2  -----  4.29, 4.57 A
    or (resid   10 and name  HA2) (resid   13 and name  HB*)                ! 0.0702  722:2  -----  4.36, 4.92 A
assign (resid    6 and name  HA2) (resid    2 and name  HG1) 3.15 1.35 1.35 ! 0.7504  723:2  Ambig  4.04, 4.41 A
    or (resid    7 and name   HA) (resid    2 and name  HG1)                ! 0.2151  723:2  -----  4.98, 5.29 A
assign (resid   33 and name  HB1) (resid   10 and name  HA1) 3.15 1.35 1.35 ! 0.7370  724:2  Ambig  4.49, 4.82 A
    or (resid   33 and name  HB1) (resid    9 and name  HA2)                ! 0.2630  724:2  -----  5.33, 5.62 A
assign (resid   32 and name  HB2) (resid   28 and name  HB2) 3.65 1.85 1.85 ! 0.5811  725:2  Ambig  4.75, 5.05 A
    or (resid   33 and name  HB2) (resid   34 and name  HB1)                ! 0.1121  725:2  -----  6.24, 6.36 A
    or (resid   33 and name  HB2) (resid   28 and name  HB2)                ! 0.1018  725:2  -----  6.34, 6.69 A
    or (resid   33 and name  HB2) (resid   27 and name   HB)                ! 0.0989  725:2  -----  6.37, 6.71 A
assign (resid   35 and name  HB2) (resid    2 and name  HG2) 3.15 1.35 1.35 ! 0.6980  726:2  Ambig  3.77, 4.34 A
    or (resid   25 and name  HB1) (resid   19 and name  HB2)                ! 0.1215  726:2  -----  5.05, 5.48 A
assign (resid   26 and name  HG1) (resid   26 and name  HB2) 2.65 0.85 0.85 ! 0.9935  727:2  Intra  2.35, 2.40 A
assign (resid   26 and name  HG1) (resid   26 and name  HB1) 2.65 0.85 0.85 ! 0.0000  728:2  Intra  2.45, 2.98 A
assign (resid   26 and name  HG1) (resid   36 and name  HB*) 3.15 1.35 1.35 ! 0.9994  730:2  Long   2.07, 3.52 A
assign (resid   19 and name  HB2) (resid   35 and name  HB1) 3.15 1.35 1.35 ! 0.8662  731:2  Long   3.53, 3.75 A
assign (resid   26 and name  HB2) (resid   26 and name  HG1) 2.65 0.85 0.85 ! 0.9988  732:2  Intra  2.35, 2.40 A
assign (resid   26 and name  HB1) (resid   26 and name  HG1) 2.65 0.85 0.85 ! 0.0000  733:2  Intra  2.45, 2.98 A
assign (resid   28 and name  HB2) (resid   32 and name  HB1) 3.15 1.35 1.35 ! 0.0000  734:2  Mid    3.03, 3.35 A
assign (resid   30 and name  HG2) (resid   29 and name  HB*) 3.65 1.85 1.85 ! 0.0000  735:2  Seq    4.41, 5.10 A
assign (resid   28 and name  HB2) (resid   32 and name  HB2) 3.65 1.85 1.85 ! 0.6484  736:2  Ambig  4.75, 5.05 A
    or (resid   28 and name  HB2) (resid   33 and name  HB2)                ! 0.1136  736:2  -----  6.34, 6.69 A
    or (resid   27 and name   HB) (resid   33 and name  HB2)                ! 0.1104  736:2  -----  6.37, 6.71 A
assign (resid   28 and name  HB2) (resid   29 and name  HB*) 3.65 1.85 1.85 ! 0.7688  737:2  Ambig  3.88, 4.66 A
    or (resid   30 and name  HG1) (resid   29 and name  HB*)                ! 0.2165  737:2  -----  4.79, 5.34 A
assign (resid   16 and name  HB1) (resid   16 and name  HD2) 3.65 1.85 1.85 ! 0.0000  738:2  Intra  3.87, 3.90 A
assign (resid   34 and name  HB1) (resid   36 and name   HG) 3.15 1.35 1.35 ! 0.0000  739:2  Mid    2.65, 3.02 A
assign (resid   30 and name  HG1) (resid   30 and name  HB2) 3.15 1.35 1.35 ! 0.9911  740:2  Intra  2.99, 3.00 A
assign (resid   25 and name  HB2) (resid    8 and name  HB2) 3.15 1.35 1.35 ! 0.0000  741:2  Long   2.48, 2.66 A
assign (resid   13 and name  HB*) (resid    9 and name  HA1) 3.15 1.35 1.35 ! 0.8309  742:2  Mid    3.09, 4.53 A
assign (resid    5 and name  HB1) (resid    5 and name  HE*) 3.65 1.85 1.85 ! 0.0000  743:2  Intra  4.60, 5.04 A
assign (resid    5 and name  HB2) (resid    5 and name  HE*) 3.65 1.85 1.85 ! 0.0000  744:2  Intra  4.58, 5.04 A
assign (resid   32 and name  HB1) (resid   32 and name  HE*) 3.65 1.85 1.85 ! 0.0000  745:2  Intra  4.62, 5.07 A
assign (resid   32 and name  HB1) (resid   33 and name   HN) 3.65 1.85 1.85 ! 0.9666  746:2  Seq    4.18, 4.25 A
assign (resid   34 and name  HB2) (resid   32 and name  HD*) 3.65 1.85 1.85 ! 0.0000  747:2  Mid    3.31, 4.64 A
assign (resid   36 and name  HB*) (resid   26 and name HE22) 3.65 1.85 1.85 ! 0.9209  748:2  Long   2.62, 3.12 A
assign (resid   17 and name HG2*) (resid   13 and name  HD*) 3.15 1.35 1.35 ! 0.0000  749:2  Mid    2.55, 5.60 A
assign (resid   11 and name   HB) (resid   31 and name  HE*) 3.15 1.35 1.35 ! 0.0000  750:2  Long   2.98, 4.39 A
assign (resid   28 and name HD2*) (resid   32 and name  HE*) 3.65 1.85 1.85 ! 0.0000  751:2  Mid    5.23, 7.79 A
assign (resid   27 and name HG2*) (resid   33 and name   HA) 3.15 1.35 1.35 ! 0.7871  752:2  Ambig  3.72, 5.06 A
    or (resid   28 and name HD2*) (resid   33 and name   HA)                ! 0.2129  752:2  -----  4.62, 5.53 A
assign (resid   28 and name HD1*) (resid   33 and name   HA) 3.65 1.85 1.85 ! 0.4136  753:2  Ambig  4.23, 5.24 A
    or (resid    7 and name  HG2) (resid    8 and name   HA)                ! 0.3041  753:2  -----  4.45, 4.75 A
    or (resid    7 and name  HG2) (resid   33 and name   HA)                ! 0.2330  753:2  -----  4.65, 5.80 A
assign (resid   17 and name HG2*) (resid   15 and name   HN) 3.65 1.85 1.85 ! 0.8226  754:2  Mid    3.38, 4.62 A
assign (resid   36 and name  HB*) (resid   35 and name   HA) 3.65 1.85 1.85 ! 0.8474  755:2  Seq    4.43, 5.07 A
assign (resid    2 and name  HG2) (resid    8 and name   HA) 3.65 1.85 1.85 ! 0.9981  756:2  Long   2.03, 2.24 A
assign (resid   36 and name  HB*) (resid   26 and name  HG1) 3.15 1.35 1.35 ! 0.9994  757:2  Long   2.07, 3.52 A
assign (resid   30 and name  HB2) (resid   30 and name  HG1) 3.15 1.35 1.35 ! 0.0000  758:2  Intra  2.99, 3.00 A
assign (resid   30 and name  HB2) (resid   30 and name  HG2) 2.65 0.85 0.85 ! 0.0000  759:2  Intra  2.32, 2.34 A
assign (resid   11 and name HG2*) (resid   12 and name  HA1) 3.15 1.35 1.35 ! 0.5593  760:2  Ambig  3.50, 4.71 A
    or (resid   27 and name HG2*) (resid   10 and name  HA2)                ! 0.2941  760:2  -----  3.90, 5.47 A
assign (resid   27 and name HG2*) (resid   33 and name  HB1) 3.65 1.85 1.85 ! 0.9926  761:2  Long   2.73, 4.01 A
assign (resid   36 and name HD1*) (resid   36 and name   HA) 3.15 1.35 1.35 ! 0.0000  762:2  Intra  4.39, 4.69 A
assign (resid   11 and name   HB) (resid   11 and name HD1*) 2.30 0.50 0.50 ! 0.0000  763:2  Intra  2.55, 3.16 A
assign (resid   11 and name HG12) (resid   11 and name HD1*) 2.30 0.50 0.50 ! 0.0000  764:2  Intra  2.41, 2.62 A
assign (resid   11 and name   HB) (resid   11 and name HG2*) 2.30 0.50 0.50 ! 0.0000  766:2  Intra  2.44, 2.64 A
assign (resid   36 and name   HG) (resid   36 and name  HB*) 2.30 0.50 0.50 ! 0.9621  767:2  Intra  2.45, 2.76 A
assign (resid   23 and name HG2*) (resid   20 and name  HB*) 3.15 1.35 1.35 ! 0.9973  768:2  Mid    2.40, 4.51 A
assign (resid   23 and name HG2*) (resid   36 and name   HN) 3.65 1.85 1.85 ! 0.0000  769:2  Long   4.67, 5.47 A
assign (resid    7 and name  HG2) (resid    8 and name   HN) 3.65 1.85 1.85 ! 0.0000  770:2  Seq    3.15, 3.46 A
assign (resid   28 and name   HG) (resid   32 and name  HE*) 3.65 1.85 1.85 ! 0.6797  771:2  Ambig  3.95, 5.93 A
    or (resid   28 and name  HB1) (resid   32 and name  HE*)                ! 0.2505  771:2  -----  4.67, 6.79 A
assign (resid   36 and name   HG) (resid    4 and name  HD2) 3.65 1.85 1.85 ! 0.3388  772:2  Ambig  4.36, 4.64 A
    or (resid   20 and name  HB*) (resid    4 and name  HD2)                ! 0.2416  772:2  -----  4.62, 6.30 A
    or (resid   36 and name   HG) (resid    5 and name  HD*)                ! 0.2384  772:2  -----  4.63, 6.05 A
assign (resid    7 and name  HB2) (resid   32 and name  HD*) 3.65 1.85 1.85 ! 0.8795  773:2  Long   3.41, 5.06 A
assign (resid   29 and name  HB*) (resid   29 and name HD22) 3.65 1.85 1.85 ! 0.6801  774:2  Ambig  3.39, 3.65 A
    or (resid   29 and name  HB*) (resid   31 and name  HD*)                ! 0.3199  774:2  -----  3.84, 6.09 A
assign (resid   31 and name  HB1) (resid   31 and name  HE*) 3.65 1.85 1.85 ! 0.0000  775:2  Intra  4.60, 5.05 A
assign (resid   29 and name  HB*) (resid   28 and name  HB1) 3.65 1.85 1.85 ! 0.8411  776:2  Seq    4.53, 5.50 A
assign (resid   29 and name  HB*) (resid   27 and name HG1*) 3.65 1.85 1.85 ! 0.0000  777:2  Mid    5.15, 6.18 A
assign (resid   35 and name   HN) (resid    5 and name   HA) 3.65 1.85 1.85 ! 0.9852  779:2  Long   3.76, 4.02 A
assign (resid    4 and name  HD2) (resid    4 and name   HA) 2.65 0.85 0.85 ! 0.9695  780:2  Intra  2.24, 2.61 A
assign (resid   33 and name   HN) (resid   32 and name  HB1) 3.65 1.85 1.85 ! 0.8965  781:2  Seq    4.18, 4.25 A
assign (resid    5 and name  HD*) (resid   34 and name  HG1) 3.65 1.85 1.85 ! 0.7824  782:2  Ambig  3.69, 5.44 A
    or (resid    4 and name  HD2) (resid   34 and name  HG1)                ! 0.2176  782:2  -----  4.57, 6.24 A
assign (resid   28 and name   HN) (resid   27 and name HG1*) 3.15 1.35 1.35 ! 0.8570  783:2  Seq    3.23, 4.15 A
assign (resid   33 and name   HA) (resid   33 and name  HB1) 2.65 0.85 0.85 ! 0.9083  784:2  Intra  2.45, 2.48 A
assign (resid   34 and name  HB1) (resid   35 and name   HN) 3.65 1.85 1.85 ! 0.0000  785:2  Seq    3.91, 4.03 A
assign (resid   36 and name HD1*) (resid   26 and name HE22) 3.65 1.85 1.85 ! 0.7507  786:2  Ambig  3.43, 4.59 A
    or (resid   36 and name HD1*) (resid    5 and name  HD*)                ! 0.1679  786:2  -----  4.41, 7.07 A
assign (resid   13 and name   HA) (resid   15 and name   HN) 3.15 1.35 1.35 ! 0.6274  787:2  Ambig  3.47, 3.69 A
    or (resid   32 and name   HA) (resid   33 and name   HA)                ! 0.1718  787:2  -----  4.31, 4.34 A
    or (resid   17 and name   HB) (resid    8 and name   HA)                ! 0.0614  787:2  -----  5.12, 5.32 A
assign (resid   17 and name   HA) (resid    8 and name   HA) 2.65 0.85 0.85 ! 0.9344  790:2  Long   2.85, 3.09 A
assign (resid   29 and name   HA) (resid   30 and name  HD1) 2.30 0.50 0.50 ! 0.0000  791:2  Seq    2.16, 2.21 A
assign (resid   29 and name   HA) (resid   29 and name  HB*) 2.30 0.50 0.50 ! 0.0000  792:2  Intra  2.36, 2.71 A
assign (resid   25 and name   HA) (resid    8 and name  HB2) 3.15 1.35 1.35 ! 0.3898  793:2  Ambig  3.63, 3.99 A
    or (resid   17 and name   HB) (resid    8 and name  HB2)                ! 0.3539  793:2  -----  3.69, 4.09 A
    or (resid   25 and name   HA) (resid   33 and name  HB1)                ! 0.1134  793:2  -----  4.46, 4.65 A
assign (resid  101 and name   H1) (resid  101 and name   H5) 3.15 1.35 1.35 ! 0.9146  794:2  Intra  3.63, 3.70 A
assign (resid   29 and name   HA) (resid   27 and name HG1*) 3.15 1.35 1.35 ! 0.0000  795:2  Mid    3.39, 4.98 A
assign (resid   29 and name   HA) (resid   30 and name  HG1) 3.15 1.35 1.35 ! 0.5274  796:2  Ambig  4.21, 4.28 A
    or (resid   29 and name   HA) (resid   28 and name  HB2)                ! 0.3927  796:2  -----  4.42, 4.61 A
assign (resid   29 and name   HA) (resid   32 and name  HB1) 3.65 1.85 1.85 ! 0.0000  797:2  Mid    4.64, 4.96 A
assign (resid   23 and name   HA) (resid   23 and name   HB) 2.30 0.50 0.50 ! 0.9958  799:2  Intra  2.44, 2.48 A
assign (resid   17 and name   HA) (resid    8 and name  HB2) 2.65 0.85 0.85 ! 0.9928  800:2  Long   2.34, 3.02 A
assign (resid   17 and name   HA) (resid   17 and name   HB) 2.30 0.50 0.50 ! 0.9773  801:2  Intra  2.50, 2.54 A
assign (resid   13 and name   HA) (resid   12 and name  HA1) 3.15 1.35 1.35 ! 0.4386  802:2  Ambig  4.34, 4.42 A
    or (resid   32 and name   HA) (resid   10 and name  HA2)                ! 0.3114  802:2  -----  4.60, 4.83 A
    or (resid   32 and name   HA) (resid    7 and name   HA)                ! 0.1552  802:2  -----  5.16, 5.39 A
assign (resid   29 and name   HA) (resid   30 and name  HD2) 2.65 0.85 0.85 ! 0.0000  803:2  Seq    3.09, 3.15 A
assign (resid    3 and name  HB1) (resid    3 and name   HA) 2.65 0.85 0.85 ! 0.9724  804:2  Intra  2.38, 2.41 A
assign (resid    3 and name  HB2) (resid    3 and name   HA) 2.65 0.85 0.85 ! 0.0000  805:2  Intra  3.01, 3.02 A
assign (resid   11 and name   HB) (resid   11 and name   HA) 2.65 0.85 0.85 ! 0.9414  806:2  Intra  3.03, 3.04 A
assign (resid   11 and name   HB) (resid   31 and name   HA) 3.15 1.35 1.35 ! 0.0000  807:2  Long   2.26, 2.63 A
assign (resid   30 and name  HB2) (resid   30 and name  HD1) 3.65 1.85 1.85 ! 0.0000  808:2  Intra  3.83, 3.86 A
assign (resid   30 and name  HB2) (resid   30 and name  HD2) 3.15 1.35 1.35 ! 0.0000  809:2  Intra  2.83, 2.89 A
assign (resid   27 and name HG2*) (resid   26 and name   HA) 3.65 1.85 1.85 ! 0.9487  811:2  Seq    3.51, 4.61 A
assign (resid   16 and name   HA) (resid   16 and name  HD2) 3.15 1.35 1.35 ! 0.9474  812:2  Intra  3.93, 4.07 A
assign (resid   34 and name  HB2) (resid   34 and name  HG2) 2.65 0.85 0.85 ! 0.9087  814:2  Intra  2.56, 2.97 A
assign (resid   11 and name HG2*) (resid   11 and name   HB) 2.30 0.50 0.50 ! 0.9884  818:2  Intra  2.44, 2.64 A
assign (resid   36 and name HD1*) (resid   36 and name   HG) 2.30 0.50 0.50 ! 0.9031  819:2  Intra  2.41, 2.63 A
assign (resid   36 and name HD2*) (resid   36 and name   HG) 2.30 0.50 0.50 ! 0.0000  820:2  Intra  2.41, 2.64 A
assign (resid    7 and name  HG2) (resid    7 and name  HB2) 3.15 1.35 1.35 ! 0.7213  822:2  Ambig  2.57, 2.97 A
    or (resid   28 and name HD1*) (resid   34 and name  HG2)                ! 0.2646  822:2  -----  3.04, 4.96 A
assign (resid   26 and name  HB1) (resid   28 and name HD2*) 2.65 0.85 0.85 ! 0.7280  823:2  Ambig  2.70, 3.80 A
    or (resid   26 and name  HB1) (resid   36 and name HD1*)                ! 0.2584  823:2  -----  3.21, 4.66 A
assign (resid   36 and name  HB*) (resid   36 and name HD2*) 2.30 0.50 0.50 ! 0.6377  825:2  Ambig  2.39, 3.48 A
    or (resid   34 and name  HB2) (resid   28 and name HD1*)                ! 0.3237  825:2  -----  2.68, 3.48 A
assign (resid   11 and name HD1*) (resid   11 and name HG12) 2.65 0.85 0.85 ! 0.0000  826:2  Intra  2.41, 2.62 A
assign (resid    8 and name  HB1) (resid    2 and name  HG2) 3.15 1.35 1.35 ! 0.9394  827:2  Long   2.90, 3.33 A
assign (resid   20 and name  HB*) (resid   23 and name HG2*) 3.15 1.35 1.35 ! 0.9973  828:2  Mid    2.40, 4.51 A
assign (resid   11 and name HG2*) (resid   11 and name HD1*) 2.30 0.50 0.50 ! 0.0000  829:2  Intra  2.01, 3.65 A
assign (resid    1 and name HG2*) (resid   18 and name   HB) 2.65 0.85 0.85 ! 0.6900  830:2  Ambig  1.90, 2.90 A
    or (resid   36 and name   HG) (resid   34 and name  HG2)                ! 0.3071  830:2  -----  2.17, 2.41 A
assign (resid    1 and name HG2*) (resid   18 and name HG1*) 2.30 0.50 0.50 ! 0.4938  831:2  Ambig  2.33, 3.91 A
    or (resid   36 and name   HG) (resid   36 and name HD1*)                ! 0.4071  831:2  -----  2.41, 2.63 A
assign (resid   10 and name  HA2) (resid   32 and name   HA) 3.65 1.85 1.85 ! 0.5547  832:2  Ambig  4.60, 4.83 A
    or (resid    7 and name   HA) (resid   32 and name   HA)                ! 0.2764  832:2  -----  5.16, 5.39 A
assign (resid   29 and name   HA) (resid   30 and name  HG2) 3.65 1.85 1.85 ! 0.0000  833:2  Seq    4.77, 4.82 A
assign (resid   17 and name   HA) (resid   17 and name HG2*) 2.30 0.50 0.50 ! 0.9885  834:2  Intra  2.31, 2.96 A
assign (resid   23 and name   HA) (resid   23 and name HG2*) 2.30 0.50 0.50 ! 0.0000  835:2  Intra  2.46, 3.09 A
assign (resid   28 and name   HA) (resid   28 and name  HB1) 2.65 0.85 0.85 ! 0.8327  836:2  Intra  2.41, 2.44 A
assign (resid   28 and name   HA) (resid   28 and name  HB2) 2.65 0.85 0.85 ! 0.9177  837:2  Intra  3.01, 3.02 A
assign (resid   27 and name HG1*) (resid   11 and name HD1*) 3.65 1.85 1.85 ! 0.0000  838:2  Long   5.45, 7.28 A
# Restraints file 2: talos.tbl

!    2 Q -114.728  143.558   16.570   15.220    3.908 0.774 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 -114.7   33.1 2
assign (resid    2 and name N    ) (resid    2 and name CA   )
       (resid    2 and name C    ) (resid    3 and name N    )    1.0  143.6   30.4 2

!    3 S  -70.672  141.660    9.400   15.621    2.506 0.801 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  -70.7   20.0 2
assign (resid    3 and name N    ) (resid    3 and name CA   )
       (resid    3 and name C    ) (resid    4 and name N    )    1.0  141.7   31.2 2

!    5 Y   59.177   32.189    5.434    9.768    1.375 0.794 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   59.2   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   32.2   20.0 2

!   10 G  -75.169  161.688   11.748   18.332    1.275 0.802 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    0.827 0.765 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   87.447    0.029   13.272   15.212    0.592 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   26.5 2
assign (resid   12 and name N    ) (resid   12 and name CA   )
       (resid   12 and name C    ) (resid   13 and name N    )    1.0    0.0   30.4 2

!   13 Y  -69.231  131.382   19.964    8.959   -0.846 0.703 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  -69.2   39.9 2
assign (resid   13 and name N    ) (resid   13 and name CA   )
       (resid   13 and name C    ) (resid   14 and name N    )    1.0  131.4   20.0 2

!   14 S -113.482   -0.145   14.165   23.195    1.160 0.701 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 -113.5   28.3 2
assign (resid   14 and name N    ) (resid   14 and name CA   )
       (resid   14 and name C    ) (resid   15 and name N    )    1.0   -0.1   46.4 2

!   18 V  -80.274  131.733   15.579   12.501    1.102 0.682 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   31.2 2
assign (resid   18 and name N    ) (resid   18 and name CA   )
       (resid   18 and name C    ) (resid   19 and name N    )    1.0  131.7   25.0 2

!   19 c  -71.232  142.159    7.946   16.096    0.729 0.779 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  -71.2   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  142.2   48.3 2

!   21 S  -57.397  132.686    4.739    5.134    0.228 0.761 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  -57.4   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  132.7   20.0 2

!   22 G   90.752   -0.202    6.668    7.831    0.187 0.754 25 14 Strong
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   20.0 2
assign (resid   22 and name N    ) (resid   22 and name CA   )
       (resid   22 and name C    ) (resid   23 and name N    )    1.0   -0.2   20.0 2

!   23 T -126.848  156.464   11.098    9.943    0.315 0.786 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 -126.8   22.2 2
assign (resid   23 and name N    ) (resid   23 and name CA   )
       (resid   23 and name C    ) (resid   24 and name N    )    1.0  156.5   20.0 2

!   24 T -128.512  146.937   13.679   10.698    0.378 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 -128.5   27.4 2
assign (resid   24 and name N    ) (resid   24 and name CA   )
       (resid   24 and name C    ) (resid   25 and name N    )    1.0  146.9   21.4 2

!   25 c  -74.238  128.761    9.170   16.453    0.628 0.807 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  -74.2   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  128.8   32.9 2

!   26 Q  -90.193  134.980   17.532   14.545    0.544 0.800 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  -90.2   35.1 2
assign (resid   26 and name N    ) (resid   26 and name CA   )
       (resid   26 and name C    ) (resid   27 and name N    )    1.0  135.0   29.1 2

!   27 V  -77.077  130.696   13.968   18.216    0.523 0.797 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  -77.1   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  130.7   36.4 2

!   30 P  -61.069  -23.187    5.316    8.679    0.742 0.802 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  -61.1   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 0.817 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  -70.891  135.712   15.262    6.758    0.871 0.847 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  -70.9   30.5 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 -116.581  133.495   14.275   11.154    0.923 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 -116.6   28.6 2
assign (resid   33 and name N    ) (resid   33 and name CA   )
       (resid   33 and name C    ) (resid   34 and name N    )    1.0  133.5   22.3 2

!   34 Q -132.773  142.731   10.201   12.773    1.062 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  -84.979  129.727   12.766   13.021    1.483 0.885 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  -85.0   25.5 2
assign (resid   35 and name N    ) (resid   35 and name CA   )
       (resid   35 and name C    ) (resid   36 and name N    )    1.0  129.7   26.0 2

!    3 S Chi1 g- -60+-30deg
assign (resid    3 and name N    ) (resid    3 and name CA   )
       (resid    3 and name CB   ) (resid    3 and name OG   )    1.0  -60.0   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
!   14 S Chi1 g+  60+-30deg
assign (resid   14 and name N    ) (resid   14 and name CA   )
       (resid   14 and name CB   ) (resid   14 and name OG   )    1.0   60.0   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
!   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
!   35 c Chi1 g- -60+-30deg
assign (resid   35 and name N    ) (resid   35 and name CA   )
       (resid   35 and name CB   ) (resid   35 and name SG   )    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  -9.708   6.001  -2.588
    2    H2   THR   1           H2       THR   1  -8.840   7.434  -2.366
    3    H3   THR   1           H3       THR   1  -8.935   6.311  -1.109
    4    HA   THR   1           HA       THR   1  -7.682   4.748  -2.398
    5    HB   THR   1           HB       THR   1  -6.532   5.717  -4.446
    6   HG21  THR   1          HG21      THR   1  -8.295   3.980  -4.569
    7   HG22  THR   1          HG22      THR   1  -8.431   5.081  -5.933
    8   HG23  THR   1          HG23      THR   1  -9.534   5.233  -4.576
    9    H    GLN   2           H        GLN   2  -5.330   4.805  -2.373
   10    HA   GLN   2           HA       GLN   2  -4.426   6.879  -0.546
   11    HB2  GLN   2           HB2      GLN   2  -4.102   4.477   0.023
   12    HB3  GLN   2           HB3      GLN   2  -3.062   4.316  -1.385
   13    HG2  GLN   2           HG2      GLN   2  -1.773   4.539   0.670
   14    HG3  GLN   2           HG3      GLN   2  -1.490   5.894  -0.426
   15   HE21  GLN   2          HE21      GLN   2  -2.891   4.894   2.548
   16   HE22  GLN   2          HE22      GLN   2  -3.193   6.469   3.192
   17    H    SER   3           H        SER   3  -2.580   8.076  -0.910
   18    HA   SER   3           HA       SER   3  -2.130   8.726  -3.682
   19    HB2  SER   3           HB2      SER   3  -1.070  10.012  -1.171
   20    HB3  SER   3           HB3      SER   3  -1.137  10.719  -2.791
   21    HG   SER   3           HG       SER   3  -2.911  10.957  -0.981
   22    H    HIS   4           H        HIS   4   0.219   9.404  -4.155
   23    HA   HIS   4           HA       HIS   4   1.841   7.076  -4.142
   24    HB2  HIS   4           HB2      HIS   4   1.745   9.010  -5.883
   25    HB3  HIS   4           HB3      HIS   4   2.815   9.866  -4.785
   26    HD1  HIS   4           HD1      HIS   4   4.737   9.859  -6.541
   27    HD2  HIS   4           HD2      HIS   4   3.421   6.101  -5.446
   28    HE1  HIS   4           HE1      HIS   4   6.354   8.259  -7.573
   29    HE2  HIS   4           HE2      HIS   4   5.215   6.030  -7.235
   30    H    TYR   5           H        TYR   5   3.372   6.447  -2.725
   31    HA   TYR   5           HA       TYR   5   4.769   6.340  -1.023
   32    HB2  TYR   5           HB2      TYR   5   4.783   9.352  -1.182
   33    HB3  TYR   5           HB3      TYR   5   5.638   8.506   0.101
   34    HD1  TYR   5           HD1      TYR   5   5.464   8.997  -3.562
   35    HD2  TYR   5           HD2      TYR   5   7.704   7.416  -0.316
   36    HE1  TYR   5           HE1      TYR   5   7.378   8.645  -5.058
   37    HE2  TYR   5           HE2      TYR   5   9.626   7.064  -1.801
   38    HH   TYR   5           HH       TYR   5  10.133   6.819  -4.084
   39    H    GLY   6           H        GLY   6   1.773   6.707  -0.782
   40    HA2  GLY   6           HA2      GLY   6   1.721   7.030   2.128
   41    HA3  GLY   6           HA3      GLY   6   0.315   6.984   1.062
   42    H    GLN   7           H        GLN   7   0.605   5.364   3.370
   43    HA   GLN   7           HA       GLN   7   1.406   2.724   2.572
   44    HB2  GLN   7           HB2      GLN   7   1.404   3.697   4.978
   45    HB3  GLN   7           HB3      GLN   7  -0.337   3.466   4.905
   46    HG2  GLN   7           HG2      GLN   7  -0.078   1.083   4.683
   47    HG3  GLN   7           HG3      GLN   7   1.678   1.249   4.622
   48   HE21  GLN   7          HE21      GLN   7   0.182  -0.315   6.555
   49   HE22  GLN   7          HE22      GLN   7   0.514   0.393   8.087
   50    H    CYS   8           H        CYS   8   0.204   1.580   1.221
   51    HA   CYS   8           HA       CYS   8  -2.514   2.293   0.687
   52    HB2  CYS   8           HB2      CYS   8  -2.352   0.257  -0.884
   53    HB3  CYS   8           HB3      CYS   8  -1.373   1.675  -1.241
   54    H    GLY   9           H        GLY   9  -1.141  -0.867   1.575
   55    HA2  GLY   9           HA2      GLY   9  -3.149  -1.255   3.541
   56    HA3  GLY   9           HA3      GLY   9  -3.597  -2.044   2.039
   57    H    GLY  10           H        GLY  10  -1.266  -1.864   4.569
   58    HA2  GLY  10           HA2      GLY  10  -0.316  -4.545   3.881
   59    HA3  GLY  10           HA3      GLY  10   0.466  -3.442   5.016
   60    H    ILE  11           H        ILE  11   0.119  -5.808   6.098
   61    HA   ILE  11           HA       ILE  11  -2.433  -6.341   7.156
   62    HB   ILE  11           HB       ILE  11   0.299  -7.183   8.188
   63   HG12  ILE  11          HG12      ILE  11  -1.699  -8.664   6.455
   64   HG13  ILE  11          HG13      ILE  11  -0.216  -7.918   5.881
   65   HG21  ILE  11          HG21      ILE  11  -1.393  -7.375   9.949
   66   HG22  ILE  11          HG22      ILE  11  -0.888  -8.969   9.391
   67   HG23  ILE  11          HG23      ILE  11  -2.430  -8.301   8.860
   68   HD11  ILE  11          HD11      ILE  11   1.089  -9.474   7.232
   69   HD12  ILE  11          HD12      ILE  11   0.016 -10.327   6.119
   70   HD13  ILE  11          HD13      ILE  11  -0.402 -10.205   7.829
   71    H    GLY  12           H        GLY  12  -3.514  -5.326   8.679
   72    HA2  GLY  12           HA2      GLY  12  -3.678  -4.438  10.912
   73    HA3  GLY  12           HA3      GLY  12  -2.039  -3.829  10.732
   74    H    TYR  13           H        TYR  13  -3.176  -3.127   7.861
   75    HA   TYR  13           HA       TYR  13  -4.019  -0.452   8.714
   76    HB2  TYR  13           HB2      TYR  13  -1.999  -0.740   7.209
   77    HB3  TYR  13           HB3      TYR  13  -3.089  -1.353   5.975
   78    HD1  TYR  13           HD1      TYR  13  -2.140   1.608   7.930
   79    HD2  TYR  13           HD2      TYR  13  -4.419   0.150   4.663
   80    HE1  TYR  13           HE1      TYR  13  -2.505   3.917   7.167
   81    HE2  TYR  13           HE2      TYR  13  -4.795   2.454   3.897
   82    HH   TYR  13           HH       TYR  13  -3.025   5.054   5.055
   83    H    SER  14           H        SER  14  -6.065   0.255   8.232
   84    HA   SER  14           HA       SER  14  -7.729  -1.494   6.569
   85    HB2  SER  14           HB2      SER  14  -9.564  -0.832   8.224
   86    HB3  SER  14           HB3      SER  14  -8.342  -1.971   8.788
   87    HG   SER  14           HG       SER  14  -8.317  -0.580  10.363
   88    H    GLY  15           H        GLY  15  -6.329   1.173   6.102
   89    HA2  GLY  15           HA2      GLY  15  -8.614   2.959   5.730
   90    HA3  GLY  15           HA3      GLY  15  -6.920   3.409   5.591
   91    HA   PRO  16           HA       PRO  16  -8.370   3.191   1.256
   92    HB2  PRO  16           HB2      PRO  16  -6.539   4.963   0.282
   93    HB3  PRO  16           HB3      PRO  16  -8.058   5.461   1.029
   94    HG2  PRO  16           HG2      PRO  16  -5.318   5.382   2.197
   95    HG3  PRO  16           HG3      PRO  16  -6.593   6.597   2.398
   96    HD2  PRO  16           HD2      PRO  16  -6.024   4.692   4.247
   97    HD3  PRO  16           HD3      PRO  16  -7.642   5.392   4.046
   98    H    THR  17           H        THR  17  -7.727   1.146   0.781
   99    HA   THR  17           HA       THR  17  -4.956   0.387   0.697
  100    HB   THR  17           HB       THR  17  -5.971  -1.834   0.034
  101    HG1  THR  17           HG1      THR  17  -8.086  -2.009  -0.070
  102   HG21  THR  17          HG21      THR  17  -6.993  -0.550   2.571
  103   HG22  THR  17          HG22      THR  17  -5.389  -1.235   2.371
  104   HG23  THR  17          HG23      THR  17  -6.815  -2.279   2.279
  105    H    VAL  18           H        VAL  18  -7.336   1.366  -1.600
  106    HA   VAL  18           HA       VAL  18  -5.871   0.212  -3.809
  107    HB   VAL  18           HB       VAL  18  -8.305   2.037  -3.850
  108   HG11  VAL  18          HG11      VAL  18  -7.078   0.401  -6.076
  109   HG12  VAL  18          HG12      VAL  18  -7.044   2.157  -5.943
  110   HG13  VAL  18          HG13      VAL  18  -8.580   1.320  -6.179
  111   HG21  VAL  18          HG21      VAL  18  -8.794  -0.102  -2.788
  112   HG22  VAL  18          HG22      VAL  18  -8.117  -0.958  -4.175
  113   HG23  VAL  18          HG23      VAL  18  -9.580   0.003  -4.364
  114    H    CYS  19           H        CYS  19  -4.283   1.199  -4.784
  115    HA   CYS  19           HA       CYS  19  -3.494   3.817  -3.978
  116    HB2  CYS  19           HB2      CYS  19  -2.345   1.921  -6.011
  117    HB3  CYS  19           HB3      CYS  19  -1.607   3.454  -5.555
  118    H    ALA  20           H        ALA  20  -3.078   5.571  -5.355
  119    HA   ALA  20           HA       ALA  20  -5.189   6.204  -7.092
  120    HB1  ALA  20           HB1      ALA  20  -4.005   7.838  -5.705
  121    HB2  ALA  20           HB2      ALA  20  -4.027   8.295  -7.405
  122    HB3  ALA  20           HB3      ALA  20  -2.560   7.616  -6.692
  123    H    SER  21           H        SER  21  -4.699   7.189  -9.325
  124    HA   SER  21           HA       SER  21  -3.936   5.107 -10.986
  125    HB2  SER  21           HB2      SER  21  -4.278   6.959 -12.713
  126    HB3  SER  21           HB3      SER  21  -5.643   6.532 -11.676
  127    HG   SER  21           HG       SER  21  -5.472   8.731 -11.706
  128    H    GLY  22           H        GLY  22  -1.985   4.505 -11.522
  129    HA2  GLY  22           HA2      GLY  22   0.069   4.881 -12.636
  130    HA3  GLY  22           HA3      GLY  22   0.059   6.533 -12.034
  131    H    THR  23           H        THR  23  -0.832   4.282  -9.658
  132    HA   THR  23           HA       THR  23   1.924   4.016  -8.740
  133    HB   THR  23           HB       THR  23   1.271   4.565  -6.421
  134    HG1  THR  23           HG1      THR  23  -1.279   4.824  -7.599
  135   HG21  THR  23          HG21      THR  23   2.085   6.415  -7.789
  136   HG22  THR  23          HG22      THR  23   0.856   6.975  -6.653
  137   HG23  THR  23          HG23      THR  23   0.443   6.732  -8.349
  138    H    THR  24           H        THR  24   2.322   2.069  -7.675
  139    HA   THR  24           HA       THR  24   0.037   0.258  -7.617
  140    HB   THR  24           HB       THR  24   1.784  -1.575  -7.884
  141    HG1  THR  24           HG1      THR  24   3.419   0.668  -7.928
  142   HG21  THR  24          HG21      THR  24   1.975  -1.250 -10.327
  143   HG22  THR  24          HG22      THR  24   1.473   0.429 -10.129
  144   HG23  THR  24          HG23      THR  24   0.354  -0.877  -9.741
  145    H    CYS  25           H        CYS  25  -0.202  -1.102  -5.796
  146    HA   CYS  25           HA       CYS  25   0.978  -0.061  -3.396
  147    HB2  CYS  25           HB2      CYS  25  -1.403  -0.754  -3.369
  148    HB3  CYS  25           HB3      CYS  25  -0.940  -2.399  -3.789
  149    H    GLN  26           H        GLN  26   3.081  -0.498  -3.297
  150    HA   GLN  26           HA       GLN  26   4.029  -3.177  -3.871
  151    HB2  GLN  26           HB2      GLN  26   5.549  -0.634  -3.257
  152    HB3  GLN  26           HB3      GLN  26   6.297  -2.172  -3.662
  153    HG2  GLN  26           HG2      GLN  26   5.047  -2.077  -5.851
  154    HG3  GLN  26           HG3      GLN  26   4.579  -0.443  -5.423
  155   HE21  GLN  26          HE21      GLN  26   5.643   0.393  -7.217
  156   HE22  GLN  26          HE22      GLN  26   7.352   0.539  -7.314
  157    H    VAL  27           H        VAL  27   4.443  -4.591  -2.354
  158    HA   VAL  27           HA       VAL  27   3.968  -3.847   0.390
  159    HB   VAL  27           HB       VAL  27   4.720  -6.574  -0.707
  160   HG11  VAL  27          HG11      VAL  27   3.350  -5.794   1.852
  161   HG12  VAL  27          HG12      VAL  27   4.996  -6.400   1.686
  162   HG13  VAL  27          HG13      VAL  27   3.629  -7.444   1.299
  163   HG21  VAL  27          HG21      VAL  27   1.967  -5.405  -0.320
  164   HG22  VAL  27          HG22      VAL  27   2.308  -7.090  -0.714
  165   HG23  VAL  27          HG23      VAL  27   2.726  -5.814  -1.859
  166    H    LEU  28           H        LEU  28   5.675  -2.697   1.121
  167    HA   LEU  28           HA       LEU  28   8.394  -3.418   0.534
  168    HB2  LEU  28           HB2      LEU  28   7.419  -1.513   2.664
  169    HB3  LEU  28           HB3      LEU  28   9.023  -1.584   1.972
  170    HG   LEU  28           HG       LEU  28   6.504  -0.594   0.639
  171   HD11  LEU  28          HD11      LEU  28   7.519   0.970   2.170
  172   HD12  LEU  28          HD12      LEU  28   7.723   1.510   0.505
  173   HD13  LEU  28          HD13      LEU  28   9.073   0.776   1.370
  174   HD21  LEU  28          HD21      LEU  28   9.254  -0.910  -0.557
  175   HD22  LEU  28          HD22      LEU  28   7.897  -0.060  -1.291
  176   HD23  LEU  28          HD23      LEU  28   7.801  -1.805  -1.028
  177    H    ASN  29           H        ASN  29   6.159  -3.770   3.173
  178    HA   ASN  29           HA       ASN  29   7.774  -5.886   4.335
  179    HB2  ASN  29           HB2      ASN  29   6.622  -3.576   5.965
  180    HB3  ASN  29           HB3      ASN  29   7.371  -5.021   6.624
  181   HD21  ASN  29          HD21      ASN  29   7.861  -1.928   5.248
  182   HD22  ASN  29          HD22      ASN  29   9.545  -1.823   5.503
  183    HA   PRO  30           HA       PRO  30   3.771  -7.788   4.648
  184    HB2  PRO  30           HB2      PRO  30   4.107  -8.131   7.592
  185    HB3  PRO  30           HB3      PRO  30   3.733  -9.338   6.358
  186    HG2  PRO  30           HG2      PRO  30   6.161  -9.232   7.408
  187    HG3  PRO  30           HG3      PRO  30   5.951  -9.518   5.671
  188    HD2  PRO  30           HD2      PRO  30   6.734  -7.013   7.098
  189    HD3  PRO  30           HD3      PRO  30   7.369  -7.673   5.580
  190    H    TYR  31           H        TYR  31   4.474  -5.402   7.150
  191    HA   TYR  31           HA       TYR  31   1.591  -4.878   7.404
  192    HB2  TYR  31           HB2      TYR  31   3.836  -3.679   9.014
  193    HB3  TYR  31           HB3      TYR  31   2.121  -3.679   9.400
  194    HD1  TYR  31           HD1      TYR  31   5.232  -5.392   9.729
  195    HD2  TYR  31           HD2      TYR  31   1.026  -5.925   9.938
  196    HE1  TYR  31           HE1      TYR  31   5.568  -7.441  11.019
  197    HE2  TYR  31           HE2      TYR  31   1.346  -7.982  11.237
  198    HH   TYR  31           HH       TYR  31   4.342  -8.781  12.603
  199    H    TYR  32           H        TYR  32   4.574  -3.491   6.205
  200    HA   TYR  32           HA       TYR  32   3.104  -1.026   5.694
  201    HB2  TYR  32           HB2      TYR  32   5.354  -0.821   6.916
  202    HB3  TYR  32           HB3      TYR  32   6.088  -1.308   5.395
  203    HD1  TYR  32           HD1      TYR  32   6.450   0.225   3.666
  204    HD2  TYR  32           HD2      TYR  32   3.895   1.277   6.879
  205    HE1  TYR  32           HE1      TYR  32   6.308   2.520   2.783
  206    HE2  TYR  32           HE2      TYR  32   3.741   3.577   6.032
  207    HH   TYR  32           HH       TYR  32   5.023   5.085   4.624
  208    H    SER  33           H        SER  33   2.244  -0.884   3.810
  209    HA   SER  33           HA       SER  33   3.736  -1.841   1.492
  210    HB2  SER  33           HB2      SER  33   0.729  -1.848   1.929
  211    HB3  SER  33           HB3      SER  33   1.553  -2.450   0.493
  212    HG   SER  33           HG       SER  33   2.672  -3.662   2.535
  213    H    GLN  34           H        GLN  34   3.785  -0.283  -0.204
  214    HA   GLN  34           HA       GLN  34   2.584   2.294   0.519
  215    HB2  GLN  34           HB2      GLN  34   4.906   2.258   1.254
  216    HB3  GLN  34           HB3      GLN  34   5.432   1.791  -0.348
  217    HG2  GLN  34           HG2      GLN  34   4.770   3.922  -1.241
  218    HG3  GLN  34           HG3      GLN  34   4.070   4.390   0.310
  219   HE21  GLN  34          HE21      GLN  34   5.445   4.929   2.020
  220   HE22  GLN  34          HE22      GLN  34   7.095   5.309   1.761
  221    H    CYS  35           H        CYS  35   1.786   3.464  -1.132
  222    HA   CYS  35           HA       CYS  35   1.524   2.240  -3.708
  223    HB2  CYS  35           HB2      CYS  35   0.735   4.997  -2.745
  224    HB3  CYS  35           HB3      CYS  35   0.318   4.327  -4.318
  225    H    LEU  36           H        LEU  36   3.145   2.183  -5.013
  226    HA   LEU  36           HA       LEU  36   4.767   4.573  -5.419
  227    HB2  LEU  36           HB2      LEU  36   5.658   1.707  -5.304
  228    HB3  LEU  36           HB3      LEU  36   6.657   3.034  -5.864
  229    HG   LEU  36           HG       LEU  36   5.508   2.849  -3.089
  230   HD11  LEU  36          HD11      LEU  36   7.771   2.255  -2.401
  231   HD12  LEU  36          HD12      LEU  36   8.272   2.220  -4.097
  232   HD13  LEU  36          HD13      LEU  36   7.097   1.047  -3.495
  233   HD21  LEU  36          HD21      LEU  36   7.123   4.630  -2.618
  234   HD22  LEU  36          HD22      LEU  36   5.953   5.123  -3.836
  235   HD23  LEU  36          HD23      LEU  36   7.586   4.657  -4.318
  236    H1   MAN 101           H1       MAN 101  -6.654   7.200  -6.189
  237    H2   MAN 101           H2       MAN 101  -8.138   9.732  -5.450
  238    H3   MAN 101           H3       MAN 101  -8.774   9.810  -7.673
  239    H4   MAN 101           H4       MAN 101  -6.345   8.066  -8.265
  240    H5   MAN 101           H5       MAN 101  -9.259   7.380  -8.711
  241    H61  MAN 101           H61      MAN 101  -8.556   5.129  -8.412
  242    H62  MAN 101           H62      MAN 101  -6.951   5.566  -7.805
  243    HO2  MAN 101           HO2      MAN 101  -6.060  10.428  -6.142
  244    HO3  MAN 101           HO3      MAN 101  -6.995  10.752  -8.826
  245    HO4  MAN 101           HO4      MAN 101  -7.391   8.036 -10.322
  246    HO6  MAN 101           HO6      MAN 101  -7.303   4.937 -10.175
  Start of MODEL    2
    1    H1   THR   1           H1       THR   1  -8.538   8.220  -2.928
    2    H2   THR   1           H2       THR   1  -8.957   6.987  -1.865
    3    H3   THR   1           H3       THR   1  -9.494   6.965  -3.465
    4    HA   THR   1           HA       THR   1  -7.597   5.466  -3.081
    5    HB   THR   1           HB       THR   1  -6.184   6.538  -4.962
    6   HG21  THR   1          HG21      THR   1  -7.956   4.789  -5.230
    7   HG22  THR   1          HG22      THR   1  -7.909   5.881  -6.601
    8   HG23  THR   1          HG23      THR   1  -9.171   6.058  -5.376
    9    H    GLN   2           H        GLN   2  -5.406   5.210  -2.549
   10    HA   GLN   2           HA       GLN   2  -4.405   7.181  -0.678
   11    HB2  GLN   2           HB2      GLN   2  -4.361   4.747  -0.156
   12    HB3  GLN   2           HB3      GLN   2  -3.284   4.488  -1.517
   13    HG2  GLN   2           HG2      GLN   2  -2.057   4.502   0.583
   14    HG3  GLN   2           HG3      GLN   2  -1.584   5.860  -0.436
   15   HE21  GLN   2          HE21      GLN   2  -3.209   4.892   2.450
   16   HE22  GLN   2          HE22      GLN   2  -3.352   6.465   3.140
   17    H    SER   3           H        SER   3  -2.427   8.253  -0.912
   18    HA   SER   3           HA       SER   3  -1.795   8.920  -3.659
   19    HB2  SER   3           HB2      SER   3  -0.735  10.058  -1.071
   20    HB3  SER   3           HB3      SER   3  -0.472  10.724  -2.684
   21    HG   SER   3           HG       SER   3  -2.977  10.387  -1.388
   22    H    HIS   4           H        HIS   4   0.461   9.241  -4.320
   23    HA   HIS   4           HA       HIS   4   2.086   6.961  -4.177
   24    HB2  HIS   4           HB2      HIS   4   2.068   8.779  -5.966
   25    HB3  HIS   4           HB3      HIS   4   2.943   9.799  -4.838
   26    HD1  HIS   4           HD1      HIS   4   5.288   9.937  -5.632
   27    HD2  HIS   4           HD2      HIS   4   3.715   6.134  -6.142
   28    HE1  HIS   4           HE1      HIS   4   7.124   8.589  -6.675
   29    HE2  HIS   4           HE2      HIS   4   6.054   6.387  -7.217
   30    H    TYR   5           H        TYR   5   3.555   6.341  -2.701
   31    HA   TYR   5           HA       TYR   5   4.910   6.224  -0.934
   32    HB2  TYR   5           HB2      TYR   5   4.886   9.227  -1.048
   33    HB3  TYR   5           HB3      TYR   5   5.603   8.405   0.327
   34    HD1  TYR   5           HD1      TYR   5   5.923   9.146  -3.235
   35    HD2  TYR   5           HD2      TYR   5   7.663   7.151   0.081
   36    HE1  TYR   5           HE1      TYR   5   8.036   8.938  -4.469
   37    HE2  TYR   5           HE2      TYR   5   9.780   6.934  -1.140
   38    HH   TYR   5           HH       TYR   5  10.428   8.700  -3.903
   39    H    GLY   6           H        GLY   6   1.845   6.676  -0.806
   40    HA2  GLY   6           HA2      GLY   6   1.671   7.040   2.079
   41    HA3  GLY   6           HA3      GLY   6   0.319   6.928   0.951
   42    H    GLN   7           H        GLN   7   0.488   5.440   3.324
   43    HA   GLN   7           HA       GLN   7   1.321   2.770   2.569
   44    HB2  GLN   7           HB2      GLN   7   1.593   3.535   4.948
   45    HB3  GLN   7           HB3      GLN   7  -0.160   3.681   5.031
   46    HG2  GLN   7           HG2      GLN   7  -0.440   1.303   4.773
   47    HG3  GLN   7           HG3      GLN   7   1.296   1.089   4.553
   48   HE21  GLN   7          HE21      GLN   7   1.389  -0.367   6.388
   49   HE22  GLN   7          HE22      GLN   7   1.290   0.259   7.962
   50    H    CYS   8           H        CYS   8   0.111   1.804   1.182
   51    HA   CYS   8           HA       CYS   8  -2.649   2.376   0.828
   52    HB2  CYS   8           HB2      CYS   8  -2.474   0.391  -0.773
   53    HB3  CYS   8           HB3      CYS   8  -1.531   1.832  -1.129
   54    H    GLY   9           H        GLY   9  -1.033  -0.656   1.724
   55    HA2  GLY   9           HA2      GLY   9  -2.948  -1.188   3.714
   56    HA3  GLY   9           HA3      GLY   9  -3.391  -2.023   2.235
   57    H    GLY  10           H        GLY  10  -1.162  -1.763   4.813
   58    HA2  GLY  10           HA2      GLY  10   0.072  -4.290   4.029
   59    HA3  GLY  10           HA3      GLY  10   0.668  -3.204   5.289
   60    H    ILE  11           H        ILE  11   0.470  -5.639   6.226
   61    HA   ILE  11           HA       ILE  11  -2.073  -6.469   7.065
   62    HB   ILE  11           HB       ILE  11   0.638  -6.999   8.328
   63   HG12  ILE  11          HG12      ILE  11  -1.045  -8.720   6.488
   64   HG13  ILE  11          HG13      ILE  11   0.363  -7.790   5.988
   65   HG21  ILE  11          HG21      ILE  11  -2.001  -8.393   8.814
   66   HG22  ILE  11          HG22      ILE  11  -1.133  -7.382   9.968
   67   HG23  ILE  11          HG23      ILE  11  -0.437  -8.917   9.440
   68   HD11  ILE  11          HD11      ILE  11   0.355 -10.061   7.965
   69   HD12  ILE  11          HD12      ILE  11   1.772  -9.149   7.436
   70   HD13  ILE  11          HD13      ILE  11   0.888 -10.145   6.284
   71    H    GLY  12           H        GLY  12  -3.424  -5.439   8.315
   72    HA2  GLY  12           HA2      GLY  12  -3.959  -4.742  10.567
   73    HA3  GLY  12           HA3      GLY  12  -2.377  -3.982  10.647
   74    H    TYR  13           H        TYR  13  -3.053  -3.129   7.719
   75    HA   TYR  13           HA       TYR  13  -4.202  -0.599   8.611
   76    HB2  TYR  13           HB2      TYR  13  -2.081  -0.666   7.237
   77    HB3  TYR  13           HB3      TYR  13  -3.040  -1.273   5.893
   78    HD1  TYR  13           HD1      TYR  13  -4.555   0.212   4.690
   79    HD2  TYR  13           HD2      TYR  13  -2.254   1.634   7.960
   80    HE1  TYR  13           HE1      TYR  13  -5.065   2.507   4.033
   81    HE2  TYR  13           HE2      TYR  13  -2.755   3.953   7.318
   82    HH   TYR  13           HH       TYR  13  -5.176   4.788   5.251
   83    H    SER  14           H        SER  14  -6.334  -0.200   8.318
   84    HA   SER  14           HA       SER  14  -7.767  -1.859   6.370
   85    HB2  SER  14           HB2      SER  14  -9.709  -1.477   7.966
   86    HB3  SER  14           HB3      SER  14  -8.400  -2.503   8.560
   87    HG   SER  14           HG       SER  14  -8.653  -1.164  10.173
   88    H    GLY  15           H        GLY  15  -6.543   0.871   6.083
   89    HA2  GLY  15           HA2      GLY  15  -8.883   2.584   5.714
   90    HA3  GLY  15           HA3      GLY  15  -7.201   3.078   5.540
   91    HA   PRO  16           HA       PRO  16  -8.743   2.649   1.253
   92    HB2  PRO  16           HB2      PRO  16  -7.227   4.639   0.184
   93    HB3  PRO  16           HB3      PRO  16  -8.789   4.920   0.963
   94    HG2  PRO  16           HG2      PRO  16  -6.036   5.327   2.031
   95    HG3  PRO  16           HG3      PRO  16  -7.493   6.301   2.283
   96    HD2  PRO  16           HD2      PRO  16  -6.504   4.489   4.095
   97    HD3  PRO  16           HD3      PRO  16  -8.203   4.996   4.022
   98    H    THR  17           H        THR  17  -7.827   0.792   0.638
   99    HA   THR  17           HA       THR  17  -4.981   0.519   0.655
  100    HB   THR  17           HB       THR  17  -5.517  -1.863   0.052
  101    HG1  THR  17           HG1      THR  17  -7.448  -2.125  -0.701
  102   HG21  THR  17          HG21      THR  17  -5.219  -1.119   2.399
  103   HG22  THR  17          HG22      THR  17  -6.403  -2.423   2.273
  104   HG23  THR  17          HG23      THR  17  -6.938  -0.756   2.485
  105    H    VAL  18           H        VAL  18  -7.445   1.279  -1.551
  106    HA   VAL  18           HA       VAL  18  -6.038   0.424  -3.912
  107    HB   VAL  18           HB       VAL  18  -8.392   2.334  -3.664
  108   HG11  VAL  18          HG11      VAL  18  -7.175   2.650  -5.772
  109   HG12  VAL  18          HG12      VAL  18  -8.753   1.916  -6.056
  110   HG13  VAL  18          HG13      VAL  18  -7.298   0.921  -6.104
  111   HG21  VAL  18          HG21      VAL  18  -8.901   0.077  -2.855
  112   HG22  VAL  18          HG22      VAL  18  -8.339  -0.591  -4.395
  113   HG23  VAL  18          HG23      VAL  18  -9.763   0.443  -4.349
  114    H    CYS  19           H        CYS  19  -4.311   1.401  -4.658
  115    HA   CYS  19           HA       CYS  19  -3.546   4.025  -3.827
  116    HB2  CYS  19           HB2      CYS  19  -2.335   2.130  -5.835
  117    HB3  CYS  19           HB3      CYS  19  -1.603   3.640  -5.307
  118    H    ALA  20           H        ALA  20  -3.040   5.746  -5.263
  119    HA   ALA  20           HA       ALA  20  -5.126   6.367  -7.031
  120    HB1  ALA  20           HB1      ALA  20  -3.879   8.413  -7.467
  121    HB2  ALA  20           HB2      ALA  20  -2.450   7.723  -6.699
  122    HB3  ALA  20           HB3      ALA  20  -3.889   8.055  -5.739
  123    H    SER  21           H        SER  21  -4.651   7.203  -9.258
  124    HA   SER  21           HA       SER  21  -4.027   5.090 -10.905
  125    HB2  SER  21           HB2      SER  21  -4.216   7.045 -12.613
  126    HB3  SER  21           HB3      SER  21  -5.627   6.591 -11.647
  127    HG   SER  21           HG       SER  21  -3.789   8.673 -11.134
  128    H    GLY  22           H        GLY  22  -2.092   4.368 -11.466
  129    HA2  GLY  22           HA2      GLY  22  -0.060   4.718 -12.644
  130    HA3  GLY  22           HA3      GLY  22   0.067   6.301 -11.893
  131    H    THR  23           H        THR  23  -0.922   4.537  -9.405
  132    HA   THR  23           HA       THR  23   1.834   3.828  -8.705
  133    HB   THR  23           HB       THR  23   1.340   4.444  -6.359
  134    HG1  THR  23           HG1      THR  23  -1.225   4.858  -7.431
  135   HG21  THR  23          HG21      THR  23   2.305   6.139  -7.836
  136   HG22  THR  23          HG22      THR  23   1.221   6.869  -6.646
  137   HG23  THR  23          HG23      THR  23   0.682   6.645  -8.309
  138    H    THR  24           H        THR  24   2.192   1.869  -7.764
  139    HA   THR  24           HA       THR  24  -0.153   0.132  -7.548
  140    HB   THR  24           HB       THR  24   1.536  -1.750  -7.704
  141    HG1  THR  24           HG1      THR  24   3.282   0.412  -7.774
  142   HG21  THR  24          HG21      THR  24   1.425   0.164 -10.040
  143   HG22  THR  24          HG22      THR  24   0.232  -1.076  -9.661
  144   HG23  THR  24          HG23      THR  24   1.867  -1.540 -10.141
  145    H    CYS  25           H        CYS  25  -0.461  -1.077  -5.664
  146    HA   CYS  25           HA       CYS  25   0.796  -0.004  -3.327
  147    HB2  CYS  25           HB2      CYS  25  -1.592  -0.644  -3.264
  148    HB3  CYS  25           HB3      CYS  25  -1.166  -2.309  -3.625
  149    H    GLN  26           H        GLN  26   2.845  -0.545  -3.090
  150    HA   GLN  26           HA       GLN  26   3.642  -3.273  -3.699
  151    HB2  GLN  26           HB2      GLN  26   5.315  -0.822  -3.178
  152    HB3  GLN  26           HB3      GLN  26   5.937  -2.410  -3.593
  153    HG2  GLN  26           HG2      GLN  26   4.715  -2.271  -5.747
  154    HG3  GLN  26           HG3      GLN  26   4.246  -0.628  -5.322
  155   HE21  GLN  26          HE21      GLN  26   5.324   0.272  -7.049
  156   HE22  GLN  26          HE22      GLN  26   7.041   0.353  -7.119
  157    H    VAL  27           H        VAL  27   3.798  -4.610  -2.150
  158    HA   VAL  27           HA       VAL  27   3.737  -3.846   0.608
  159    HB   VAL  27           HB       VAL  27   4.220  -6.570  -0.670
  160   HG11  VAL  27          HG11      VAL  27   3.419  -5.891   2.154
  161   HG12  VAL  27          HG12      VAL  27   4.981  -6.525   1.635
  162   HG13  VAL  27          HG13      VAL  27   3.528  -7.515   1.476
  163   HG21  VAL  27          HG21      VAL  27   2.067  -5.664  -1.335
  164   HG22  VAL  27          HG22      VAL  27   1.657  -5.355   0.355
  165   HG23  VAL  27          HG23      VAL  27   1.849  -7.011  -0.214
  166    H    LEU  28           H        LEU  28   5.551  -2.805   1.231
  167    HA   LEU  28           HA       LEU  28   8.173  -3.612   0.265
  168    HB2  LEU  28           HB2      LEU  28   7.534  -1.581   2.405
  169    HB3  LEU  28           HB3      LEU  28   9.043  -1.754   1.535
  170    HG   LEU  28           HG       LEU  28   6.429  -0.700   0.467
  171   HD11  LEU  28          HD11      LEU  28   9.121   0.584   0.810
  172   HD12  LEU  28          HD12      LEU  28   7.714   0.831   1.838
  173   HD13  LEU  28          HD13      LEU  28   7.675   1.352   0.152
  174   HD21  LEU  28          HD21      LEU  28   7.607  -0.295  -1.631
  175   HD22  LEU  28          HD22      LEU  28   7.484  -2.021  -1.283
  176   HD23  LEU  28          HD23      LEU  28   9.012  -1.167  -1.018
  177    H    ASN  29           H        ASN  29   6.305  -3.613   3.185
  178    HA   ASN  29           HA       ASN  29   8.037  -5.674   4.333
  179    HB2  ASN  29           HB2      ASN  29   6.757  -3.322   5.786
  180    HB3  ASN  29           HB3      ASN  29   7.542  -4.689   6.563
  181   HD21  ASN  29          HD21      ASN  29   7.997  -1.758   4.772
  182   HD22  ASN  29          HD22      ASN  29   9.685  -1.595   5.068
  183    HA   PRO  30           HA       PRO  30   4.129  -7.734   4.736
  184    HB2  PRO  30           HB2      PRO  30   4.515  -8.013   7.676
  185    HB3  PRO  30           HB3      PRO  30   4.207  -9.263   6.465
  186    HG2  PRO  30           HG2      PRO  30   6.629  -9.000   7.503
  187    HG3  PRO  30           HG3      PRO  30   6.432  -9.329   5.773
  188    HD2  PRO  30           HD2      PRO  30   7.048  -6.740   7.149
  189    HD3  PRO  30           HD3      PRO  30   7.747  -7.387   5.656
  190    H    TYR  31           H        TYR  31   4.802  -5.321   7.231
  191    HA   TYR  31           HA       TYR  31   1.926  -4.847   7.451
  192    HB2  TYR  31           HB2      TYR  31   4.158  -3.751   9.186
  193    HB3  TYR  31           HB3      TYR  31   2.428  -3.598   9.469
  194    HD1  TYR  31           HD1      TYR  31   1.102  -5.604  10.070
  195    HD2  TYR  31           HD2      TYR  31   5.337  -5.738   9.791
  196    HE1  TYR  31           HE1      TYR  31   1.108  -7.727  11.292
  197    HE2  TYR  31           HE2      TYR  31   5.355  -7.863  11.027
  198    HH   TYR  31           HH       TYR  31   3.848  -9.080  12.633
  199    H    TYR  32           H        TYR  32   4.851  -3.385   6.235
  200    HA   TYR  32           HA       TYR  32   3.308  -0.957   5.740
  201    HB2  TYR  32           HB2      TYR  32   5.599  -0.654   6.831
  202    HB3  TYR  32           HB3      TYR  32   6.279  -1.253   5.336
  203    HD1  TYR  32           HD1      TYR  32   6.814   0.207   3.626
  204    HD2  TYR  32           HD2      TYR  32   3.965   1.401   6.537
  205    HE1  TYR  32           HE1      TYR  32   6.692   2.432   2.585
  206    HE2  TYR  32           HE2      TYR  32   3.836   3.634   5.516
  207    HH   TYR  32           HH       TYR  32   5.225   5.090   4.090
  208    H    SER  33           H        SER  33   2.305  -0.892   3.907
  209    HA   SER  33           HA       SER  33   3.666  -1.817   1.488
  210    HB2  SER  33           HB2      SER  33   0.693  -1.592   2.067
  211    HB3  SER  33           HB3      SER  33   1.389  -2.182   0.565
  212    HG   SER  33           HG       SER  33   0.717  -3.827   2.054
  213    H    GLN  34           H        GLN  34   3.761  -0.265  -0.169
  214    HA   GLN  34           HA       GLN  34   2.743   2.396   0.553
  215    HB2  GLN  34           HB2      GLN  34   5.115   2.200   1.142
  216    HB3  GLN  34           HB3      GLN  34   5.485   1.720  -0.504
  217    HG2  GLN  34           HG2      GLN  34   4.823   3.894  -1.316
  218    HG3  GLN  34           HG3      GLN  34   4.346   4.378   0.313
  219   HE21  GLN  34          HE21      GLN  34   5.971   4.774   1.836
  220   HE22  GLN  34          HE22      GLN  34   7.597   5.080   1.355
  221    H    CYS  35           H        CYS  35   1.926   3.557  -1.105
  222    HA   CYS  35           HA       CYS  35   1.505   2.264  -3.627
  223    HB2  CYS  35           HB2      CYS  35   0.826   5.074  -2.743
  224    HB3  CYS  35           HB3      CYS  35   0.320   4.339  -4.257
  225    H    LEU  36           H        LEU  36   3.139   2.083  -4.919
  226    HA   LEU  36           HA       LEU  36   4.631   4.489  -5.621
  227    HB2  LEU  36           HB2      LEU  36   5.694   1.688  -5.319
  228    HB3  LEU  36           HB3      LEU  36   6.571   2.972  -6.120
  229    HG   LEU  36           HG       LEU  36   5.748   3.004  -3.216
  230   HD11  LEU  36          HD11      LEU  36   8.112   2.618  -2.756
  231   HD12  LEU  36          HD12      LEU  36   8.436   2.475  -4.484
  232   HD13  LEU  36          HD13      LEU  36   7.422   1.279  -3.672
  233   HD21  LEU  36          HD21      LEU  36   7.297   4.912  -3.079
  234   HD22  LEU  36          HD22      LEU  36   5.953   5.245  -4.164
  235   HD23  LEU  36          HD23      LEU  36   7.537   4.833  -4.823
  236    H1   MAN 101           H1       MAN 101  -6.312   8.296  -6.758
  237    H2   MAN 101           H2       MAN 101  -7.855  10.557  -5.555
  238    H3   MAN 101           H3       MAN 101  -9.120  10.642  -7.531
  239    H4   MAN 101           H4       MAN 101  -6.544   9.814  -8.938
  240    H5   MAN 101           H5       MAN 101  -9.180   8.304  -9.123
  241    H61  MAN 101           H61      MAN 101  -6.212   7.678  -9.012
  242    H62  MAN 101           H62      MAN 101  -7.314   7.432 -10.373
  243    HO2  MAN 101           HO2      MAN 101  -6.128  11.630  -6.546
  244    HO3  MAN 101           HO3      MAN 101  -8.096  12.331  -8.719
  245    HO4  MAN 101           HO4      MAN 101  -9.115  10.560  -9.959
  246    HO6  MAN 101           HO6      MAN 101  -8.403   6.112  -8.375
  Start of MODEL    3
    1    H1   THR   1           H1       THR   1  -8.532   7.675  -2.299
    2    H2   THR   1           H2       THR   1  -8.650   6.293  -1.366
    3    H3   THR   1           H3       THR   1  -9.308   6.301  -2.917
    4    HA   THR   1           HA       THR   1  -7.239   5.107  -2.886
    5    HB   THR   1           HB       THR   1  -5.908   6.577  -4.456
    6   HG21  THR   1          HG21      THR   1  -7.626   6.383  -6.254
    7   HG22  THR   1          HG22      THR   1  -8.862   6.148  -5.014
    8   HG23  THR   1          HG23      THR   1  -7.593   4.952  -5.227
    9    H    GLN   2           H        GLN   2  -5.129   4.960  -2.310
   10    HA   GLN   2           HA       GLN   2  -4.202   6.801  -0.285
   11    HB2  GLN   2           HB2      GLN   2  -3.921   4.319  -0.030
   12    HB3  GLN   2           HB3      GLN   2  -2.868   4.336  -1.437
   13    HG2  GLN   2           HG2      GLN   2  -1.473   4.314   0.503
   14    HG3  GLN   2           HG3      GLN   2  -1.369   5.906  -0.234
   15   HE21  GLN   2          HE21      GLN   2  -4.001   4.694   1.731
   16   HE22  GLN   2          HE22      GLN   2  -3.799   5.780   3.039
   17    H    SER   3           H        SER   3  -2.370   8.040  -0.583
   18    HA   SER   3           HA       SER   3  -1.868   8.754  -3.330
   19    HB2  SER   3           HB2      SER   3  -0.796   9.964  -0.780
   20    HB3  SER   3           HB3      SER   3  -0.775  10.693  -2.390
   21    HG   SER   3           HG       SER   3  -3.153   9.832  -1.177
   22    H    HIS   4           H        HIS   4   0.336   9.122  -4.051
   23    HA   HIS   4           HA       HIS   4   1.975   6.862  -3.974
   24    HB2  HIS   4           HB2      HIS   4   1.805   8.662  -5.752
   25    HB3  HIS   4           HB3      HIS   4   2.746   9.695  -4.696
   26    HD1  HIS   4           HD1      HIS   4   4.891   9.926  -5.952
   27    HD2  HIS   4           HD2      HIS   4   3.596   5.997  -5.783
   28    HE1  HIS   4           HE1      HIS   4   6.639   8.600  -7.132
   29    HE2  HIS   4           HE2      HIS   4   5.701   6.292  -7.249
   30    H    TYR   5           H        TYR   5   3.595   6.271  -2.637
   31    HA   TYR   5           HA       TYR   5   5.083   6.201  -0.999
   32    HB2  TYR   5           HB2      TYR   5   4.985   9.190  -1.201
   33    HB3  TYR   5           HB3      TYR   5   5.828   8.430   0.145
   34    HD1  TYR   5           HD1      TYR   5   7.953   7.568  -0.120
   35    HD2  TYR   5           HD2      TYR   5   5.739   8.648  -3.558
   36    HE1  TYR   5           HE1      TYR   5   9.985   7.301  -1.490
   37    HE2  TYR   5           HE2      TYR   5   7.756   8.387  -4.947
   38    HH   TYR   5           HH       TYR   5  10.603   6.884  -3.805
   39    H    GLY   6           H        GLY   6   2.042   6.558  -0.588
   40    HA2  GLY   6           HA2      GLY   6   2.178   6.816   2.327
   41    HA3  GLY   6           HA3      GLY   6   0.713   6.890   1.348
   42    H    GLN   7           H        GLN   7   1.096   5.188   3.603
   43    HA   GLN   7           HA       GLN   7   1.647   2.543   2.665
   44    HB2  GLN   7           HB2      GLN   7   1.888   3.362   5.095
   45    HB3  GLN   7           HB3      GLN   7   0.133   3.254   5.182
   46    HG2  GLN   7           HG2      GLN   7   0.260   0.861   4.655
   47    HG3  GLN   7           HG3      GLN   7   2.014   0.972   4.600
   48   HE21  GLN   7          HE21      GLN   7  -0.736   0.835   6.578
   49   HE22  GLN   7          HE22      GLN   7   0.054   0.698   8.102
   50    H    CYS   8           H        CYS   8   0.349   1.623   1.265
   51    HA   CYS   8           HA       CYS   8  -2.329   2.457   0.832
   52    HB2  CYS   8           HB2      CYS   8  -2.269   0.437  -0.774
   53    HB3  CYS   8           HB3      CYS   8  -1.230   1.818  -1.108
   54    H    GLY   9           H        GLY   9  -1.125  -0.778   1.646
   55    HA2  GLY   9           HA2      GLY   9  -3.172  -1.032   3.611
   56    HA3  GLY   9           HA3      GLY   9  -3.590  -1.867   2.131
   57    H    GLY  10           H        GLY  10  -0.967  -1.537   4.439
   58    HA2  GLY  10           HA2      GLY  10  -0.073  -4.233   3.883
   59    HA3  GLY  10           HA3      GLY  10   0.615  -3.131   5.079
   60    H    ILE  11           H        ILE  11   0.373  -5.485   6.137
   61    HA   ILE  11           HA       ILE  11  -2.145  -6.326   7.016
   62    HB   ILE  11           HB       ILE  11   0.559  -6.736   8.342
   63   HG12  ILE  11          HG12      ILE  11  -1.025  -8.524   6.473
   64   HG13  ILE  11          HG13      ILE  11   0.408  -7.604   6.039
   65   HG21  ILE  11          HG21      ILE  11  -0.483  -8.648   9.488
   66   HG22  ILE  11          HG22      ILE  11  -2.045  -8.203   8.801
   67   HG23  ILE  11          HG23      ILE  11  -1.245  -7.122   9.942
   68   HD11  ILE  11          HD11      ILE  11   0.933  -9.944   6.389
   69   HD12  ILE  11          HD12      ILE  11   0.286  -9.863   8.028
   70   HD13  ILE  11          HD13      ILE  11   1.728  -8.939   7.601
   71    H    GLY  12           H        GLY  12  -3.535  -5.312   8.249
   72    HA2  GLY  12           HA2      GLY  12  -4.102  -4.533  10.454
   73    HA3  GLY  12           HA3      GLY  12  -2.529  -3.751  10.533
   74    H    TYR  13           H        TYR  13  -3.384  -3.155   7.505
   75    HA   TYR  13           HA       TYR  13  -4.730  -0.642   8.236
   76    HB2  TYR  13           HB2      TYR  13  -2.404  -0.636   7.135
   77    HB3  TYR  13           HB3      TYR  13  -3.207  -1.215   5.688
   78    HD1  TYR  13           HD1      TYR  13  -2.397   1.631   7.722
   79    HD2  TYR  13           HD2      TYR  13  -4.909   0.301   4.569
   80    HE1  TYR  13           HE1      TYR  13  -2.804   3.959   7.087
   81    HE2  TYR  13           HE2      TYR  13  -5.347   2.644   3.930
   82    HH   TYR  13           HH       TYR  13  -3.487   5.226   5.209
   83    H    SER  14           H        SER  14  -6.792  -0.361   7.495
   84    HA   SER  14           HA       SER  14  -7.681  -2.028   5.258
   85    HB2  SER  14           HB2      SER  14  -9.888  -2.242   6.493
   86    HB3  SER  14           HB3      SER  14  -8.533  -3.144   7.178
   87    HG   SER  14           HG       SER  14  -9.630  -0.684   8.041
   88    H    GLY  15           H        GLY  15  -7.094   0.997   6.086
   89    HA2  GLY  15           HA2      GLY  15  -9.538   2.349   5.386
   90    HA3  GLY  15           HA3      GLY  15  -7.959   3.073   5.598
   91    HA   PRO  16           HA       PRO  16  -8.483   3.496   1.117
   92    HB2  PRO  16           HB2      PRO  16  -6.433   5.301   0.812
   93    HB3  PRO  16           HB3      PRO  16  -8.092   5.739   1.218
   94    HG2  PRO  16           HG2      PRO  16  -5.712   5.498   2.987
   95    HG3  PRO  16           HG3      PRO  16  -7.056   6.648   3.065
   96    HD2  PRO  16           HD2      PRO  16  -6.821   4.465   4.707
   97    HD3  PRO  16           HD3      PRO  16  -8.371   5.206   4.265
   98    H    THR  17           H        THR  17  -7.801   1.399   0.845
   99    HA   THR  17           HA       THR  17  -5.045   0.656   0.922
  100    HB   THR  17           HB       THR  17  -6.088  -1.559   0.186
  101    HG1  THR  17           HG1      THR  17  -8.281  -1.686   0.212
  102   HG21  THR  17          HG21      THR  17  -5.486  -1.056   2.532
  103   HG22  THR  17          HG22      THR  17  -6.973  -2.001   2.441
  104   HG23  THR  17          HG23      THR  17  -7.049  -0.267   2.750
  105    H    VAL  18           H        VAL  18  -7.413   1.498  -1.474
  106    HA   VAL  18           HA       VAL  18  -5.889   0.435  -3.688
  107    HB   VAL  18           HB       VAL  18  -8.316   2.269  -3.697
  108   HG11  VAL  18          HG11      VAL  18  -8.576   1.620  -6.053
  109   HG12  VAL  18          HG12      VAL  18  -7.063   0.719  -5.965
  110   HG13  VAL  18          HG13      VAL  18  -7.058   2.473  -5.776
  111   HG21  VAL  18          HG21      VAL  18  -8.123  -0.710  -4.143
  112   HG22  VAL  18          HG22      VAL  18  -9.593   0.260  -4.263
  113   HG23  VAL  18          HG23      VAL  18  -8.780   0.075  -2.709
  114    H    CYS  19           H        CYS  19  -4.395   1.509  -4.819
  115    HA   CYS  19           HA       CYS  19  -3.551   4.071  -3.839
  116    HB2  CYS  19           HB2      CYS  19  -2.411   2.262  -5.959
  117    HB3  CYS  19           HB3      CYS  19  -1.653   3.744  -5.391
  118    H    ALA  20           H        ALA  20  -2.871   5.766  -5.361
  119    HA   ALA  20           HA       ALA  20  -5.020   6.644  -6.978
  120    HB1  ALA  20           HB1      ALA  20  -3.589   8.557  -7.467
  121    HB2  ALA  20           HB2      ALA  20  -2.196   7.697  -6.816
  122    HB3  ALA  20           HB3      ALA  20  -3.512   8.169  -5.745
  123    H    SER  21           H        SER  21  -4.944   7.120  -9.235
  124    HA   SER  21           HA       SER  21  -4.293   5.061 -10.909
  125    HB2  SER  21           HB2      SER  21  -4.598   6.858 -12.717
  126    HB3  SER  21           HB3      SER  21  -5.936   6.593 -11.604
  127    HG   SER  21           HG       SER  21  -4.003   8.670 -11.536
  128    H    GLY  22           H        GLY  22  -2.364   4.254 -11.368
  129    HA2  GLY  22           HA2      GLY  22  -0.418   4.525 -12.752
  130    HA3  GLY  22           HA3      GLY  22  -0.204   6.128 -12.055
  131    H    THR  23           H        THR  23  -1.098   4.608  -9.459
  132    HA   THR  23           HA       THR  23   1.623   3.696  -8.871
  133    HB   THR  23           HB       THR  23   1.269   4.420  -6.523
  134    HG1  THR  23           HG1      THR  23  -1.289   4.995  -7.526
  135   HG21  THR  23          HG21      THR  23   0.745   6.592  -8.551
  136   HG22  THR  23          HG22      THR  23   2.326   5.962  -8.087
  137   HG23  THR  23          HG23      THR  23   1.349   6.837  -6.912
  138    H    THR  24           H        THR  24   1.876   1.796  -7.687
  139    HA   THR  24           HA       THR  24  -0.595   0.288  -7.295
  140    HB   THR  24           HB       THR  24   0.945  -1.750  -7.578
  141    HG1  THR  24           HG1      THR  24   2.776   0.214  -7.951
  142   HG21  THR  24          HG21      THR  24   0.709  -1.700 -10.040
  143   HG22  THR  24          HG22      THR  24   0.349   0.024  -9.955
  144   HG23  THR  24          HG23      THR  24  -0.751  -1.140  -9.225
  145    H    CYS  25           H        CYS  25  -0.612  -1.193  -5.518
  146    HA   CYS  25           HA       CYS  25   0.750  -0.090  -3.242
  147    HB2  CYS  25           HB2      CYS  25  -1.624  -0.806  -3.090
  148    HB3  CYS  25           HB3      CYS  25  -1.146  -2.458  -3.455
  149    H    GLN  26           H        GLN  26   2.863  -0.612  -3.092
  150    HA   GLN  26           HA       GLN  26   3.585  -3.348  -3.758
  151    HB2  GLN  26           HB2      GLN  26   5.382  -0.934  -3.495
  152    HB3  GLN  26           HB3      GLN  26   5.908  -2.554  -3.930
  153    HG2  GLN  26           HG2      GLN  26   4.393  -2.425  -5.918
  154    HG3  GLN  26           HG3      GLN  26   4.118  -0.732  -5.517
  155   HE21  GLN  26          HE21      GLN  26   5.026   0.050  -7.368
  156   HE22  GLN  26          HE22      GLN  26   6.705  -0.053  -7.731
  157    H    VAL  27           H        VAL  27   4.328  -4.684  -2.334
  158    HA   VAL  27           HA       VAL  27   4.094  -4.009   0.452
  159    HB   VAL  27           HB       VAL  27   4.983  -6.622  -0.820
  160   HG11  VAL  27          HG11      VAL  27   4.278  -7.658   1.279
  161   HG12  VAL  27          HG12      VAL  27   3.887  -6.067   1.928
  162   HG13  VAL  27          HG13      VAL  27   5.557  -6.469   1.539
  163   HG21  VAL  27          HG21      VAL  27   2.213  -5.750  -0.010
  164   HG22  VAL  27          HG22      VAL  27   2.654  -7.375  -0.531
  165   HG23  VAL  27          HG23      VAL  27   2.781  -6.020  -1.656
  166    H    LEU  28           H        LEU  28   5.769  -2.819   1.226
  167    HA   LEU  28           HA       LEU  28   8.493  -3.450   0.396
  168    HB2  LEU  28           HB2      LEU  28   7.598  -1.372   2.395
  169    HB3  LEU  28           HB3      LEU  28   9.173  -1.497   1.658
  170    HG   LEU  28           HG       LEU  28   6.604  -0.589   0.372
  171   HD11  LEU  28          HD11      LEU  28   7.831   1.467  -0.003
  172   HD12  LEU  28          HD12      LEU  28   9.251   0.766   0.763
  173   HD13  LEU  28          HD13      LEU  28   7.801   1.054   1.713
  174   HD21  LEU  28          HD21      LEU  28   7.866  -0.273  -1.681
  175   HD22  LEU  28          HD22      LEU  28   7.778  -1.984  -1.245
  176   HD23  LEU  28          HD23      LEU  28   9.264  -1.064  -0.955
  177    H    ASN  29           H        ASN  29   6.378  -3.613   3.135
  178    HA   ASN  29           HA       ASN  29   8.123  -5.529   4.454
  179    HB2  ASN  29           HB2      ASN  29   6.856  -3.093   5.786
  180    HB3  ASN  29           HB3      ASN  29   7.485  -4.484   6.648
  181   HD21  ASN  29          HD21      ASN  29   8.284  -1.609   4.880
  182   HD22  ASN  29          HD22      ASN  29   9.948  -1.606   5.279
  183    HA   PRO  30           HA       PRO  30   4.239  -7.659   5.036
  184    HB2  PRO  30           HB2      PRO  30   4.651  -7.583   7.988
  185    HB3  PRO  30           HB3      PRO  30   4.306  -8.965   6.942
  186    HG2  PRO  30           HG2      PRO  30   6.743  -8.624   7.879
  187    HG3  PRO  30           HG3      PRO  30   6.513  -9.111   6.191
  188    HD2  PRO  30           HD2      PRO  30   7.174  -6.426   7.318
  189    HD3  PRO  30           HD3      PRO  30   7.837  -7.206   5.871
  190    H    TYR  31           H        TYR  31   4.792  -5.157   7.511
  191    HA   TYR  31           HA       TYR  31   1.926  -4.626   7.535
  192    HB2  TYR  31           HB2      TYR  31   4.132  -3.425   9.223
  193    HB3  TYR  31           HB3      TYR  31   2.415  -3.119   9.412
  194    HD1  TYR  31           HD1      TYR  31   5.147  -5.429  10.067
  195    HD2  TYR  31           HD2      TYR  31   0.945  -4.876  10.302
  196    HE1  TYR  31           HE1      TYR  31   4.998  -7.295  11.662
  197    HE2  TYR  31           HE2      TYR  31   0.783  -6.734  11.887
  198    HH   TYR  31           HH       TYR  31   2.074  -8.731  12.455
  199    H    TYR  32           H        TYR  32   4.876  -3.275   6.260
  200    HA   TYR  32           HA       TYR  32   3.395  -0.824   5.657
  201    HB2  TYR  32           HB2      TYR  32   5.752  -0.619   6.733
  202    HB3  TYR  32           HB3      TYR  32   6.352  -1.207   5.201
  203    HD1  TYR  32           HD1      TYR  32   4.329   1.520   6.657
  204    HD2  TYR  32           HD2      TYR  32   6.716   0.232   3.401
  205    HE1  TYR  32           HE1      TYR  32   4.237   3.780   5.712
  206    HE2  TYR  32           HE2      TYR  32   6.637   2.493   2.443
  207    HH   TYR  32           HH       TYR  32   5.405   5.183   4.207
  208    H    SER  33           H        SER  33   2.413  -0.844   3.818
  209    HA   SER  33           HA       SER  33   3.830  -1.865   1.464
  210    HB2  SER  33           HB2      SER  33   0.836  -1.768   1.981
  211    HB3  SER  33           HB3      SER  33   1.594  -2.381   0.516
  212    HG   SER  33           HG       SER  33   2.656  -3.602   2.658
  213    H    GLN  34           H        GLN  34   3.984  -0.314  -0.187
  214    HA   GLN  34           HA       GLN  34   2.834   2.304   0.516
  215    HB2  GLN  34           HB2      GLN  34   5.221   2.169   1.052
  216    HB3  GLN  34           HB3      GLN  34   5.577   1.743  -0.613
  217    HG2  GLN  34           HG2      GLN  34   4.830   3.925  -1.363
  218    HG3  GLN  34           HG3      GLN  34   4.347   4.340   0.282
  219   HE21  GLN  34          HE21      GLN  34   5.959   4.795   1.787
  220   HE22  GLN  34          HE22      GLN  34   7.563   5.177   1.300
  221    H    CYS  35           H        CYS  35   1.959   3.460  -1.105
  222    HA   CYS  35           HA       CYS  35   1.509   2.191  -3.619
  223    HB2  CYS  35           HB2      CYS  35   0.889   4.998  -2.716
  224    HB3  CYS  35           HB3      CYS  35   0.414   4.335  -4.271
  225    H    LEU  36           H        LEU  36   3.001   1.967  -4.988
  226    HA   LEU  36           HA       LEU  36   4.600   4.229  -5.851
  227    HB2  LEU  36           HB2      LEU  36   5.559   1.393  -5.384
  228    HB3  LEU  36           HB3      LEU  36   6.485   2.629  -6.201
  229    HG   LEU  36           HG       LEU  36   5.625   2.772  -3.306
  230   HD11  LEU  36          HD11      LEU  36   7.966   2.338  -2.793
  231   HD12  LEU  36          HD12      LEU  36   8.309   2.101  -4.509
  232   HD13  LEU  36          HD13      LEU  36   7.241   0.985  -3.659
  233   HD21  LEU  36          HD21      LEU  36   7.223   4.631  -3.194
  234   HD22  LEU  36          HD22      LEU  36   5.914   4.970  -4.319
  235   HD23  LEU  36          HD23      LEU  36   7.502   4.495  -4.929
  236    H1   MAN 101           H1       MAN 101  -5.916   8.520  -5.813
  237    H2   MAN 101           H2       MAN 101  -7.593  10.747  -4.615
  238    H3   MAN 101           H3       MAN 101  -6.333  12.243  -6.062
  239    H4   MAN 101           H4       MAN 101  -7.244  11.514  -8.295
  240    H5   MAN 101           H5       MAN 101  -8.610   9.334  -8.253
  241    H61  MAN 101           H61      MAN 101  -5.580   9.227  -7.939
  242    H62  MAN 101           H62      MAN 101  -6.529   9.165  -9.427
  243    HO2  MAN 101           HO2      MAN 101  -5.517  11.420  -3.922
  244    HO3  MAN 101           HO3      MAN 101  -4.457  10.917  -6.189
  245    HO4  MAN 101           HO4      MAN 101  -8.583  12.429  -6.603
  246    HO6  MAN 101           HO6      MAN 101  -7.530   7.209  -8.112
  Start of MODEL    4
    1    H1   THR   1           H1       THR   1  -9.370   7.165  -3.320
    2    H2   THR   1           H2       THR   1  -8.292   8.391  -2.858
    3    H3   THR   1           H3       THR   1  -8.721   7.202  -1.762
    4    HA   THR   1           HA       THR   1  -7.616   5.540  -3.109
    5    HB   THR   1           HB       THR   1  -6.019   6.417  -4.812
    6   HG21  THR   1          HG21      THR   1  -7.728   6.702  -6.599
    7   HG22  THR   1          HG22      THR   1  -8.942   7.048  -5.375
    8   HG23  THR   1          HG23      THR   1  -8.218   5.446  -5.466
    9    H    GLN   2           H        GLN   2  -5.398   5.116  -2.552
   10    HA   GLN   2           HA       GLN   2  -4.428   6.931  -0.553
   11    HB2  GLN   2           HB2      GLN   2  -4.324   4.434  -0.230
   12    HB3  GLN   2           HB3      GLN   2  -3.144   4.368  -1.537
   13    HG2  GLN   2           HG2      GLN   2  -2.081   4.350   0.679
   14    HG3  GLN   2           HG3      GLN   2  -1.616   5.756  -0.283
   15   HE21  GLN   2          HE21      GLN   2  -3.360   4.653   2.466
   16   HE22  GLN   2          HE22      GLN   2  -3.663   6.202   3.170
   17    H    SER   3           H        SER   3  -2.556   8.054  -0.692
   18    HA   SER   3           HA       SER   3  -2.041   9.019  -3.335
   19    HB2  SER   3           HB2      SER   3  -0.858   9.852  -0.693
   20    HB3  SER   3           HB3      SER   3  -0.877  10.788  -2.190
   21    HG   SER   3           HG       SER   3  -2.809  10.484  -0.295
   22    H    HIS   4           H        HIS   4   0.222   9.450  -3.996
   23    HA   HIS   4           HA       HIS   4   1.774   7.085  -4.081
   24    HB2  HIS   4           HB2      HIS   4   1.655   8.894  -5.854
   25    HB3  HIS   4           HB3      HIS   4   2.591   9.921  -4.786
   26    HD1  HIS   4           HD1      HIS   4   4.809  10.110  -5.868
   27    HD2  HIS   4           HD2      HIS   4   3.387   6.214  -5.956
   28    HE1  HIS   4           HE1      HIS   4   6.606   8.755  -6.985
   29    HE2  HIS   4           HE2      HIS   4   5.702   6.416  -7.068
   30    H    TYR   5           H        TYR   5   3.335   6.421  -2.745
   31    HA   TYR   5           HA       TYR   5   4.761   6.223  -1.081
   32    HB2  TYR   5           HB2      TYR   5   4.735   9.247  -0.889
   33    HB3  TYR   5           HB3      TYR   5   5.703   8.225   0.164
   34    HD1  TYR   5           HD1      TYR   5   7.271   6.527  -1.089
   35    HD2  TYR   5           HD2      TYR   5   5.692  10.071  -2.824
   36    HE1  TYR   5           HE1      TYR   5   9.083   6.513  -2.748
   37    HE2  TYR   5           HE2      TYR   5   7.494  10.063  -4.486
   38    HH   TYR   5           HH       TYR   5   9.790   9.158  -4.677
   39    H    GLY   6           H        GLY   6   1.728   6.708  -0.828
   40    HA2  GLY   6           HA2      GLY   6   1.602   6.991   2.065
   41    HA3  GLY   6           HA3      GLY   6   0.234   6.866   0.957
   42    H    GLN   7           H        GLN   7   0.387   5.353   3.263
   43    HA   GLN   7           HA       GLN   7   1.377   2.719   2.599
   44    HB2  GLN   7           HB2      GLN   7   1.327   3.772   4.946
   45    HB3  GLN   7           HB3      GLN   7  -0.406   3.494   4.900
   46    HG2  GLN   7           HG2      GLN   7  -0.052   1.097   4.734
   47    HG3  GLN   7           HG3      GLN   7   1.693   1.342   4.704
   48   HE21  GLN   7          HE21      GLN   7   0.208  -0.211   6.641
   49   HE22  GLN   7          HE22      GLN   7   0.464   0.534   8.161
   50    H    CYS   8           H        CYS   8   0.243   1.596   1.163
   51    HA   CYS   8           HA       CYS   8  -2.482   2.205   0.579
   52    HB2  CYS   8           HB2      CYS   8  -2.257   0.248  -1.018
   53    HB3  CYS   8           HB3      CYS   8  -1.185   1.619  -1.280
   54    H    GLY   9           H        GLY   9  -1.007  -0.876   1.595
   55    HA2  GLY   9           HA2      GLY   9  -3.006  -1.323   3.529
   56    HA3  GLY   9           HA3      GLY   9  -3.429  -2.117   2.017
   57    H    GLY  10           H        GLY  10  -1.180  -1.966   4.610
   58    HA2  GLY  10           HA2      GLY  10  -0.071  -4.521   3.737
   59    HA3  GLY  10           HA3      GLY  10   0.600  -3.491   5.003
   60    H    ILE  11           H        ILE  11   0.477  -5.717   6.068
   61    HA   ILE  11           HA       ILE  11  -2.038  -6.671   6.905
   62    HB   ILE  11           HB       ILE  11   0.735  -7.099   8.051
   63   HG12  ILE  11          HG12      ILE  11  -0.975  -8.849   6.274
   64   HG13  ILE  11          HG13      ILE  11   0.380  -7.869   5.730
   65   HG21  ILE  11          HG21      ILE  11  -0.207  -9.051   9.210
   66   HG22  ILE  11          HG22      ILE  11  -1.813  -8.596   8.640
   67   HG23  ILE  11          HG23      ILE  11  -0.948  -7.546   9.762
   68   HD11  ILE  11          HD11      ILE  11   1.010 -10.190   5.958
   69   HD12  ILE  11          HD12      ILE  11   0.501 -10.180   7.644
   70   HD13  ILE  11          HD13      ILE  11   1.879  -9.202   7.134
   71    H    GLY  12           H        GLY  12  -3.371  -5.853   8.375
   72    HA2  GLY  12           HA2      GLY  12  -3.988  -4.992  10.463
   73    HA3  GLY  12           HA3      GLY  12  -2.310  -4.558  10.751
   74    H    TYR  13           H        TYR  13  -3.712  -3.621   7.772
   75    HA   TYR  13           HA       TYR  13  -3.913  -0.856   8.758
   76    HB2  TYR  13           HB2      TYR  13  -2.175  -1.300   7.004
   77    HB3  TYR  13           HB3      TYR  13  -3.450  -1.825   5.917
   78    HD1  TYR  13           HD1      TYR  13  -4.538  -0.264   4.556
   79    HD2  TYR  13           HD2      TYR  13  -2.270   1.102   7.877
   80    HE1  TYR  13           HE1      TYR  13  -4.836   2.044   3.803
   81    HE2  TYR  13           HE2      TYR  13  -2.566   3.424   7.131
   82    HH   TYR  13           HH       TYR  13  -3.054   4.622   4.983
   83    H    SER  14           H        SER  14  -5.831   0.378   8.200
   84    HA   SER  14           HA       SER  14  -7.982  -1.186   6.958
   85    HB2  SER  14           HB2      SER  14  -9.456  -0.137   8.785
   86    HB3  SER  14           HB3      SER  14  -8.406  -1.485   9.226
   87    HG   SER  14           HG       SER  14  -7.391  -0.245  10.524
   88    H    GLY  15           H        GLY  15  -6.305   1.102   6.033
   89    HA2  GLY  15           HA2      GLY  15  -8.311   3.244   5.781
   90    HA3  GLY  15           HA3      GLY  15  -6.599   3.381   5.402
   91    HA   PRO  16           HA       PRO  16  -8.636   2.686   1.396
   92    HB2  PRO  16           HB2      PRO  16  -7.316   4.574  -0.014
   93    HB3  PRO  16           HB3      PRO  16  -8.731   4.939   0.981
   94    HG2  PRO  16           HG2      PRO  16  -5.853   5.425   1.530
   95    HG3  PRO  16           HG3      PRO  16  -7.269   6.381   2.004
   96    HD2  PRO  16           HD2      PRO  16  -5.877   4.595   3.656
   97    HD3  PRO  16           HD3      PRO  16  -7.503   5.237   3.949
   98    H    THR  17           H        THR  17  -7.876   0.873   0.458
   99    HA   THR  17           HA       THR  17  -5.038   0.400   0.302
  100    HB   THR  17           HB       THR  17  -5.828  -1.857  -0.559
  101    HG1  THR  17           HG1      THR  17  -7.865  -1.921  -1.069
  102   HG21  THR  17          HG21      THR  17  -6.507  -2.611   1.665
  103   HG22  THR  17          HG22      THR  17  -6.896  -0.948   2.114
  104   HG23  THR  17          HG23      THR  17  -5.229  -1.399   1.815
  105    H    VAL  18           H        VAL  18  -7.577   1.419  -1.712
  106    HA   VAL  18           HA       VAL  18  -6.449   0.626  -4.220
  107    HB   VAL  18           HB       VAL  18  -8.480   2.812  -3.644
  108   HG11  VAL  18          HG11      VAL  18  -7.443   3.087  -5.835
  109   HG12  VAL  18          HG12      VAL  18  -9.125   2.586  -6.000
  110   HG13  VAL  18          HG13      VAL  18  -7.830   1.413  -6.240
  111   HG21  VAL  18          HG21      VAL  18  -9.262   0.633  -2.872
  112   HG22  VAL  18          HG22      VAL  18  -8.917  -0.060  -4.455
  113   HG23  VAL  18          HG23      VAL  18 -10.177   1.163  -4.284
  114    H    CYS  19           H        CYS  19  -4.590   1.440  -4.922
  115    HA   CYS  19           HA       CYS  19  -3.553   3.880  -3.903
  116    HB2  CYS  19           HB2      CYS  19  -2.500   1.999  -6.027
  117    HB3  CYS  19           HB3      CYS  19  -1.697   3.488  -5.564
  118    H    ALA  20           H        ALA  20  -2.532   5.436  -5.489
  119    HA   ALA  20           HA       ALA  20  -4.613   6.765  -6.840
  120    HB1  ALA  20           HB1      ALA  20  -2.904   8.395  -7.368
  121    HB2  ALA  20           HB2      ALA  20  -1.643   7.258  -6.905
  122    HB3  ALA  20           HB3      ALA  20  -2.744   7.893  -5.684
  123    H    SER  21           H        SER  21  -4.505   7.421  -9.088
  124    HA   SER  21           HA       SER  21  -4.302   5.173 -10.761
  125    HB2  SER  21           HB2      SER  21  -4.555   8.087 -11.501
  126    HB3  SER  21           HB3      SER  21  -5.054   6.698 -12.472
  127    HG   SER  21           HG       SER  21  -6.256   6.331 -10.229
  128    H    GLY  22           H        GLY  22  -2.409   4.360 -11.402
  129    HA2  GLY  22           HA2      GLY  22  -0.498   4.511 -12.800
  130    HA3  GLY  22           HA3      GLY  22  -0.342   6.203 -12.344
  131    H    THR  23           H        THR  23  -1.052   4.190  -9.709
  132    HA   THR  23           HA       THR  23   1.809   3.867  -9.095
  133    HB   THR  23           HB       THR  23   1.362   4.401  -6.713
  134    HG1  THR  23           HG1      THR  23  -1.267   4.742  -7.694
  135   HG21  THR  23          HG21      THR  23   2.081   6.243  -8.162
  136   HG22  THR  23          HG22      THR  23   0.975   6.821  -6.915
  137   HG23  THR  23          HG23      THR  23   0.400   6.585  -8.566
  138    H    THR  24           H        THR  24   2.243   2.057  -7.626
  139    HA   THR  24           HA       THR  24   0.039   0.124  -7.636
  140    HB   THR  24           HB       THR  24   1.867  -1.641  -7.786
  141    HG1  THR  24           HG1      THR  24   3.410   0.658  -7.916
  142   HG21  THR  24          HG21      THR  24   1.531   0.229 -10.140
  143   HG22  THR  24          HG22      THR  24   0.447  -1.095  -9.710
  144   HG23  THR  24          HG23      THR  24   2.094  -1.438 -10.234
  145    H    CYS  25           H        CYS  25  -0.250  -1.160  -5.804
  146    HA   CYS  25           HA       CYS  25   0.923  -0.114  -3.390
  147    HB2  CYS  25           HB2      CYS  25  -1.448  -0.744  -3.378
  148    HB3  CYS  25           HB3      CYS  25  -1.041  -2.389  -3.848
  149    H    GLN  26           H        GLN  26   2.991  -0.655  -3.155
  150    HA   GLN  26           HA       GLN  26   3.709  -3.415  -3.716
  151    HB2  GLN  26           HB2      GLN  26   5.484  -0.990  -3.446
  152    HB3  GLN  26           HB3      GLN  26   6.054  -2.626  -3.746
  153    HG2  GLN  26           HG2      GLN  26   4.698  -2.650  -5.827
  154    HG3  GLN  26           HG3      GLN  26   4.325  -0.952  -5.549
  155   HE21  GLN  26          HE21      GLN  26   5.307  -0.316  -7.425
  156   HE22  GLN  26          HE22      GLN  26   7.020  -0.332  -7.653
  157    H    VAL  27           H        VAL  27   4.484  -4.691  -2.255
  158    HA   VAL  27           HA       VAL  27   4.024  -3.929   0.490
  159    HB   VAL  27           HB       VAL  27   4.729  -6.632  -0.701
  160   HG11  VAL  27          HG11      VAL  27   5.323  -6.496   1.662
  161   HG12  VAL  27          HG12      VAL  27   3.944  -7.569   1.418
  162   HG13  VAL  27          HG13      VAL  27   3.693  -5.939   2.047
  163   HG21  VAL  27          HG21      VAL  27   2.596  -5.838  -1.534
  164   HG22  VAL  27          HG22      VAL  27   2.061  -5.485   0.106
  165   HG23  VAL  27          HG23      VAL  27   2.334  -7.153  -0.388
  166    H    LEU  28           H        LEU  28   5.667  -2.749   1.168
  167    HA   LEU  28           HA       LEU  28   8.418  -3.351   0.580
  168    HB2  LEU  28           HB2      LEU  28   7.179  -1.421   2.532
  169    HB3  LEU  28           HB3      LEU  28   8.883  -1.497   2.138
  170    HG   LEU  28           HG       LEU  28   6.698  -0.804   0.172
  171   HD11  LEU  28          HD11      LEU  28   6.934   0.907   1.845
  172   HD12  LEU  28          HD12      LEU  28   7.625   1.461   0.318
  173   HD13  LEU  28          HD13      LEU  28   8.682   0.926   1.628
  174   HD21  LEU  28          HD21      LEU  28   8.557  -0.107  -1.244
  175   HD22  LEU  28          HD22      LEU  28   8.640  -1.834  -0.869
  176   HD23  LEU  28          HD23      LEU  28   9.688  -0.686  -0.019
  177    H    ASN  29           H        ASN  29   6.344  -3.414   3.413
  178    HA   ASN  29           HA       ASN  29   8.079  -5.428   4.635
  179    HB2  ASN  29           HB2      ASN  29   6.623  -3.155   6.031
  180    HB3  ASN  29           HB3      ASN  29   7.517  -4.437   6.820
  181   HD21  ASN  29          HD21      ASN  29   7.834  -1.573   6.998
  182   HD22  ASN  29          HD22      ASN  29   9.448  -1.229   6.536
  183    HA   PRO  30           HA       PRO  30   4.340  -7.764   5.035
  184    HB2  PRO  30           HB2      PRO  30   4.592  -7.731   8.005
  185    HB3  PRO  30           HB3      PRO  30   4.376  -9.102   6.909
  186    HG2  PRO  30           HG2      PRO  30   6.754  -8.644   7.962
  187    HG3  PRO  30           HG3      PRO  30   6.619  -9.093   6.251
  188    HD2  PRO  30           HD2      PRO  30   7.075  -6.406   7.479
  189    HD3  PRO  30           HD3      PRO  30   7.834  -7.129   6.045
  190    H    TYR  31           H        TYR  31   4.514  -5.230   7.576
  191    HA   TYR  31           HA       TYR  31   1.600  -5.005   7.467
  192    HB2  TYR  31           HB2      TYR  31   3.502  -3.553   9.336
  193    HB3  TYR  31           HB3      TYR  31   1.767  -3.719   9.487
  194    HD1  TYR  31           HD1      TYR  31   4.990  -5.278  10.102
  195    HD2  TYR  31           HD2      TYR  31   0.788  -5.892  10.175
  196    HE1  TYR  31           HE1      TYR  31   5.315  -7.245  11.520
  197    HE2  TYR  31           HE2      TYR  31   1.104  -7.868  11.600
  198    HH   TYR  31           HH       TYR  31   4.023  -8.559  13.153
  199    H    TYR  32           H        TYR  32   4.502  -3.383   6.529
  200    HA   TYR  32           HA       TYR  32   2.983  -0.982   5.845
  201    HB2  TYR  32           HB2      TYR  32   5.025  -0.672   7.188
  202    HB3  TYR  32           HB3      TYR  32   5.981  -1.348   5.877
  203    HD1  TYR  32           HD1      TYR  32   3.682   1.429   6.706
  204    HD2  TYR  32           HD2      TYR  32   6.846   0.070   4.190
  205    HE1  TYR  32           HE1      TYR  32   3.928   3.690   5.786
  206    HE2  TYR  32           HE2      TYR  32   7.084   2.328   3.281
  207    HH   TYR  32           HH       TYR  32   5.892   4.320   3.036
  208    H    SER  33           H        SER  33   2.196  -0.930   3.907
  209    HA   SER  33           HA       SER  33   3.863  -1.795   1.673
  210    HB2  SER  33           HB2      SER  33   0.839  -1.962   1.916
  211    HB3  SER  33           HB3      SER  33   1.796  -2.509   0.539
  212    HG   SER  33           HG       SER  33   2.801  -3.647   2.714
  213    H    GLN  34           H        GLN  34   3.718  -0.331  -0.149
  214    HA   GLN  34           HA       GLN  34   2.512   2.244   0.544
  215    HB2  GLN  34           HB2      GLN  34   4.739   2.430   1.354
  216    HB3  GLN  34           HB3      GLN  34   5.398   1.685  -0.087
  217    HG2  GLN  34           HG2      GLN  34   4.936   3.648  -1.376
  218    HG3  GLN  34           HG3      GLN  34   4.068   4.379  -0.022
  219   HE21  GLN  34          HE21      GLN  34   5.216   5.356   1.604
  220   HE22  GLN  34          HE22      GLN  34   6.929   5.556   1.562
  221    H    CYS  35           H        CYS  35   1.786   3.437  -1.121
  222    HA   CYS  35           HA       CYS  35   1.526   2.181  -3.685
  223    HB2  CYS  35           HB2      CYS  35   0.723   4.956  -2.781
  224    HB3  CYS  35           HB3      CYS  35   0.325   4.255  -4.343
  225    H    LEU  36           H        LEU  36   3.190   2.082  -4.905
  226    HA   LEU  36           HA       LEU  36   4.849   4.442  -5.337
  227    HB2  LEU  36           HB2      LEU  36   5.540   1.501  -5.507
  228    HB3  LEU  36           HB3      LEU  36   6.608   2.800  -5.995
  229    HG   LEU  36           HG       LEU  36   5.609   2.387  -3.174
  230   HD11  LEU  36          HD11      LEU  36   7.101   0.581  -3.864
  231   HD12  LEU  36          HD12      LEU  36   7.866   1.641  -2.680
  232   HD13  LEU  36          HD13      LEU  36   8.293   1.774  -4.385
  233   HD21  LEU  36          HD21      LEU  36   6.129   4.710  -3.682
  234   HD22  LEU  36          HD22      LEU  36   7.703   4.230  -4.316
  235   HD23  LEU  36          HD23      LEU  36   7.340   4.021  -2.605
  236    H1   MAN 101           H1       MAN 101  -4.881   8.229  -5.563
  237    H2   MAN 101           H2       MAN 101  -5.157  10.500  -4.465
  238    H3   MAN 101           H3       MAN 101  -7.452  10.987  -5.129
  239    H4   MAN 101           H4       MAN 101  -6.293  11.099  -7.949
  240    H5   MAN 101           H5       MAN 101  -8.258   9.117  -6.656
  241    H61  MAN 101           H61      MAN 101  -7.969   7.871  -8.785
  242    H62  MAN 101           H62      MAN 101  -7.059   9.227  -9.472
  243    HO2  MAN 101           HO2      MAN 101  -4.358  11.624  -6.318
  244    HO3  MAN 101           HO3      MAN 101  -6.925  13.052  -6.119
  245    HO4  MAN 101           HO4      MAN 101  -8.506  11.433  -8.423
  246    HO6  MAN 101           HO6      MAN 101  -9.090   9.606 -10.139
  Start of MODEL    5
    1    H1   THR   1           H1       THR   1  -8.822   6.339  -0.319
    2    H2   THR   1           H2       THR   1  -9.633   6.390  -1.795
    3    H3   THR   1           H3       THR   1  -8.616   7.655  -1.326
    4    HA   THR   1           HA       THR   1  -7.679   4.948  -1.951
    5    HB   THR   1           HB       THR   1  -6.533   6.137  -3.799
    6   HG21  THR   1          HG21      THR   1  -8.686   4.964  -4.239
    7   HG22  THR   1          HG22      THR   1  -8.549   6.399  -5.257
    8   HG23  THR   1          HG23      THR   1  -9.569   6.434  -3.824
    9    H    GLN   2           H        GLN   2  -5.235   5.118  -2.192
   10    HA   GLN   2           HA       GLN   2  -4.161   6.953  -0.185
   11    HB2  GLN   2           HB2      GLN   2  -4.000   4.464   0.296
   12    HB3  GLN   2           HB3      GLN   2  -2.970   4.336  -1.121
   13    HG2  GLN   2           HG2      GLN   2  -1.600   4.452   0.850
   14    HG3  GLN   2           HG3      GLN   2  -1.400   5.920  -0.105
   15   HE21  GLN   2          HE21      GLN   2  -4.146   5.233   1.951
   16   HE22  GLN   2          HE22      GLN   2  -3.849   6.487   3.098
   17    H    SER   3           H        SER   3  -2.376   8.168  -0.796
   18    HA   SER   3           HA       SER   3  -2.038   8.425  -3.657
   19    HB2  SER   3           HB2      SER   3  -1.065  10.156  -1.389
   20    HB3  SER   3           HB3      SER   3  -1.082  10.568  -3.106
   21    HG   SER   3           HG       SER   3  -3.495   9.955  -2.778
   22    H    HIS   4           H        HIS   4   0.238   9.153  -4.286
   23    HA   HIS   4           HA       HIS   4   1.988   6.994  -4.217
   24    HB2  HIS   4           HB2      HIS   4   1.846   8.829  -5.920
   25    HB3  HIS   4           HB3      HIS   4   2.654   9.895  -4.791
   26    HD1  HIS   4           HD1      HIS   4   4.652  10.257  -6.381
   27    HD2  HIS   4           HD2      HIS   4   4.020   6.274  -5.417
   28    HE1  HIS   4           HE1      HIS   4   6.654   9.038  -7.230
   29    HE2  HIS   4           HE2      HIS   4   6.037   6.641  -6.983
   30    H    TYR   5           H        TYR   5   3.573   6.374  -2.870
   31    HA   TYR   5           HA       TYR   5   4.990   6.198  -1.170
   32    HB2  TYR   5           HB2      TYR   5   4.866   9.219  -0.976
   33    HB3  TYR   5           HB3      TYR   5   5.897   8.216   0.029
   34    HD1  TYR   5           HD1      TYR   5   7.405   6.509  -1.393
   35    HD2  TYR   5           HD2      TYR   5   5.832  10.187  -2.825
   36    HE1  TYR   5           HE1      TYR   5   9.180   6.596  -3.085
   37    HE2  TYR   5           HE2      TYR   5   7.600  10.279  -4.531
   38    HH   TYR   5           HH       TYR   5   9.871   9.373  -4.828
   39    H    GLY   6           H        GLY   6   1.936   6.619  -0.874
   40    HA2  GLY   6           HA2      GLY   6   1.903   6.916   2.020
   41    HA3  GLY   6           HA3      GLY   6   0.500   6.878   0.955
   42    H    GLN   7           H        GLN   7   0.717   5.376   3.260
   43    HA   GLN   7           HA       GLN   7   1.463   2.679   2.577
   44    HB2  GLN   7           HB2      GLN   7   1.629   3.641   4.928
   45    HB3  GLN   7           HB3      GLN   7  -0.133   3.622   4.940
   46    HG2  GLN   7           HG2      GLN   7  -0.143   1.213   4.685
   47    HG3  GLN   7           HG3      GLN   7   1.620   1.196   4.630
   48   HE21  GLN   7          HE21      GLN   7  -0.092  -0.163   6.502
   49   HE22  GLN   7          HE22      GLN   7   0.292   0.428   8.057
   50    H    CYS   8           H        CYS   8   0.225   1.847   1.076
   51    HA   CYS   8           HA       CYS   8  -2.524   2.479   0.745
   52    HB2  CYS   8           HB2      CYS   8  -2.369   0.595  -0.962
   53    HB3  CYS   8           HB3      CYS   8  -1.370   2.023  -1.215
   54    H    GLY   9           H        GLY   9  -0.977  -0.631   1.523
   55    HA2  GLY   9           HA2      GLY   9  -2.997  -1.225   3.412
   56    HA3  GLY   9           HA3      GLY   9  -3.340  -2.012   1.877
   57    H    GLY  10           H        GLY  10  -1.258  -1.817   4.591
   58    HA2  GLY  10           HA2      GLY  10   0.040  -4.309   3.787
   59    HA3  GLY  10           HA3      GLY  10   0.576  -3.254   5.093
   60    H    ILE  11           H        ILE  11   0.416  -5.678   5.970
   61    HA   ILE  11           HA       ILE  11  -2.112  -6.639   6.734
   62    HB   ILE  11           HB       ILE  11   0.617  -7.083   7.999
   63   HG12  ILE  11          HG12      ILE  11  -0.965  -8.803   6.062
   64   HG13  ILE  11          HG13      ILE  11   0.443  -7.836   5.656
   65   HG21  ILE  11          HG21      ILE  11  -0.359  -9.076   9.064
   66   HG22  ILE  11          HG22      ILE  11  -1.949  -8.606   8.455
   67   HG23  ILE  11          HG23      ILE  11  -1.116  -7.583   9.621
   68   HD11  ILE  11          HD11      ILE  11   1.822  -9.225   7.122
   69   HD12  ILE  11          HD12      ILE  11   1.015 -10.186   5.882
   70   HD13  ILE  11          HD13      ILE  11   0.404 -10.187   7.536
   71    H    GLY  12           H        GLY  12  -3.488  -5.644   8.031
   72    HA2  GLY  12           HA2      GLY  12  -4.126  -4.979  10.213
   73    HA3  GLY  12           HA3      GLY  12  -2.477  -4.463  10.512
   74    H    TYR  13           H        TYR  13  -3.569  -3.509   7.478
   75    HA   TYR  13           HA       TYR  13  -4.196  -0.842   8.538
   76    HB2  TYR  13           HB2      TYR  13  -2.184  -1.022   7.039
   77    HB3  TYR  13           HB3      TYR  13  -3.244  -1.573   5.754
   78    HD1  TYR  13           HD1      TYR  13  -2.338   1.299   7.879
   79    HD2  TYR  13           HD2      TYR  13  -4.549   0.005   4.492
   80    HE1  TYR  13           HE1      TYR  13  -2.669   3.641   7.212
   81    HE2  TYR  13           HE2      TYR  13  -4.889   2.342   3.815
   82    HH   TYR  13           HH       TYR  13  -3.088   4.825   5.069
   83    H    SER  14           H        SER  14  -6.310  -0.547   8.619
   84    HA   SER  14           HA       SER  14  -8.057  -1.890   6.701
   85    HB2  SER  14           HB2      SER  14  -9.787  -1.277   8.466
   86    HB3  SER  14           HB3      SER  14  -8.561  -2.440   8.964
   87    HG   SER  14           HG       SER  14  -8.748  -0.928  10.566
   88    H    GLY  15           H        GLY  15  -6.575   0.491   6.007
   89    HA2  GLY  15           HA2      GLY  15  -8.639   2.568   6.020
   90    HA3  GLY  15           HA3      GLY  15  -6.923   2.843   5.756
   91    HA   PRO  16           HA       PRO  16  -8.791   2.781   1.596
   92    HB2  PRO  16           HB2      PRO  16  -7.375   4.884   0.613
   93    HB3  PRO  16           HB3      PRO  16  -8.875   5.081   1.523
   94    HG2  PRO  16           HG2      PRO  16  -6.064   5.461   2.402
   95    HG3  PRO  16           HG3      PRO  16  -7.524   6.347   2.870
   96    HD2  PRO  16           HD2      PRO  16  -6.294   4.378   4.372
   97    HD3  PRO  16           HD3      PRO  16  -7.977   4.901   4.566
   98    H    THR  17           H        THR  17  -7.905   0.976   0.789
   99    HA   THR  17           HA       THR  17  -5.072   0.592   0.729
  100    HB   THR  17           HB       THR  17  -5.808  -1.694  -0.106
  101    HG1  THR  17           HG1      THR  17  -8.023  -2.126   0.217
  102   HG21  THR  17          HG21      THR  17  -6.905  -0.712   2.540
  103   HG22  THR  17          HG22      THR  17  -5.239  -1.209   2.257
  104   HG23  THR  17          HG23      THR  17  -6.543  -2.390   2.139
  105    H    VAL  18           H        VAL  18  -7.393   1.741  -1.482
  106    HA   VAL  18           HA       VAL  18  -6.059   0.654  -3.816
  107    HB   VAL  18           HB       VAL  18  -8.340   2.653  -3.672
  108   HG11  VAL  18          HG11      VAL  18  -8.755   2.047  -6.008
  109   HG12  VAL  18          HG12      VAL  18  -7.327   1.012  -5.992
  110   HG13  VAL  18          HG13      VAL  18  -7.152   2.755  -5.799
  111   HG21  VAL  18          HG21      VAL  18  -9.791   0.743  -4.211
  112   HG22  VAL  18          HG22      VAL  18  -8.974   0.530  -2.662
  113   HG23  VAL  18          HG23      VAL  18  -8.404  -0.337  -4.086
  114    H    CYS  19           H        CYS  19  -4.450   1.621  -4.836
  115    HA   CYS  19           HA       CYS  19  -3.489   4.164  -3.933
  116    HB2  CYS  19           HB2      CYS  19  -2.456   2.238  -6.018
  117    HB3  CYS  19           HB3      CYS  19  -1.650   3.738  -5.566
  118    H    ALA  20           H        ALA  20  -2.547   5.623  -5.793
  119    HA   ALA  20           HA       ALA  20  -4.856   6.535  -7.258
  120    HB1  ALA  20           HB1      ALA  20  -3.523   8.127  -5.948
  121    HB2  ALA  20           HB2      ALA  20  -3.550   8.538  -7.658
  122    HB3  ALA  20           HB3      ALA  20  -2.122   7.770  -6.961
  123    H    SER  21           H        SER  21  -4.153   7.595  -9.471
  124    HA   SER  21           HA       SER  21  -3.833   5.501 -11.283
  125    HB2  SER  21           HB2      SER  21  -3.429   8.453 -11.737
  126    HB3  SER  21           HB3      SER  21  -3.797   7.241 -12.964
  127    HG   SER  21           HG       SER  21  -5.639   6.902 -11.202
  128    H    GLY  22           H        GLY  22  -2.054   4.443 -11.890
  129    HA2  GLY  22           HA2      GLY  22   0.052   4.243 -12.839
  130    HA3  GLY  22           HA3      GLY  22   0.389   5.912 -12.408
  131    H    THR  23           H        THR  23  -0.840   4.344  -9.738
  132    HA   THR  23           HA       THR  23   1.863   3.640  -8.879
  133    HB   THR  23           HB       THR  23   1.273   4.333  -6.557
  134    HG1  THR  23           HG1      THR  23  -1.182   4.840  -7.779
  135   HG21  THR  23          HG21      THR  23   2.468   5.909  -7.990
  136   HG22  THR  23          HG22      THR  23   1.363   6.762  -6.912
  137   HG23  THR  23          HG23      THR  23   0.935   6.526  -8.608
  138    H    THR  24           H        THR  24   2.159   1.751  -7.847
  139    HA   THR  24           HA       THR  24  -0.204   0.047  -7.596
  140    HB   THR  24           HB       THR  24   1.503  -1.844  -7.763
  141    HG1  THR  24           HG1      THR  24   3.203   0.325  -7.949
  142   HG21  THR  24          HG21      THR  24   0.057  -1.251  -9.647
  143   HG22  THR  24          HG22      THR  24   1.658  -1.719 -10.216
  144   HG23  THR  24          HG23      THR  24   1.209  -0.013 -10.149
  145    H    CYS  25           H        CYS  25  -0.427  -1.176  -5.725
  146    HA   CYS  25           HA       CYS  25   0.856  -0.028  -3.426
  147    HB2  CYS  25           HB2      CYS  25  -1.546  -0.547  -3.342
  148    HB3  CYS  25           HB3      CYS  25  -1.206  -2.242  -3.652
  149    H    GLN  26           H        GLN  26   2.947  -0.658  -3.338
  150    HA   GLN  26           HA       GLN  26   3.562  -3.475  -3.722
  151    HB2  GLN  26           HB2      GLN  26   5.423  -1.116  -3.423
  152    HB3  GLN  26           HB3      GLN  26   5.907  -2.763  -3.792
  153    HG2  GLN  26           HG2      GLN  26   4.614  -2.646  -5.886
  154    HG3  GLN  26           HG3      GLN  26   4.214  -0.970  -5.518
  155   HE21  GLN  26          HE21      GLN  26   5.228  -0.159  -7.312
  156   HE22  GLN  26          HE22      GLN  26   6.944  -0.140  -7.478
  157    H    VAL  27           H        VAL  27   4.141  -4.752  -2.121
  158    HA   VAL  27           HA       VAL  27   3.832  -3.750   0.568
  159    HB   VAL  27           HB       VAL  27   4.409  -6.572  -0.391
  160   HG11  VAL  27          HG11      VAL  27   4.973  -6.200   1.959
  161   HG12  VAL  27          HG12      VAL  27   3.598  -7.285   1.788
  162   HG13  VAL  27          HG13      VAL  27   3.340  -5.603   2.257
  163   HG21  VAL  27          HG21      VAL  27   1.763  -5.287   0.283
  164   HG22  VAL  27          HG22      VAL  27   2.007  -6.995  -0.086
  165   HG23  VAL  27          HG23      VAL  27   2.306  -5.772  -1.323
  166    H    LEU  28           H        LEU  28   5.598  -2.674   1.241
  167    HA   LEU  28           HA       LEU  28   8.284  -3.502   0.502
  168    HB2  LEU  28           HB2      LEU  28   7.450  -1.392   2.494
  169    HB3  LEU  28           HB3      LEU  28   9.042  -1.600   1.811
  170    HG   LEU  28           HG       LEU  28   6.576  -0.625   0.382
  171   HD11  LEU  28          HD11      LEU  28   7.653   0.974   1.873
  172   HD12  LEU  28          HD12      LEU  28   7.816   1.442   0.182
  173   HD13  LEU  28          HD13      LEU  28   9.182   0.716   1.038
  174   HD21  LEU  28          HD21      LEU  28   8.035  -0.277  -1.543
  175   HD22  LEU  28          HD22      LEU  28   7.891  -1.992  -1.144
  176   HD23  LEU  28          HD23      LEU  28   9.351  -1.098  -0.699
  177    H    ASN  29           H        ASN  29   6.250  -3.344   3.319
  178    HA   ASN  29           HA       ASN  29   7.944  -5.271   4.732
  179    HB2  ASN  29           HB2      ASN  29   6.491  -2.880   5.950
  180    HB3  ASN  29           HB3      ASN  29   7.381  -4.106   6.834
  181   HD21  ASN  29          HD21      ASN  29   7.606  -1.282   4.872
  182   HD22  ASN  29          HD22      ASN  29   9.274  -0.973   5.118
  183    HA   PRO  30           HA       PRO  30   4.109  -7.429   5.017
  184    HB2  PRO  30           HB2      PRO  30   4.271  -7.545   7.979
  185    HB3  PRO  30           HB3      PRO  30   4.157  -8.867   6.810
  186    HG2  PRO  30           HG2      PRO  30   6.449  -8.352   8.068
  187    HG3  PRO  30           HG3      PRO  30   6.432  -8.849   6.364
  188    HD2  PRO  30           HD2      PRO  30   6.808  -6.136   7.553
  189    HD3  PRO  30           HD3      PRO  30   7.631  -6.867   6.164
  190    H    TYR  31           H        TYR  31   4.504  -4.869   7.392
  191    HA   TYR  31           HA       TYR  31   1.589  -4.540   7.495
  192    HB2  TYR  31           HB2      TYR  31   3.678  -3.138   9.167
  193    HB3  TYR  31           HB3      TYR  31   1.948  -3.233   9.478
  194    HD1  TYR  31           HD1      TYR  31   0.959  -5.362  10.282
  195    HD2  TYR  31           HD2      TYR  31   5.147  -4.927   9.737
  196    HE1  TYR  31           HE1      TYR  31   1.340  -7.393  11.611
  197    HE2  TYR  31           HE2      TYR  31   5.536  -6.948  11.060
  198    HH   TYR  31           HH       TYR  31   3.007  -9.069  11.905
  199    H    TYR  32           H        TYR  32   4.513  -3.028   6.346
  200    HA   TYR  32           HA       TYR  32   2.968  -0.656   5.645
  201    HB2  TYR  32           HB2      TYR  32   5.150  -0.252   6.892
  202    HB3  TYR  32           HB3      TYR  32   5.967  -0.942   5.509
  203    HD1  TYR  32           HD1      TYR  32   3.785   1.855   6.518
  204    HD2  TYR  32           HD2      TYR  32   6.449   0.323   3.591
  205    HE1  TYR  32           HE1      TYR  32   3.765   4.026   5.375
  206    HE2  TYR  32           HE2      TYR  32   6.444   2.493   2.443
  207    HH   TYR  32           HH       TYR  32   5.146   5.285   3.875
  208    H    SER  33           H        SER  33   2.113  -0.729   3.743
  209    HA   SER  33           HA       SER  33   3.685  -1.748   1.498
  210    HB2  SER  33           HB2      SER  33   0.681  -1.555   1.846
  211    HB3  SER  33           HB3      SER  33   1.479  -2.179   0.412
  212    HG   SER  33           HG       SER  33   0.731  -3.766   1.995
  213    H    GLN  34           H        GLN  34   3.699  -0.315  -0.345
  214    HA   GLN  34           HA       GLN  34   2.772   2.385   0.330
  215    HB2  GLN  34           HB2      GLN  34   5.116   2.146   0.943
  216    HB3  GLN  34           HB3      GLN  34   5.502   1.617  -0.681
  217    HG2  GLN  34           HG2      GLN  34   4.950   3.788  -1.562
  218    HG3  GLN  34           HG3      GLN  34   4.410   4.328   0.027
  219   HE21  GLN  34          HE21      GLN  34   5.949   4.747   1.621
  220   HE22  GLN  34          HE22      GLN  34   7.612   4.976   1.230
  221    H    CYS  35           H        CYS  35   1.941   3.513  -1.297
  222    HA   CYS  35           HA       CYS  35   1.493   2.276  -3.842
  223    HB2  CYS  35           HB2      CYS  35   0.945   5.098  -2.918
  224    HB3  CYS  35           HB3      CYS  35   0.418   4.428  -4.455
  225    H    LEU  36           H        LEU  36   3.052   2.057  -5.203
  226    HA   LEU  36           HA       LEU  36   4.798   4.317  -5.851
  227    HB2  LEU  36           HB2      LEU  36   5.501   1.395  -5.679
  228    HB3  LEU  36           HB3      LEU  36   6.558   2.652  -6.288
  229    HG   LEU  36           HG       LEU  36   5.528   2.545  -3.460
  230   HD11  LEU  36          HD11      LEU  36   7.725   1.746  -2.869
  231   HD12  LEU  36          HD12      LEU  36   8.217   1.765  -4.561
  232   HD13  LEU  36          HD13      LEU  36   6.979   0.629  -4.012
  233   HD21  LEU  36          HD21      LEU  36   7.694   4.182  -4.774
  234   HD22  LEU  36          HD22      LEU  36   7.280   4.191  -3.060
  235   HD23  LEU  36          HD23      LEU  36   6.123   4.786  -4.243
  236    H1   MAN 101           H1       MAN 101  -6.137   8.052  -4.958
  237    H2   MAN 101           H2       MAN 101  -7.206  10.483  -3.536
  238    H3   MAN 101           H3       MAN 101  -7.648  11.339  -5.619
  239    H4   MAN 101           H4       MAN 101  -5.529   9.423  -6.668
  240    H5   MAN 101           H5       MAN 101  -8.498   9.429  -7.364
  241    H61  MAN 101           H61      MAN 101  -8.218   7.132  -7.727
  242    H62  MAN 101           H62      MAN 101  -6.645   7.043  -6.925
  243    HO2  MAN 101           HO2      MAN 101  -5.037  10.989  -3.786
  244    HO3  MAN 101           HO3      MAN 101  -5.735  12.293  -6.413
  245    HO4  MAN 101           HO4      MAN 101  -6.291  10.170  -8.668
  246    HO6  MAN 101           HO6      MAN 101  -7.013   7.257  -9.451
  Start of MODEL    6
    1    H1   THR   1           H1       THR   1  -8.099   8.833  -2.164
    2    H2   THR   1           H2       THR   1  -8.843   7.726  -1.135
    3    H3   THR   1           H3       THR   1  -9.312   7.829  -2.752
    4    HA   THR   1           HA       THR   1  -7.880   5.902  -2.405
    5    HB   THR   1           HB       THR   1  -6.034   6.561  -3.977
    6   HG21  THR   1          HG21      THR   1  -7.562   6.919  -5.905
    7   HG22  THR   1          HG22      THR   1  -8.833   7.422  -4.804
    8   HG23  THR   1          HG23      THR   1  -8.261   5.757  -4.779
    9    H    GLN   2           H        GLN   2  -5.357   5.552  -2.406
   10    HA   GLN   2           HA       GLN   2  -4.202   7.020  -0.163
   11    HB2  GLN   2           HB2      GLN   2  -4.246   4.440  -0.251
   12    HB3  GLN   2           HB3      GLN   2  -3.122   4.584  -1.590
   13    HG2  GLN   2           HG2      GLN   2  -1.783   4.214   0.304
   14    HG3  GLN   2           HG3      GLN   2  -1.637   5.921  -0.084
   15   HE21  GLN   2          HE21      GLN   2  -4.397   4.439   1.539
   16   HE22  GLN   2          HE22      GLN   2  -4.127   5.164   3.066
   17    H    SER   3           H        SER   3  -2.357   8.275  -0.604
   18    HA   SER   3           HA       SER   3  -1.945   8.913  -3.367
   19    HB2  SER   3           HB2      SER   3  -0.767  10.069  -0.839
   20    HB3  SER   3           HB3      SER   3  -0.549  10.740  -2.458
   21    HG   SER   3           HG       SER   3  -2.239  11.800  -1.947
   22    H    HIS   4           H        HIS   4   0.291   9.287  -4.105
   23    HA   HIS   4           HA       HIS   4   1.888   6.990  -4.146
   24    HB2  HIS   4           HB2      HIS   4   1.787   8.799  -5.880
   25    HB3  HIS   4           HB3      HIS   4   2.636   9.859  -4.770
   26    HD1  HIS   4           HD1      HIS   4   4.886  10.164  -5.747
   27    HD2  HIS   4           HD2      HIS   4   3.641   6.210  -5.946
   28    HE1  HIS   4           HE1      HIS   4   6.757   8.914  -6.845
   29    HE2  HIS   4           HE2      HIS   4   5.827   6.646  -7.244
   30    H    TYR   5           H        TYR   5   3.365   6.272  -2.737
   31    HA   TYR   5           HA       TYR   5   4.777   6.055  -1.044
   32    HB2  TYR   5           HB2      TYR   5   4.898   9.065  -0.996
   33    HB3  TYR   5           HB3      TYR   5   5.745   8.065   0.182
   34    HD1  TYR   5           HD1      TYR   5   5.763   9.442  -3.142
   35    HD2  TYR   5           HD2      TYR   5   7.573   6.566  -0.613
   36    HE1  TYR   5           HE1      TYR   5   7.682   9.317  -4.664
   37    HE2  TYR   5           HE2      TYR   5   9.499   6.424  -2.123
   38    HH   TYR   5           HH       TYR   5  10.050   8.699  -4.541
   39    H    GLY   6           H        GLY   6   1.759   6.612  -0.761
   40    HA2  GLY   6           HA2      GLY   6   1.734   6.932   2.140
   41    HA3  GLY   6           HA3      GLY   6   0.324   6.849   1.084
   42    H    GLN   7           H        GLN   7   0.812   5.301   3.498
   43    HA   GLN   7           HA       GLN   7   1.510   2.633   2.755
   44    HB2  GLN   7           HB2      GLN   7   1.730   3.502   5.093
   45    HB3  GLN   7           HB3      GLN   7  -0.022   3.636   5.148
   46    HG2  GLN   7           HG2      GLN   7  -0.272   1.251   5.039
   47    HG3  GLN   7           HG3      GLN   7   1.468   1.042   4.820
   48   HE21  GLN   7          HE21      GLN   7  -0.317   0.035   6.960
   49   HE22  GLN   7          HE22      GLN   7   0.347   0.664   8.417
   50    H    CYS   8           H        CYS   8   0.297   1.768   1.222
   51    HA   CYS   8           HA       CYS   8  -2.421   2.350   0.734
   52    HB2  CYS   8           HB2      CYS   8  -2.219   0.363  -0.835
   53    HB3  CYS   8           HB3      CYS   8  -1.161   1.742  -1.123
   54    H    GLY   9           H        GLY   9  -0.956  -0.670   1.822
   55    HA2  GLY   9           HA2      GLY   9  -3.025  -1.213   3.638
   56    HA3  GLY   9           HA3      GLY   9  -3.380  -1.994   2.107
   57    H    GLY  10           H        GLY  10  -1.039  -1.710   4.639
   58    HA2  GLY  10           HA2      GLY  10   0.052  -4.315   3.887
   59    HA3  GLY  10           HA3      GLY  10   0.726  -3.231   5.112
   60    H    ILE  11           H        ILE  11   0.445  -5.697   6.040
   61    HA   ILE  11           HA       ILE  11  -2.065  -6.472   6.977
   62    HB   ILE  11           HB       ILE  11   0.644  -6.923   8.294
   63   HG12  ILE  11          HG12      ILE  11  -0.909  -8.687   6.380
   64   HG13  ILE  11          HG13      ILE  11   0.502  -7.726   5.951
   65   HG21  ILE  11          HG21      ILE  11  -0.408  -8.859   9.385
   66   HG22  ILE  11          HG22      ILE  11  -1.959  -8.418   8.674
   67   HG23  ILE  11          HG23      ILE  11  -1.194  -7.347   9.847
   68   HD11  ILE  11          HD11      ILE  11   0.447 -10.013   7.908
   69   HD12  ILE  11          HD12      ILE  11   1.868  -9.061   7.478
   70   HD13  ILE  11          HD13      ILE  11   1.080 -10.066   6.263
   71    H    GLY  12           H        GLY  12  -3.389  -5.237   8.132
   72    HA2  GLY  12           HA2      GLY  12  -3.858  -4.458  10.393
   73    HA3  GLY  12           HA3      GLY  12  -2.255  -3.740  10.399
   74    H    TYR  13           H        TYR  13  -3.060  -3.002   7.422
   75    HA   TYR  13           HA       TYR  13  -4.419  -0.525   8.249
   76    HB2  TYR  13           HB2      TYR  13  -2.129  -0.347   7.176
   77    HB3  TYR  13           HB3      TYR  13  -2.830  -1.012   5.708
   78    HD1  TYR  13           HD1      TYR  13  -2.389   1.946   7.757
   79    HD2  TYR  13           HD2      TYR  13  -4.534   0.363   4.446
   80    HE1  TYR  13           HE1      TYR  13  -2.969   4.227   7.053
   81    HE2  TYR  13           HE2      TYR  13  -5.128   2.644   3.733
   82    HH   TYR  13           HH       TYR  13  -3.644   5.429   5.125
   83    H    SER  14           H        SER  14  -6.522  -0.537   7.803
   84    HA   SER  14           HA       SER  14  -7.466  -2.150   5.544
   85    HB2  SER  14           HB2      SER  14  -9.549  -2.371   6.991
   86    HB3  SER  14           HB3      SER  14  -8.109  -3.229   7.546
   87    HG   SER  14           HG       SER  14  -8.271  -2.144   9.310
   88    H    GLY  15           H        GLY  15  -6.745   0.770   5.827
   89    HA2  GLY  15           HA2      GLY  15  -9.320   2.090   5.503
   90    HA3  GLY  15           HA3      GLY  15  -7.744   2.865   5.547
   91    HA   PRO  16           HA       PRO  16  -8.844   3.087   1.188
   92    HB2  PRO  16           HB2      PRO  16  -7.131   5.142   0.595
   93    HB3  PRO  16           HB3      PRO  16  -8.760   5.367   1.239
   94    HG2  PRO  16           HG2      PRO  16  -6.140   5.479   2.644
   95    HG3  PRO  16           HG3      PRO  16  -7.606   6.437   2.911
   96    HD2  PRO  16           HD2      PRO  16  -6.830   4.333   4.484
   97    HD3  PRO  16           HD3      PRO  16  -8.504   4.879   4.314
   98    H    THR  17           H        THR  17  -7.938   1.124   0.644
   99    HA   THR  17           HA       THR  17  -5.083   0.840   0.479
  100    HB   THR  17           HB       THR  17  -5.671  -1.501  -0.300
  101    HG1  THR  17           HG1      THR  17  -7.946  -1.992   0.332
  102   HG21  THR  17          HG21      THR  17  -6.906  -0.620   2.316
  103   HG22  THR  17          HG22      THR  17  -5.201  -0.969   2.069
  104   HG23  THR  17          HG23      THR  17  -6.392  -2.261   1.913
  105    H    VAL  18           H        VAL  18  -7.595   1.821  -1.543
  106    HA   VAL  18           HA       VAL  18  -6.435   1.008  -4.037
  107    HB   VAL  18           HB       VAL  18  -8.577   3.099  -3.500
  108   HG11  VAL  18          HG11      VAL  18  -7.745   1.827  -6.113
  109   HG12  VAL  18          HG12      VAL  18  -7.470   3.507  -5.649
  110   HG13  VAL  18          HG13      VAL  18  -9.115   2.915  -5.894
  111   HG21  VAL  18          HG21      VAL  18  -8.813   0.251  -4.463
  112   HG22  VAL  18          HG22      VAL  18 -10.148   1.383  -4.249
  113   HG23  VAL  18          HG23      VAL  18  -9.225   0.824  -2.852
  114    H    CYS  19           H        CYS  19  -4.634   1.778  -4.736
  115    HA   CYS  19           HA       CYS  19  -3.539   4.279  -3.879
  116    HB2  CYS  19           HB2      CYS  19  -2.591   2.280  -5.933
  117    HB3  CYS  19           HB3      CYS  19  -1.683   3.691  -5.411
  118    H    ALA  20           H        ALA  20  -2.693   5.847  -5.447
  119    HA   ALA  20           HA       ALA  20  -4.675   6.882  -7.149
  120    HB1  ALA  20           HB1      ALA  20  -2.931   8.248  -6.048
  121    HB2  ALA  20           HB2      ALA  20  -2.966   8.494  -7.796
  122    HB3  ALA  20           HB3      ALA  20  -1.717   7.484  -7.073
  123    H    SER  21           H        SER  21  -4.746   6.974  -9.409
  124    HA   SER  21           HA       SER  21  -4.050   4.639 -10.751
  125    HB2  SER  21           HB2      SER  21  -4.720   7.374 -11.862
  126    HB3  SER  21           HB3      SER  21  -4.808   5.852 -12.754
  127    HG   SER  21           HG       SER  21  -6.151   5.440 -10.571
  128    H    GLY  22           H        GLY  22  -2.162   3.983 -11.531
  129    HA2  GLY  22           HA2      GLY  22  -0.195   4.397 -12.845
  130    HA3  GLY  22           HA3      GLY  22  -0.089   5.986 -12.091
  131    H    THR  23           H        THR  23  -0.928   4.402  -9.521
  132    HA   THR  23           HA       THR  23   1.805   3.489  -8.941
  133    HB   THR  23           HB       THR  23   1.469   4.187  -6.593
  134    HG1  THR  23           HG1      THR  23  -1.099   4.811  -7.563
  135   HG21  THR  23          HG21      THR  23   2.495   5.772  -8.130
  136   HG22  THR  23          HG22      THR  23   1.505   6.612  -6.930
  137   HG23  THR  23          HG23      THR  23   0.900   6.381  -8.570
  138    H    THR  24           H        THR  24   2.024   1.646  -7.625
  139    HA   THR  24           HA       THR  24  -0.453   0.105  -7.336
  140    HB   THR  24           HB       THR  24   1.092  -1.903  -7.473
  141    HG1  THR  24           HG1      THR  24   2.962   0.119  -7.850
  142   HG21  THR  24          HG21      THR  24   0.809  -0.162  -9.928
  143   HG22  THR  24          HG22      THR  24  -0.403  -1.283  -9.306
  144   HG23  THR  24          HG23      THR  24   1.124  -1.897  -9.933
  145    H    CYS  25           H        CYS  25  -0.571  -1.265  -5.463
  146    HA   CYS  25           HA       CYS  25   0.773  -0.122  -3.204
  147    HB2  CYS  25           HB2      CYS  25  -1.589  -0.871  -3.042
  148    HB3  CYS  25           HB3      CYS  25  -1.089  -2.515  -3.413
  149    H    GLN  26           H        GLN  26   2.897  -0.588  -3.130
  150    HA   GLN  26           HA       GLN  26   3.709  -3.288  -3.799
  151    HB2  GLN  26           HB2      GLN  26   5.403  -0.819  -3.390
  152    HB3  GLN  26           HB3      GLN  26   6.016  -2.403  -3.833
  153    HG2  GLN  26           HG2      GLN  26   4.592  -2.284  -5.892
  154    HG3  GLN  26           HG3      GLN  26   4.239  -0.612  -5.470
  155   HE21  GLN  26          HE21      GLN  26   5.224   0.228  -7.297
  156   HE22  GLN  26          HE22      GLN  26   6.928   0.216  -7.512
  157    H    VAL  27           H        VAL  27   4.554  -4.622  -2.431
  158    HA   VAL  27           HA       VAL  27   4.170  -4.055   0.370
  159    HB   VAL  27           HB       VAL  27   5.128  -6.612  -0.952
  160   HG11  VAL  27          HG11      VAL  27   4.026  -6.139   1.813
  161   HG12  VAL  27          HG12      VAL  27   5.701  -6.506   1.408
  162   HG13  VAL  27          HG13      VAL  27   4.442  -7.709   1.126
  163   HG21  VAL  27          HG21      VAL  27   2.340  -5.829  -0.099
  164   HG22  VAL  27          HG22      VAL  27   2.826  -7.414  -0.703
  165   HG23  VAL  27          HG23      VAL  27   2.910  -6.005  -1.759
  166    H    LEU  28           H        LEU  28   5.767  -2.761   1.076
  167    HA   LEU  28           HA       LEU  28   8.537  -3.256   0.435
  168    HB2  LEU  28           HB2      LEU  28   7.276  -1.403   2.461
  169    HB3  LEU  28           HB3      LEU  28   8.976  -1.428   2.055
  170    HG   LEU  28           HG       LEU  28   6.746  -0.688   0.148
  171   HD11  LEU  28          HD11      LEU  28   7.659   1.576   0.350
  172   HD12  LEU  28          HD12      LEU  28   8.762   1.008   1.609
  173   HD13  LEU  28          HD13      LEU  28   7.013   0.959   1.867
  174   HD21  LEU  28          HD21      LEU  28   8.679  -1.663  -0.991
  175   HD22  LEU  28          HD22      LEU  28   9.732  -0.525  -0.131
  176   HD23  LEU  28          HD23      LEU  28   8.550   0.075  -1.291
  177    H    ASN  29           H        ASN  29   6.450  -3.479   3.251
  178    HA   ASN  29           HA       ASN  29   8.212  -5.486   4.442
  179    HB2  ASN  29           HB2      ASN  29   6.815  -3.219   5.931
  180    HB3  ASN  29           HB3      ASN  29   7.795  -4.480   6.648
  181   HD21  ASN  29          HD21      ASN  29   7.801  -1.464   4.967
  182   HD22  ASN  29          HD22      ASN  29   9.480  -1.142   5.133
  183    HA   PRO  30           HA       PRO  30   4.365  -7.672   4.948
  184    HB2  PRO  30           HB2      PRO  30   4.655  -7.803   7.900
  185    HB3  PRO  30           HB3      PRO  30   4.472  -9.116   6.734
  186    HG2  PRO  30           HG2      PRO  30   6.831  -8.660   7.863
  187    HG3  PRO  30           HG3      PRO  30   6.722  -9.092   6.146
  188    HD2  PRO  30           HD2      PRO  30   7.155  -6.408   7.401
  189    HD3  PRO  30           HD3      PRO  30   7.933  -7.121   5.969
  190    H    TYR  31           H        TYR  31   4.720  -5.279   7.612
  191    HA   TYR  31           HA       TYR  31   1.820  -4.948   7.562
  192    HB2  TYR  31           HB2      TYR  31   3.859  -3.727   9.454
  193    HB3  TYR  31           HB3      TYR  31   2.120  -3.565   9.580
  194    HD1  TYR  31           HD1      TYR  31   4.935  -5.950   9.846
  195    HD2  TYR  31           HD2      TYR  31   0.818  -5.249  10.628
  196    HE1  TYR  31           HE1      TYR  31   4.870  -7.937  11.293
  197    HE2  TYR  31           HE2      TYR  31   0.743  -7.225  12.067
  198    HH   TYR  31           HH       TYR  31   3.521  -8.776  13.166
  199    H    TYR  32           H        TYR  32   4.723  -3.364   6.587
  200    HA   TYR  32           HA       TYR  32   3.204  -0.942   5.943
  201    HB2  TYR  32           HB2      TYR  32   5.433  -0.760   7.185
  202    HB3  TYR  32           HB3      TYR  32   6.173  -1.334   5.713
  203    HD1  TYR  32           HD1      TYR  32   4.048   1.397   7.015
  204    HD2  TYR  32           HD2      TYR  32   6.784   0.146   4.015
  205    HE1  TYR  32           HE1      TYR  32   4.180   3.698   6.186
  206    HE2  TYR  32           HE2      TYR  32   6.918   2.449   3.167
  207    HH   TYR  32           HH       TYR  32   5.678   4.508   3.218
  208    H    SER  33           H        SER  33   2.339  -0.952   3.988
  209    HA   SER  33           HA       SER  33   3.999  -1.807   1.753
  210    HB2  SER  33           HB2      SER  33   0.990  -2.166   2.048
  211    HB3  SER  33           HB3      SER  33   1.953  -2.655   0.648
  212    HG   SER  33           HG       SER  33   3.132  -3.716   2.731
  213    H    GLN  34           H        GLN  34   3.663  -0.403  -0.156
  214    HA   GLN  34           HA       GLN  34   2.429   2.146   0.597
  215    HB2  GLN  34           HB2      GLN  34   4.708   2.200   1.410
  216    HB3  GLN  34           HB3      GLN  34   5.307   1.747  -0.170
  217    HG2  GLN  34           HG2      GLN  34   4.650   3.838  -1.087
  218    HG3  GLN  34           HG3      GLN  34   3.828   4.287   0.409
  219   HE21  GLN  34          HE21      GLN  34   6.879   3.906  -1.149
  220   HE22  GLN  34          HE22      GLN  34   7.816   4.676   0.079
  221    H    CYS  35           H        CYS  35   1.738   3.397  -1.095
  222    HA   CYS  35           HA       CYS  35   1.406   2.135  -3.640
  223    HB2  CYS  35           HB2      CYS  35   0.764   4.961  -2.787
  224    HB3  CYS  35           HB3      CYS  35   0.276   4.230  -4.311
  225    H    LEU  36           H        LEU  36   2.962   1.960  -4.997
  226    HA   LEU  36           HA       LEU  36   4.593   4.263  -5.696
  227    HB2  LEU  36           HB2      LEU  36   5.552   1.428  -5.271
  228    HB3  LEU  36           HB3      LEU  36   6.509   2.715  -5.973
  229    HG   LEU  36           HG       LEU  36   5.444   2.759  -3.148
  230   HD11  LEU  36          HD11      LEU  36   8.184   2.037  -4.172
  231   HD12  LEU  36          HD12      LEU  36   7.027   0.930  -3.432
  232   HD13  LEU  36          HD13      LEU  36   7.732   2.231  -2.479
  233   HD21  LEU  36          HD21      LEU  36   5.883   4.970  -4.090
  234   HD22  LEU  36          HD22      LEU  36   7.493   4.450  -4.580
  235   HD23  LEU  36          HD23      LEU  36   7.090   4.566  -2.869
  236    H1   MAN 101           H1       MAN 101  -4.647   8.226  -4.556
  237    H2   MAN 101           H2       MAN 101  -4.931  10.549  -3.571
  238    H3   MAN 101           H3       MAN 101  -7.045  11.132  -4.589
  239    H4   MAN 101           H4       MAN 101  -5.460  11.064  -7.189
  240    H5   MAN 101           H5       MAN 101  -7.808   9.351  -6.243
  241    H61  MAN 101           H61      MAN 101  -7.646   9.729  -8.720
  242    H62  MAN 101           H62      MAN 101  -7.458   8.031  -8.246
  243    HO2  MAN 101           HO2      MAN 101  -3.732  11.527  -5.246
  244    HO3  MAN 101           HO3      MAN 101  -6.362  13.129  -5.454
  245    HO4  MAN 101           HO4      MAN 101  -7.540  11.619  -8.065
  246    HO6  MAN 101           HO6      MAN 101  -5.050   9.033  -8.109
  Start of MODEL    7
    1    H1   THR   1           H1       THR   1  -9.592   6.642  -3.465
    2    H2   THR   1           H2       THR   1  -8.663   7.980  -3.027
    3    H3   THR   1           H3       THR   1  -9.043   6.834  -1.871
    4    HA   THR   1           HA       THR   1  -7.694   5.232  -3.081
    5    HB   THR   1           HB       THR   1  -6.105   6.301  -4.788
    6   HG21  THR   1          HG21      THR   1  -7.658   5.780  -6.634
    7   HG22  THR   1          HG22      THR   1  -9.031   6.016  -5.563
    8   HG23  THR   1          HG23      THR   1  -7.936   4.660  -5.303
    9    H    GLN   2           H        GLN   2  -5.507   5.010  -2.550
   10    HA   GLN   2           HA       GLN   2  -4.528   6.760  -0.486
   11    HB2  GLN   2           HB2      GLN   2  -4.327   4.243  -0.450
   12    HB3  GLN   2           HB3      GLN   2  -3.241   4.361  -1.821
   13    HG2  GLN   2           HG2      GLN   2  -1.863   4.121   0.066
   14    HG3  GLN   2           HG3      GLN   2  -1.772   5.815  -0.395
   15   HE21  GLN   2          HE21      GLN   2  -4.402   4.245   1.345
   16   HE22  GLN   2          HE22      GLN   2  -4.193   5.105   2.809
   17    H    SER   3           H        SER   3  -2.663   8.058  -0.722
   18    HA   SER   3           HA       SER   3  -2.137   8.922  -3.413
   19    HB2  SER   3           HB2      SER   3  -1.136   9.960  -0.756
   20    HB3  SER   3           HB3      SER   3  -0.939  10.765  -2.313
   21    HG   SER   3           HG       SER   3  -3.000  11.244  -2.378
   22    H    HIS   4           H        HIS   4   0.174   9.489  -3.962
   23    HA   HIS   4           HA       HIS   4   1.749   7.153  -4.062
   24    HB2  HIS   4           HB2      HIS   4   1.688   9.018  -5.784
   25    HB3  HIS   4           HB3      HIS   4   2.602  10.002  -4.659
   26    HD1  HIS   4           HD1      HIS   4   4.611  10.209  -6.271
   27    HD2  HIS   4           HD2      HIS   4   3.659   6.279  -5.336
   28    HE1  HIS   4           HE1      HIS   4   6.473   8.831  -7.195
   29    HE2  HIS   4           HE2      HIS   4   5.653   6.484  -6.950
   30    H    TYR   5           H        TYR   5   3.239   6.432  -2.748
   31    HA   TYR   5           HA       TYR   5   4.703   6.154  -1.124
   32    HB2  TYR   5           HB2      TYR   5   4.647   9.153  -0.670
   33    HB3  TYR   5           HB3      TYR   5   5.717   8.038   0.160
   34    HD1  TYR   5           HD1      TYR   5   7.282   6.623  -1.426
   35    HD2  TYR   5           HD2      TYR   5   5.349  10.237  -2.532
   36    HE1  TYR   5           HE1      TYR   5   8.965   6.981  -3.187
   37    HE2  TYR   5           HE2      TYR   5   7.011  10.601  -4.295
   38    HH   TYR   5           HH       TYR   5   9.134   8.192  -5.310
   39    H    GLY   6           H        GLY   6   1.622   6.667  -0.778
   40    HA2  GLY   6           HA2      GLY   6   1.565   6.932   2.111
   41    HA3  GLY   6           HA3      GLY   6   0.176   6.772   1.038
   42    H    GLN   7           H        GLN   7   0.539   5.280   3.420
   43    HA   GLN   7           HA       GLN   7   1.445   2.646   2.668
   44    HB2  GLN   7           HB2      GLN   7   1.631   3.551   5.036
   45    HB3  GLN   7           HB3      GLN   7  -0.121   3.444   5.136
   46    HG2  GLN   7           HG2      GLN   7  -0.022   1.034   4.827
   47    HG3  GLN   7           HG3      GLN   7   1.730   1.110   4.678
   48   HE21  GLN   7          HE21      GLN   7   0.192  -0.403   6.595
   49   HE22  GLN   7          HE22      GLN   7   0.646   0.130   8.144
   50    H    CYS   8           H        CYS   8   0.234   1.590   1.259
   51    HA   CYS   8           HA       CYS   8  -2.492   2.235   0.823
   52    HB2  CYS   8           HB2      CYS   8  -2.322   0.318  -0.854
   53    HB3  CYS   8           HB3      CYS   8  -1.310   1.739  -1.108
   54    H    GLY   9           H        GLY   9  -1.014  -0.861   1.817
   55    HA2  GLY   9           HA2      GLY   9  -3.111  -1.330   3.639
   56    HA3  GLY   9           HA3      GLY   9  -3.471  -2.135   2.129
   57    H    GLY  10           H        GLY  10  -1.058  -1.816   4.617
   58    HA2  GLY  10           HA2      GLY  10  -0.151  -4.535   4.034
   59    HA3  GLY  10           HA3      GLY  10   0.674  -3.378   5.089
   60    H    ILE  11           H        ILE  11   0.360  -5.684   6.291
   61    HA   ILE  11           HA       ILE  11  -2.131  -6.167   7.497
   62    HB   ILE  11           HB       ILE  11   0.611  -6.748   8.685
   63   HG12  ILE  11          HG12      ILE  11  -1.124  -8.560   6.986
   64   HG13  ILE  11          HG13      ILE  11   0.278  -7.685   6.377
   65   HG21  ILE  11          HG21      ILE  11  -1.217  -6.941  10.306
   66   HG22  ILE  11          HG22      ILE  11  -0.554  -8.529   9.920
   67   HG23  ILE  11          HG23      ILE  11  -2.086  -8.018   9.208
   68   HD11  ILE  11          HD11      ILE  11   0.311  -9.785   8.534
   69   HD12  ILE  11          HD12      ILE  11   1.716  -8.931   7.897
   70   HD13  ILE  11          HD13      ILE  11   0.795 -10.016   6.855
   71    H    GLY  12           H        GLY  12  -3.218  -4.882   8.815
   72    HA2  GLY  12           HA2      GLY  12  -3.317  -3.841  10.990
   73    HA3  GLY  12           HA3      GLY  12  -1.708  -3.204  10.687
   74    H    TYR  13           H        TYR  13  -2.968  -2.851   7.788
   75    HA   TYR  13           HA       TYR  13  -4.072  -0.212   8.433
   76    HB2  TYR  13           HB2      TYR  13  -1.925  -0.310   7.069
   77    HB3  TYR  13           HB3      TYR  13  -2.866  -1.071   5.792
   78    HD1  TYR  13           HD1      TYR  13  -2.187   2.025   7.599
   79    HD2  TYR  13           HD2      TYR  13  -4.500   0.241   4.511
   80    HE1  TYR  13           HE1      TYR  13  -2.819   4.253   6.804
   81    HE2  TYR  13           HE2      TYR  13  -5.149   2.465   3.700
   82    HH   TYR  13           HH       TYR  13  -3.540   5.265   4.777
   83    H    SER  14           H        SER  14  -6.153   0.112   7.973
   84    HA   SER  14           HA       SER  14  -7.490  -1.796   6.204
   85    HB2  SER  14           HB2      SER  14  -9.440  -1.292   7.891
   86    HB3  SER  14           HB3      SER  14  -8.213  -2.506   8.263
   87    HG   SER  14           HG       SER  14  -7.650  -1.382   9.864
   88    H    GLY  15           H        GLY  15  -6.503   1.140   6.063
   89    HA2  GLY  15           HA2      GLY  15  -8.976   2.580   5.544
   90    HA3  GLY  15           HA3      GLY  15  -7.346   3.226   5.430
   91    HA   PRO  16           HA       PRO  16  -8.747   2.813   1.064
   92    HB2  PRO  16           HB2      PRO  16  -7.006   4.738   0.135
   93    HB3  PRO  16           HB3      PRO  16  -8.651   5.059   0.685
   94    HG2  PRO  16           HG2      PRO  16  -6.067   5.459   2.104
   95    HG3  PRO  16           HG3      PRO  16  -7.557   6.416   2.176
   96    HD2  PRO  16           HD2      PRO  16  -6.785   4.679   4.113
   97    HD3  PRO  16           HD3      PRO  16  -8.481   5.087   3.784
   98    H    THR  17           H        THR  17  -7.921   0.886   0.523
   99    HA   THR  17           HA       THR  17  -5.109   0.344   0.581
  100    HB   THR  17           HB       THR  17  -6.007  -1.945  -0.154
  101    HG1  THR  17           HG1      THR  17  -8.056  -2.034  -0.564
  102   HG21  THR  17          HG21      THR  17  -5.394  -1.393   2.180
  103   HG22  THR  17          HG22      THR  17  -6.819  -2.437   2.123
  104   HG23  THR  17          HG23      THR  17  -6.999  -0.709   2.426
  105    H    VAL  18           H        VAL  18  -7.268   1.530  -1.731
  106    HA   VAL  18           HA       VAL  18  -5.743   0.449  -3.983
  107    HB   VAL  18           HB       VAL  18  -8.298   2.098  -3.954
  108   HG11  VAL  18          HG11      VAL  18  -8.427   1.661  -6.365
  109   HG12  VAL  18          HG12      VAL  18  -6.862   0.853  -6.305
  110   HG13  VAL  18          HG13      VAL  18  -6.974   2.578  -5.963
  111   HG21  VAL  18          HG21      VAL  18  -7.825  -0.779  -4.682
  112   HG22  VAL  18          HG22      VAL  18  -9.374   0.061  -4.712
  113   HG23  VAL  18          HG23      VAL  18  -8.542  -0.213  -3.178
  114    H    CYS  19           H        CYS  19  -4.228   1.601  -4.899
  115    HA   CYS  19           HA       CYS  19  -3.554   4.189  -3.879
  116    HB2  CYS  19           HB2      CYS  19  -2.274   2.514  -6.036
  117    HB3  CYS  19           HB3      CYS  19  -1.574   3.940  -5.282
  118    H    ALA  20           H        ALA  20  -2.747   5.823  -5.550
  119    HA   ALA  20           HA       ALA  20  -4.945   6.685  -7.116
  120    HB1  ALA  20           HB1      ALA  20  -3.505   8.561  -7.714
  121    HB2  ALA  20           HB2      ALA  20  -2.103   7.705  -7.081
  122    HB3  ALA  20           HB3      ALA  20  -3.370   8.238  -5.982
  123    H    SER  21           H        SER  21  -4.737   7.251  -9.449
  124    HA   SER  21           HA       SER  21  -4.045   4.950 -10.908
  125    HB2  SER  21           HB2      SER  21  -4.651   7.740 -11.911
  126    HB3  SER  21           HB3      SER  21  -4.724   6.254 -12.857
  127    HG   SER  21           HG       SER  21  -6.207   5.864 -10.707
  128    H    GLY  22           H        GLY  22  -2.026   4.386 -11.385
  129    HA2  GLY  22           HA2      GLY  22  -0.056   4.888 -12.666
  130    HA3  GLY  22           HA3      GLY  22  -0.106   6.518 -12.007
  131    H    THR  23           H        THR  23  -0.948   4.426  -9.582
  132    HA   THR  23           HA       THR  23   1.826   3.973  -8.784
  133    HB   THR  23           HB       THR  23   1.241   4.590  -6.429
  134    HG1  THR  23           HG1      THR  23  -1.232   4.982  -7.620
  135   HG21  THR  23          HG21      THR  23   1.244   7.018  -6.723
  136   HG22  THR  23          HG22      THR  23   0.792   6.816  -8.418
  137   HG23  THR  23          HG23      THR  23   2.358   6.244  -7.851
  138    H    THR  24           H        THR  24   2.150   2.090  -7.622
  139    HA   THR  24           HA       THR  24  -0.208   0.352  -7.465
  140    HB   THR  24           HB       THR  24   1.493  -1.528  -7.742
  141    HG1  THR  24           HG1      THR  24   3.156   0.671  -7.914
  142   HG21  THR  24          HG21      THR  24  -0.020  -0.881  -9.552
  143   HG22  THR  24          HG22      THR  24   1.567  -1.295 -10.201
  144   HG23  THR  24          HG23      THR  24   1.093   0.398 -10.040
  145    H    CYS  25           H        CYS  25  -0.395  -1.009  -5.685
  146    HA   CYS  25           HA       CYS  25   0.848  -0.017  -3.304
  147    HB2  CYS  25           HB2      CYS  25  -1.522  -0.674  -3.277
  148    HB3  CYS  25           HB3      CYS  25  -1.082  -2.316  -3.723
  149    H    GLN  26           H        GLN  26   2.954  -0.513  -3.200
  150    HA   GLN  26           HA       GLN  26   3.854  -3.198  -3.840
  151    HB2  GLN  26           HB2      GLN  26   5.370  -0.682  -3.151
  152    HB3  GLN  26           HB3      GLN  26   6.109  -2.218  -3.566
  153    HG2  GLN  26           HG2      GLN  26   4.317  -0.637  -5.408
  154    HG3  GLN  26           HG3      GLN  26   6.076  -0.569  -5.413
  155   HE21  GLN  26          HE21      GLN  26   6.221  -1.290  -7.475
  156   HE22  GLN  26          HE22      GLN  26   5.922  -2.918  -7.946
  157    H    VAL  27           H        VAL  27   4.177  -4.635  -2.324
  158    HA   VAL  27           HA       VAL  27   3.928  -3.884   0.449
  159    HB   VAL  27           HB       VAL  27   4.352  -6.592  -0.858
  160   HG11  VAL  27          HG11      VAL  27   3.703  -7.554   1.284
  161   HG12  VAL  27          HG12      VAL  27   3.599  -5.942   1.990
  162   HG13  VAL  27          HG13      VAL  27   5.157  -6.569   1.449
  163   HG21  VAL  27          HG21      VAL  27   2.220  -5.601  -1.457
  164   HG22  VAL  27          HG22      VAL  27   1.858  -5.309   0.243
  165   HG23  VAL  27          HG23      VAL  27   1.977  -6.961  -0.360
  166    H    LEU  28           H        LEU  28   5.654  -3.067   1.355
  167    HA   LEU  28           HA       LEU  28   8.325  -3.798   0.445
  168    HB2  LEU  28           HB2      LEU  28   7.439  -1.760   2.498
  169    HB3  LEU  28           HB3      LEU  28   9.066  -1.941   1.868
  170    HG   LEU  28           HG       LEU  28   6.658  -1.097   0.239
  171   HD11  LEU  28          HD11      LEU  28   8.971   0.510   1.292
  172   HD12  LEU  28          HD12      LEU  28   7.283   0.613   1.804
  173   HD13  LEU  28          HD13      LEU  28   7.742   1.089   0.170
  174   HD21  LEU  28          HD21      LEU  28   8.289  -0.537  -1.461
  175   HD22  LEU  28          HD22      LEU  28   8.317  -2.271  -1.093
  176   HD23  LEU  28          HD23      LEU  28   9.569  -1.194  -0.445
  177    H    ASN  29           H        ASN  29   6.312  -3.834   3.299
  178    HA   ASN  29           HA       ASN  29   7.934  -5.983   4.462
  179    HB2  ASN  29           HB2      ASN  29   6.605  -3.700   5.976
  180    HB3  ASN  29           HB3      ASN  29   7.430  -5.069   6.697
  181   HD21  ASN  29          HD21      ASN  29   7.850  -2.284   7.046
  182   HD22  ASN  29          HD22      ASN  29   9.464  -1.902   6.600
  183    HA   PRO  30           HA       PRO  30   3.949  -7.944   4.737
  184    HB2  PRO  30           HB2      PRO  30   4.250  -8.211   7.694
  185    HB3  PRO  30           HB3      PRO  30   3.904  -9.458   6.493
  186    HG2  PRO  30           HG2      PRO  30   6.316  -9.298   7.568
  187    HG3  PRO  30           HG3      PRO  30   6.135  -9.620   5.832
  188    HD2  PRO  30           HD2      PRO  30   6.853  -7.072   7.219
  189    HD3  PRO  30           HD3      PRO  30   7.535  -7.753   5.732
  190    H    TYR  31           H        TYR  31   4.605  -5.548   7.254
  191    HA   TYR  31           HA       TYR  31   1.739  -4.990   7.503
  192    HB2  TYR  31           HB2      TYR  31   4.065  -3.912   9.115
  193    HB3  TYR  31           HB3      TYR  31   2.360  -3.686   9.472
  194    HD1  TYR  31           HD1      TYR  31   1.144  -5.356  10.675
  195    HD2  TYR  31           HD2      TYR  31   5.084  -6.183   9.320
  196    HE1  TYR  31           HE1      TYR  31   1.185  -7.400  12.043
  197    HE2  TYR  31           HE2      TYR  31   5.132  -8.223  10.678
  198    HH   TYR  31           HH       TYR  31   2.353  -9.526  12.012
  199    H    TYR  32           H        TYR  32   4.710  -3.624   6.247
  200    HA   TYR  32           HA       TYR  32   3.290  -1.129   5.761
  201    HB2  TYR  32           HB2      TYR  32   5.429  -0.907   6.956
  202    HB3  TYR  32           HB3      TYR  32   6.264  -1.621   5.579
  203    HD1  TYR  32           HD1      TYR  32   3.905   1.168   6.325
  204    HD2  TYR  32           HD2      TYR  32   7.268  -0.150   4.069
  205    HE1  TYR  32           HE1      TYR  32   4.142   3.412   5.378
  206    HE2  TYR  32           HE2      TYR  32   7.507   2.092   3.114
  207    HH   TYR  32           HH       TYR  32   6.269   4.070   2.754
  208    H    SER  33           H        SER  33   2.367  -0.969   3.925
  209    HA   SER  33           HA       SER  33   3.753  -1.895   1.522
  210    HB2  SER  33           HB2      SER  33   0.754  -1.768   2.010
  211    HB3  SER  33           HB3      SER  33   1.543  -2.356   0.547
  212    HG   SER  33           HG       SER  33   0.920  -4.071   1.900
  213    H    GLN  34           H        GLN  34   3.851  -0.315  -0.082
  214    HA   GLN  34           HA       GLN  34   2.645   2.260   0.599
  215    HB2  GLN  34           HB2      GLN  34   4.855   2.501   1.392
  216    HB3  GLN  34           HB3      GLN  34   5.530   1.674  -0.001
  217    HG2  GLN  34           HG2      GLN  34   5.067   3.553  -1.406
  218    HG3  GLN  34           HG3      GLN  34   4.196   4.369  -0.103
  219   HE21  GLN  34          HE21      GLN  34   5.360   5.469   1.452
  220   HE22  GLN  34          HE22      GLN  34   7.056   5.686   1.354
  221    H    CYS  35           H        CYS  35   1.873   3.420  -1.031
  222    HA   CYS  35           HA       CYS  35   1.593   2.216  -3.598
  223    HB2  CYS  35           HB2      CYS  35   0.885   4.992  -2.657
  224    HB3  CYS  35           HB3      CYS  35   0.444   4.321  -4.221
  225    H    LEU  36           H        LEU  36   3.235   2.064  -4.829
  226    HA   LEU  36           HA       LEU  36   4.920   4.396  -5.288
  227    HB2  LEU  36           HB2      LEU  36   5.585   1.461  -5.449
  228    HB3  LEU  36           HB3      LEU  36   6.634   2.725  -6.058
  229    HG   LEU  36           HG       LEU  36   5.819   2.413  -3.163
  230   HD11  LEU  36          HD11      LEU  36   8.113   1.713  -2.796
  231   HD12  LEU  36          HD12      LEU  36   8.430   1.786  -4.532
  232   HD13  LEU  36          HD13      LEU  36   7.286   0.602  -3.888
  233   HD21  LEU  36          HD21      LEU  36   7.801   4.255  -4.500
  234   HD22  LEU  36          HD22      LEU  36   7.582   4.075  -2.763
  235   HD23  LEU  36          HD23      LEU  36   6.276   4.729  -3.748
  236    H1   MAN 101           H1       MAN 101  -5.541   8.217  -5.966
  237    H2   MAN 101           H2       MAN 101  -6.518  10.465  -5.231
  238    H3   MAN 101           H3       MAN 101  -8.810  10.219  -5.994
  239    H4   MAN 101           H4       MAN 101  -7.544  10.065  -8.727
  240    H5   MAN 101           H5       MAN 101  -9.036   7.985  -7.027
  241    H61  MAN 101           H61      MAN 101  -8.547   6.384  -8.813
  242    H62  MAN 101           H62      MAN 101  -7.869   7.660  -9.847
  243    HO2  MAN 101           HO2      MAN 101  -5.850  11.460  -7.176
  244    HO3  MAN 101           HO3      MAN 101  -7.814  12.338  -6.197
  245    HO4  MAN 101           HO4      MAN 101  -9.487  11.195  -8.429
  246    HO6  MAN 101           HO6      MAN 101 -10.111   8.651  -9.306
  Start of MODEL    8
    1    H1   THR   1           H1       THR   1  -8.656   7.353  -1.039
    2    H2   THR   1           H2       THR   1  -9.257   7.469  -2.612
    3    H3   THR   1           H3       THR   1  -8.090   8.562  -2.054
    4    HA   THR   1           HA       THR   1  -7.645   5.687  -2.457
    5    HB   THR   1           HB       THR   1  -5.968   6.540  -4.097
    6   HG21  THR   1          HG21      THR   1  -7.621   7.021  -5.890
    7   HG22  THR   1          HG22      THR   1  -8.844   7.345  -4.666
    8   HG23  THR   1          HG23      THR   1  -8.185   5.722  -4.842
    9    H    GLN   2           H        GLN   2  -5.099   5.500  -2.447
   10    HA   GLN   2           HA       GLN   2  -4.081   7.161  -0.278
   11    HB2  GLN   2           HB2      GLN   2  -4.051   4.632   0.017
   12    HB3  GLN   2           HB3      GLN   2  -2.907   4.569  -1.321
   13    HG2  GLN   2           HG2      GLN   2  -1.690   4.517   0.759
   14    HG3  GLN   2           HG3      GLN   2  -1.392   6.041  -0.072
   15   HE21  GLN   2          HE21      GLN   2  -4.305   5.243   1.724
   16   HE22  GLN   2          HE22      GLN   2  -4.081   6.426   2.957
   17    H    SER   3           H        SER   3  -2.191   8.322  -0.668
   18    HA   SER   3           HA       SER   3  -1.760   8.985  -3.417
   19    HB2  SER   3           HB2      SER   3  -0.345   9.977  -0.944
   20    HB3  SER   3           HB3      SER   3  -0.354  10.741  -2.533
   21    HG   SER   3           HG       SER   3  -2.874  10.279  -1.640
   22    H    HIS   4           H        HIS   4   0.404   9.152  -4.315
   23    HA   HIS   4           HA       HIS   4   1.980   6.807  -4.191
   24    HB2  HIS   4           HB2      HIS   4   1.808   8.472  -6.109
   25    HB3  HIS   4           HB3      HIS   4   2.788   9.566  -5.162
   26    HD1  HIS   4           HD1      HIS   4   5.013   9.640  -6.220
   27    HD2  HIS   4           HD2      HIS   4   3.471   5.797  -6.181
   28    HE1  HIS   4           HE1      HIS   4   6.737   8.215  -7.359
   29    HE2  HIS   4           HE2      HIS   4   5.662   5.964  -7.552
   30    H    TYR   5           H        TYR   5   3.589   6.275  -2.812
   31    HA   TYR   5           HA       TYR   5   5.050   6.278  -1.140
   32    HB2  TYR   5           HB2      TYR   5   5.041   9.273  -1.439
   33    HB3  TYR   5           HB3      TYR   5   5.892   8.492  -0.118
   34    HD1  TYR   5           HD1      TYR   5   5.850   9.101  -3.706
   35    HD2  TYR   5           HD2      TYR   5   7.844   7.137  -0.521
   36    HE1  TYR   5           HE1      TYR   5   7.797   8.736  -5.156
   37    HE2  TYR   5           HE2      TYR   5   9.795   6.762  -1.961
   38    HH   TYR   5           HH       TYR   5  10.174   8.325  -4.923
   39    H    GLY   6           H        GLY   6   2.039   6.778  -0.904
   40    HA2  GLY   6           HA2      GLY   6   2.037   7.256   1.970
   41    HA3  GLY   6           HA3      GLY   6   0.614   7.197   0.923
   42    H    GLN   7           H        GLN   7   0.836   5.742   3.285
   43    HA   GLN   7           HA       GLN   7   1.576   3.052   2.573
   44    HB2  GLN   7           HB2      GLN   7   2.015   3.721   4.854
   45    HB3  GLN   7           HB3      GLN   7   0.336   4.190   5.087
   46    HG2  GLN   7           HG2      GLN   7  -0.363   1.872   4.913
   47    HG3  GLN   7           HG3      GLN   7   1.296   1.378   4.588
   48   HE21  GLN   7          HE21      GLN   7  -0.600   0.674   6.746
   49   HE22  GLN   7          HE22      GLN   7   0.225   1.020   8.208
   50    H    CYS   8           H        CYS   8   0.328   2.149   1.121
   51    HA   CYS   8           HA       CYS   8  -2.444   2.578   0.805
   52    HB2  CYS   8           HB2      CYS   8  -2.297   0.491  -0.642
   53    HB3  CYS   8           HB3      CYS   8  -1.271   1.840  -1.109
   54    H    GLY   9           H        GLY   9  -0.605   0.013   2.341
   55    HA2  GLY   9           HA2      GLY   9  -1.998  -0.391   4.501
   56    HA3  GLY   9           HA3      GLY   9  -3.125  -1.035   3.321
   57    H    GLY  10           H        GLY  10  -0.626  -1.683   5.354
   58    HA2  GLY  10           HA2      GLY  10  -0.036  -4.191   4.009
   59    HA3  GLY  10           HA3      GLY  10   0.849  -3.525   5.382
   60    H    ILE  11           H        ILE  11   0.444  -5.656   6.347
   61    HA   ILE  11           HA       ILE  11  -2.125  -6.581   6.987
   62    HB   ILE  11           HB       ILE  11   0.452  -6.966   8.555
   63   HG12  ILE  11          HG12      ILE  11  -0.770  -8.720   6.402
   64   HG13  ILE  11          HG13      ILE  11   0.595  -7.640   6.159
   65   HG21  ILE  11          HG21      ILE  11  -1.521  -7.566   9.866
   66   HG22  ILE  11          HG22      ILE  11  -0.624  -9.015   9.409
   67   HG23  ILE  11          HG23      ILE  11  -2.104  -8.586   8.550
   68   HD11  ILE  11          HD11      ILE  11   1.297  -9.955   6.431
   69   HD12  ILE  11          HD12      ILE  11   0.530 -10.001   8.021
   70   HD13  ILE  11          HD13      ILE  11   1.911  -8.944   7.740
   71    H    GLY  12           H        GLY  12  -3.609  -5.604   8.196
   72    HA2  GLY  12           HA2      GLY  12  -4.279  -4.921  10.423
   73    HA3  GLY  12           HA3      GLY  12  -2.732  -4.101  10.576
   74    H    TYR  13           H        TYR  13  -3.494  -3.381   7.570
   75    HA   TYR  13           HA       TYR  13  -4.900  -0.898   8.329
   76    HB2  TYR  13           HB2      TYR  13  -2.594  -0.805   7.287
   77    HB3  TYR  13           HB3      TYR  13  -3.279  -1.544   5.856
   78    HD1  TYR  13           HD1      TYR  13  -5.348  -0.147   4.815
   79    HD2  TYR  13           HD2      TYR  13  -2.323   1.461   7.325
   80    HE1  TYR  13           HE1      TYR  13  -5.756   2.086   3.873
   81    HE2  TYR  13           HE2      TYR  13  -2.738   3.692   6.400
   82    HH   TYR  13           HH       TYR  13  -3.633   4.534   4.168
   83    H    SER  14           H        SER  14  -6.973  -0.633   7.503
   84    HA   SER  14           HA       SER  14  -7.748  -2.424   5.311
   85    HB2  SER  14           HB2      SER  14  -9.984  -2.598   6.519
   86    HB3  SER  14           HB3      SER  14  -8.620  -3.481   7.212
   87    HG   SER  14           HG       SER  14  -8.551  -2.182   8.847
   88    H    GLY  15           H        GLY  15  -7.341   0.705   6.022
   89    HA2  GLY  15           HA2      GLY  15  -9.862   1.805   5.175
   90    HA3  GLY  15           HA3      GLY  15  -8.391   2.684   5.514
   91    HA   PRO  16           HA       PRO  16  -8.700   3.228   1.031
   92    HB2  PRO  16           HB2      PRO  16  -6.779   5.181   0.882
   93    HB3  PRO  16           HB3      PRO  16  -8.473   5.497   1.263
   94    HG2  PRO  16           HG2      PRO  16  -6.131   5.271   3.093
   95    HG3  PRO  16           HG3      PRO  16  -7.517   6.372   3.174
   96    HD2  PRO  16           HD2      PRO  16  -7.292   4.148   4.731
   97    HD3  PRO  16           HD3      PRO  16  -8.853   4.811   4.212
   98    H    THR  17           H        THR  17  -7.863   1.206   0.656
   99    HA   THR  17           HA       THR  17  -4.991   0.780   0.660
  100    HB   THR  17           HB       THR  17  -5.735  -1.586   0.003
  101    HG1  THR  17           HG1      THR  17  -8.264  -0.759   0.950
  102   HG21  THR  17          HG21      THR  17  -6.786  -0.450   2.607
  103   HG22  THR  17          HG22      THR  17  -5.130  -0.984   2.323
  104   HG23  THR  17          HG23      THR  17  -6.453  -2.151   2.287
  105    H    VAL  18           H        VAL  18  -7.469   1.680  -1.434
  106    HA   VAL  18           HA       VAL  18  -6.234   0.755  -3.857
  107    HB   VAL  18           HB       VAL  18  -8.489   2.759  -3.468
  108   HG11  VAL  18          HG11      VAL  18  -8.975   2.409  -5.854
  109   HG12  VAL  18          HG12      VAL  18  -7.557   1.371  -5.992
  110   HG13  VAL  18          HG13      VAL  18  -7.361   3.084  -5.626
  111   HG21  VAL  18          HG21      VAL  18  -9.005   0.470  -2.695
  112   HG22  VAL  18          HG22      VAL  18  -8.617  -0.142  -4.301
  113   HG23  VAL  18          HG23      VAL  18  -9.978   0.953  -4.077
  114    H    CYS  19           H        CYS  19  -4.527   1.631  -4.664
  115    HA   CYS  19           HA       CYS  19  -3.510   4.147  -3.788
  116    HB2  CYS  19           HB2      CYS  19  -2.538   2.189  -5.858
  117    HB3  CYS  19           HB3      CYS  19  -1.675   3.656  -5.413
  118    H    ALA  20           H        ALA  20  -2.540   5.601  -5.542
  119    HA   ALA  20           HA       ALA  20  -4.655   6.775  -6.983
  120    HB1  ALA  20           HB1      ALA  20  -2.812   8.049  -5.971
  121    HB2  ALA  20           HB2      ALA  20  -2.962   8.352  -7.705
  122    HB3  ALA  20           HB3      ALA  20  -1.691   7.289  -7.102
  123    H    SER  21           H        SER  21  -4.614   7.227  -9.266
  124    HA   SER  21           HA       SER  21  -4.384   4.864 -10.765
  125    HB2  SER  21           HB2      SER  21  -4.755   7.724 -11.696
  126    HB3  SER  21           HB3      SER  21  -5.137   6.269 -12.619
  127    HG   SER  21           HG       SER  21  -6.280   6.120 -10.220
  128    H    GLY  22           H        GLY  22  -2.546   4.016 -11.366
  129    HA2  GLY  22           HA2      GLY  22  -0.692   4.125 -12.899
  130    HA3  GLY  22           HA3      GLY  22  -0.430   5.777 -12.356
  131    H    THR  23           H        THR  23  -1.158   4.294  -9.595
  132    HA   THR  23           HA       THR  23   1.654   3.574  -9.089
  133    HB   THR  23           HB       THR  23   1.332   4.307  -6.750
  134    HG1  THR  23           HG1      THR  23  -1.298   4.641  -7.655
  135   HG21  THR  23          HG21      THR  23   1.131   6.694  -7.116
  136   HG22  THR  23          HG22      THR  23   0.483   6.407  -8.734
  137   HG23  THR  23          HG23      THR  23   2.146   5.950  -8.351
  138    H    THR  24           H        THR  24   2.038   1.757  -7.733
  139    HA   THR  24           HA       THR  24  -0.338   0.082  -7.370
  140    HB   THR  24           HB       THR  24   1.264  -1.876  -7.527
  141    HG1  THR  24           HG1      THR  24   3.058   0.178  -7.817
  142   HG21  THR  24          HG21      THR  24  -0.223  -1.296  -9.374
  143   HG22  THR  24          HG22      THR  24   1.336  -1.851  -9.990
  144   HG23  THR  24          HG23      THR  24   0.956  -0.129  -9.974
  145    H    CYS  25           H        CYS  25  -0.516  -1.092  -5.476
  146    HA   CYS  25           HA       CYS  25   0.854   0.006  -3.196
  147    HB2  CYS  25           HB2      CYS  25  -1.539  -0.570  -3.033
  148    HB3  CYS  25           HB3      CYS  25  -1.177  -2.240  -3.436
  149    H    GLN  26           H        GLN  26   2.940  -0.589  -3.115
  150    HA   GLN  26           HA       GLN  26   3.593  -3.366  -3.675
  151    HB2  GLN  26           HB2      GLN  26   5.428  -0.990  -3.340
  152    HB3  GLN  26           HB3      GLN  26   5.923  -2.616  -3.789
  153    HG2  GLN  26           HG2      GLN  26   4.527  -2.426  -5.826
  154    HG3  GLN  26           HG3      GLN  26   4.186  -0.755  -5.395
  155   HE21  GLN  26          HE21      GLN  26   5.152   0.109  -7.172
  156   HE22  GLN  26          HE22      GLN  26   6.849   0.078  -7.445
  157    H    VAL  27           H        VAL  27   4.220  -4.692  -2.178
  158    HA   VAL  27           HA       VAL  27   4.017  -3.825   0.561
  159    HB   VAL  27           HB       VAL  27   4.447  -6.600  -0.593
  160   HG11  VAL  27          HG11      VAL  27   3.670  -5.775   2.197
  161   HG12  VAL  27          HG12      VAL  27   5.220  -6.453   1.701
  162   HG13  VAL  27          HG13      VAL  27   3.756  -7.429   1.589
  163   HG21  VAL  27          HG21      VAL  27   1.927  -5.261   0.370
  164   HG22  VAL  27          HG22      VAL  27   2.064  -6.956  -0.095
  165   HG23  VAL  27          HG23      VAL  27   2.314  -5.687  -1.297
  166    H    LEU  28           H        LEU  28   5.853  -2.670   0.955
  167    HA   LEU  28           HA       LEU  28   8.461  -3.577   0.241
  168    HB2  LEU  28           HB2      LEU  28   7.701  -1.643   2.443
  169    HB3  LEU  28           HB3      LEU  28   9.294  -1.830   1.747
  170    HG   LEU  28           HG       LEU  28   6.857  -0.656   0.404
  171   HD11  LEU  28          HD11      LEU  28   8.150   1.393   0.379
  172   HD12  LEU  28          HD12      LEU  28   9.493   0.569   1.168
  173   HD13  LEU  28          HD13      LEU  28   7.974   0.791   2.030
  174   HD21  LEU  28          HD21      LEU  28   8.324  -0.181  -1.484
  175   HD22  LEU  28          HD22      LEU  28   8.146  -1.920  -1.230
  176   HD23  LEU  28          HD23      LEU  28   9.623  -1.095  -0.713
  177    H    ASN  29           H        ASN  29   6.658  -3.411   3.255
  178    HA   ASN  29           HA       ASN  29   8.149  -5.727   4.266
  179    HB2  ASN  29           HB2      ASN  29   7.017  -3.433   5.946
  180    HB3  ASN  29           HB3      ASN  29   7.928  -4.837   6.497
  181   HD21  ASN  29          HD21      ASN  29   8.428  -1.943   6.848
  182   HD22  ASN  29          HD22      ASN  29  10.008  -1.678   6.207
  183    HA   PRO  30           HA       PRO  30   4.161  -7.650   4.625
  184    HB2  PRO  30           HB2      PRO  30   4.599  -7.947   7.566
  185    HB3  PRO  30           HB3      PRO  30   4.153  -9.172   6.372
  186    HG2  PRO  30           HG2      PRO  30   6.633  -9.091   7.277
  187    HG3  PRO  30           HG3      PRO  30   6.335  -9.344   5.550
  188    HD2  PRO  30           HD2      PRO  30   7.175  -6.858   6.976
  189    HD3  PRO  30           HD3      PRO  30   7.766  -7.489   5.434
  190    H    TYR  31           H        TYR  31   4.803  -5.469   7.379
  191    HA   TYR  31           HA       TYR  31   1.965  -4.852   7.468
  192    HB2  TYR  31           HB2      TYR  31   4.213  -4.014   9.325
  193    HB3  TYR  31           HB3      TYR  31   2.525  -3.583   9.542
  194    HD1  TYR  31           HD1      TYR  31   4.923  -6.422   9.589
  195    HD2  TYR  31           HD2      TYR  31   0.956  -5.146  10.468
  196    HE1  TYR  31           HE1      TYR  31   4.539  -8.493  10.826
  197    HE2  TYR  31           HE2      TYR  31   0.573  -7.228  11.714
  198    HH   TYR  31           HH       TYR  31   3.041  -9.288  12.647
  199    H    TYR  32           H        TYR  32   4.947  -3.433   6.340
  200    HA   TYR  32           HA       TYR  32   3.465  -0.941   5.913
  201    HB2  TYR  32           HB2      TYR  32   5.689  -0.677   7.043
  202    HB3  TYR  32           HB3      TYR  32   6.452  -1.312   5.590
  203    HD1  TYR  32           HD1      TYR  32   6.829   0.081   3.690
  204    HD2  TYR  32           HD2      TYR  32   4.437   1.499   6.904
  205    HE1  TYR  32           HE1      TYR  32   6.831   2.331   2.690
  206    HE2  TYR  32           HE2      TYR  32   4.437   3.749   5.922
  207    HH   TYR  32           HH       TYR  32   5.850   5.069   4.388
  208    H    SER  33           H        SER  33   2.513  -0.758   4.058
  209    HA   SER  33           HA       SER  33   3.877  -1.733   1.666
  210    HB2  SER  33           HB2      SER  33   0.896  -1.705   2.215
  211    HB3  SER  33           HB3      SER  33   1.678  -2.361   0.779
  212    HG   SER  33           HG       SER  33   2.841  -3.509   2.825
  213    H    GLN  34           H        GLN  34   3.793  -0.247  -0.080
  214    HA   GLN  34           HA       GLN  34   2.714   2.396   0.617
  215    HB2  GLN  34           HB2      GLN  34   5.087   2.300   1.215
  216    HB3  GLN  34           HB3      GLN  34   5.484   1.774  -0.410
  217    HG2  GLN  34           HG2      GLN  34   4.743   3.900  -1.293
  218    HG3  GLN  34           HG3      GLN  34   4.290   4.434   0.327
  219   HE21  GLN  34          HE21      GLN  34   5.943   4.913   1.807
  220   HE22  GLN  34          HE22      GLN  34   7.549   5.199   1.279
  221    H    CYS  35           H        CYS  35   1.947   3.580  -1.099
  222    HA   CYS  35           HA       CYS  35   1.507   2.202  -3.581
  223    HB2  CYS  35           HB2      CYS  35   0.854   5.034  -2.772
  224    HB3  CYS  35           HB3      CYS  35   0.376   4.314  -4.300
  225    H    LEU  36           H        LEU  36   3.069   1.974  -4.913
  226    HA   LEU  36           HA       LEU  36   4.642   4.271  -5.704
  227    HB2  LEU  36           HB2      LEU  36   5.580   1.437  -5.250
  228    HB3  LEU  36           HB3      LEU  36   6.514   2.651  -6.096
  229    HG   LEU  36           HG       LEU  36   5.646   2.896  -3.215
  230   HD11  LEU  36          HD11      LEU  36   7.192   1.036  -3.488
  231   HD12  LEU  36          HD12      LEU  36   7.967   2.391  -2.667
  232   HD13  LEU  36          HD13      LEU  36   8.308   2.079  -4.369
  233   HD21  LEU  36          HD21      LEU  36   7.296   4.703  -3.157
  234   HD22  LEU  36          HD22      LEU  36   6.027   5.036  -4.333
  235   HD23  LEU  36          HD23      LEU  36   7.609   4.480  -4.878
  236    H1   MAN 101           H1       MAN 101  -4.607   8.268  -4.388
  237    H2   MAN 101           H2       MAN 101  -5.093  10.617  -3.466
  238    H3   MAN 101           H3       MAN 101  -6.955  11.272  -4.803
  239    H4   MAN 101           H4       MAN 101  -5.072  10.895  -7.165
  240    H5   MAN 101           H5       MAN 101  -7.582   9.362  -6.332
  241    H61  MAN 101           H61      MAN 101  -7.295   9.543  -8.800
  242    H62  MAN 101           H62      MAN 101  -7.116   7.882  -8.211
  243    HO2  MAN 101           HO2      MAN 101  -3.542  11.510  -4.877
  244    HO3  MAN 101           HO3      MAN 101  -5.275  12.874  -4.371
  245    HO4  MAN 101           HO4      MAN 101  -6.529  12.625  -7.313
  246    HO6  MAN 101           HO6      MAN 101  -4.721   9.218  -8.162
  Start of MODEL    9
    1    H1   THR   1           H1       THR   1  -9.522   7.230  -3.701
    2    H2   THR   1           H2       THR   1  -8.506   8.502  -3.241
    3    H3   THR   1           H3       THR   1  -8.923   7.347  -2.109
    4    HA   THR   1           HA       THR   1  -7.675   5.717  -3.377
    5    HB   THR   1           HB       THR   1  -6.167   6.653  -5.155
    6   HG21  THR   1          HG21      THR   1  -7.920   6.606  -6.927
    7   HG22  THR   1          HG22      THR   1  -9.154   6.871  -5.709
    8   HG23  THR   1          HG23      THR   1  -8.231   5.363  -5.712
    9    H    GLN   2           H        GLN   2  -5.551   5.382  -2.711
   10    HA   GLN   2           HA       GLN   2  -4.531   7.305  -0.816
   11    HB2  GLN   2           HB2      GLN   2  -4.625   4.883  -0.256
   12    HB3  GLN   2           HB3      GLN   2  -3.514   4.549  -1.572
   13    HG2  GLN   2           HG2      GLN   2  -2.406   4.541   0.619
   14    HG3  GLN   2           HG3      GLN   2  -1.760   5.784  -0.452
   15   HE21  GLN   2          HE21      GLN   2  -3.718   5.168   2.330
   16   HE22  GLN   2          HE22      GLN   2  -3.680   6.776   2.977
   17    H    SER   3           H        SER   3  -2.658   8.401  -1.043
   18    HA   SER   3           HA       SER   3  -1.962   8.948  -3.749
   19    HB2  SER   3           HB2      SER   3  -1.018  10.198  -1.167
   20    HB3  SER   3           HB3      SER   3  -0.737  10.839  -2.789
   21    HG   SER   3           HG       SER   3  -2.718  11.514  -2.888
   22    H    HIS   4           H        HIS   4   0.280   9.287  -4.358
   23    HA   HIS   4           HA       HIS   4   1.862   6.973  -4.190
   24    HB2  HIS   4           HB2      HIS   4   1.766   8.735  -6.045
   25    HB3  HIS   4           HB3      HIS   4   2.746   9.755  -5.010
   26    HD1  HIS   4           HD1      HIS   4   4.839   9.817  -6.417
   27    HD2  HIS   4           HD2      HIS   4   3.475   5.974  -5.758
   28    HE1  HIS   4           HE1      HIS   4   6.604   8.319  -7.369
   29    HE2  HIS   4           HE2      HIS   4   5.609   6.045  -7.242
   30    H    TYR   5           H        TYR   5   3.389   6.415  -2.757
   31    HA   TYR   5           HA       TYR   5   4.808   6.369  -1.051
   32    HB2  TYR   5           HB2      TYR   5   4.735   9.388  -1.145
   33    HB3  TYR   5           HB3      TYR   5   5.653   8.498   0.059
   34    HD1  TYR   5           HD1      TYR   5   5.477   9.505  -3.436
   35    HD2  TYR   5           HD2      TYR   5   7.599   7.183  -0.583
   36    HE1  TYR   5           HE1      TYR   5   7.368   9.335  -4.989
   37    HE2  TYR   5           HE2      TYR   5   9.486   6.994  -2.128
   38    HH   TYR   5           HH       TYR   5   9.787   8.940  -4.849
   39    H    GLY   6           H        GLY   6   1.775   6.832  -0.899
   40    HA2  GLY   6           HA2      GLY   6   1.616   7.233   1.974
   41    HA3  GLY   6           HA3      GLY   6   0.263   7.084   0.848
   42    H    GLN   7           H        GLN   7   0.673   5.615   3.294
   43    HA   GLN   7           HA       GLN   7   1.525   2.968   2.586
   44    HB2  GLN   7           HB2      GLN   7   1.627   3.978   4.929
   45    HB3  GLN   7           HB3      GLN   7  -0.122   3.827   4.976
   46    HG2  GLN   7           HG2      GLN   7   0.066   1.404   4.770
   47    HG3  GLN   7           HG3      GLN   7   1.819   1.537   4.682
   48   HE21  GLN   7          HE21      GLN   7   0.247   0.068   6.612
   49   HE22  GLN   7          HE22      GLN   7   0.600   0.715   8.154
   50    H    CYS   8           H        CYS   8   0.321   1.632   1.422
   51    HA   CYS   8           HA       CYS   8  -2.418   2.324   0.845
   52    HB2  CYS   8           HB2      CYS   8  -2.266   0.405  -0.785
   53    HB3  CYS   8           HB3      CYS   8  -1.162   1.744  -1.067
   54    H    GLY   9           H        GLY   9  -0.838  -0.700   1.923
   55    HA2  GLY   9           HA2      GLY   9  -2.726  -1.134   3.903
   56    HA3  GLY   9           HA3      GLY   9  -3.328  -1.904   2.447
   57    H    GLY  10           H        GLY  10  -0.956  -1.939   4.924
   58    HA2  GLY  10           HA2      GLY  10   0.024  -4.532   3.997
   59    HA3  GLY  10           HA3      GLY  10   0.766  -3.540   5.253
   60    H    ILE  11           H        ILE  11   0.553  -5.797   6.328
   61    HA   ILE  11           HA       ILE  11  -1.940  -6.745   7.196
   62    HB   ILE  11           HB       ILE  11   0.706  -6.912   8.686
   63   HG12  ILE  11          HG12      ILE  11  -0.527  -8.898   6.756
   64   HG13  ILE  11          HG13      ILE  11   0.819  -7.832   6.381
   65   HG21  ILE  11          HG21      ILE  11  -0.264  -8.896   9.771
   66   HG22  ILE  11          HG22      ILE  11  -1.784  -8.606   8.928
   67   HG23  ILE  11          HG23      ILE  11  -1.200  -7.440  10.115
   68   HD11  ILE  11          HD11      ILE  11   1.584 -10.087   6.886
   69   HD12  ILE  11          HD12      ILE  11   0.821  -9.998   8.472
   70   HD13  ILE  11          HD13      ILE  11   2.173  -8.938   8.086
   71    H    GLY  12           H        GLY  12  -3.400  -5.710   8.387
   72    HA2  GLY  12           HA2      GLY  12  -4.035  -4.874  10.548
   73    HA3  GLY  12           HA3      GLY  12  -2.468  -4.091  10.646
   74    H    TYR  13           H        TYR  13  -3.168  -3.426   7.658
   75    HA   TYR  13           HA       TYR  13  -4.175  -0.805   8.405
   76    HB2  TYR  13           HB2      TYR  13  -2.187  -1.174   6.902
   77    HB3  TYR  13           HB3      TYR  13  -3.307  -1.803   5.698
   78    HD1  TYR  13           HD1      TYR  13  -1.677   1.029   7.010
   79    HD2  TYR  13           HD2      TYR  13  -5.163  -0.131   4.894
   80    HE1  TYR  13           HE1      TYR  13  -1.909   3.299   6.176
   81    HE2  TYR  13           HE2      TYR  13  -5.406   2.172   4.046
   82    HH   TYR  13           HH       TYR  13  -2.946   4.241   4.057
   83    H    SER  14           H        SER  14  -6.307  -0.504   8.416
   84    HA   SER  14           HA       SER  14  -7.972  -2.050   6.576
   85    HB2  SER  14           HB2      SER  14  -9.726  -1.572   8.407
   86    HB3  SER  14           HB3      SER  14  -8.468  -2.764   8.743
   87    HG   SER  14           HG       SER  14  -8.209  -1.591  10.444
   88    H    GLY  15           H        GLY  15  -6.655   0.721   6.386
   89    HA2  GLY  15           HA2      GLY  15  -9.038   2.393   6.065
   90    HA3  GLY  15           HA3      GLY  15  -7.373   2.955   6.048
   91    HA   PRO  16           HA       PRO  16  -8.648   3.069   1.654
   92    HB2  PRO  16           HB2      PRO  16  -6.934   5.052   0.925
   93    HB3  PRO  16           HB3      PRO  16  -8.500   5.348   1.686
   94    HG2  PRO  16           HG2      PRO  16  -5.776   5.379   2.886
   95    HG3  PRO  16           HG3      PRO  16  -7.160   6.433   3.217
   96    HD2  PRO  16           HD2      PRO  16  -6.405   4.335   4.815
   97    HD3  PRO  16           HD3      PRO  16  -8.059   4.969   4.728
   98    H    THR  17           H        THR  17  -7.907   1.272   0.746
   99    HA   THR  17           HA       THR  17  -5.061   0.728   0.639
  100    HB   THR  17           HB       THR  17  -5.916  -1.539  -0.084
  101    HG1  THR  17           HG1      THR  17  -8.139  -1.884   0.462
  102   HG21  THR  17          HG21      THR  17  -5.215  -1.028   2.240
  103   HG22  THR  17          HG22      THR  17  -6.555  -2.175   2.199
  104   HG23  THR  17          HG23      THR  17  -6.853  -0.487   2.600
  105    H    VAL  18           H        VAL  18  -7.400   2.066  -1.384
  106    HA   VAL  18           HA       VAL  18  -6.378   0.811  -3.805
  107    HB   VAL  18           HB       VAL  18  -8.550   2.917  -3.540
  108   HG11  VAL  18          HG11      VAL  18  -7.546   2.899  -5.760
  109   HG12  VAL  18          HG12      VAL  18  -9.188   2.258  -5.817
  110   HG13  VAL  18          HG13      VAL  18  -7.807   1.158  -5.876
  111   HG21  VAL  18          HG21      VAL  18  -8.791  -0.068  -3.859
  112   HG22  VAL  18          HG22      VAL  18 -10.131   1.079  -3.887
  113   HG23  VAL  18          HG23      VAL  18  -9.186   0.860  -2.413
  114    H    CYS  19           H        CYS  19  -4.555   1.607  -4.505
  115    HA   CYS  19           HA       CYS  19  -3.595   4.209  -3.923
  116    HB2  CYS  19           HB2      CYS  19  -2.594   2.122  -5.862
  117    HB3  CYS  19           HB3      CYS  19  -1.725   3.584  -5.420
  118    H    ALA  20           H        ALA  20  -2.783   5.682  -5.633
  119    HA   ALA  20           HA       ALA  20  -4.912   6.499  -7.328
  120    HB1  ALA  20           HB1      ALA  20  -3.447   8.368  -7.882
  121    HB2  ALA  20           HB2      ALA  20  -2.096   7.551  -7.098
  122    HB3  ALA  20           HB3      ALA  20  -3.477   8.090  -6.140
  123    H    SER  21           H        SER  21  -4.220   7.279  -9.657
  124    HA   SER  21           HA       SER  21  -3.767   4.972 -11.151
  125    HB2  SER  21           HB2      SER  21  -3.725   6.966 -12.934
  126    HB3  SER  21           HB3      SER  21  -5.218   6.389 -12.186
  127    HG   SER  21           HG       SER  21  -5.450   8.206 -11.300
  128    H    GLY  22           H        GLY  22  -1.935   4.200 -11.968
  129    HA2  GLY  22           HA2      GLY  22   0.191   4.319 -12.925
  130    HA3  GLY  22           HA3      GLY  22   0.381   5.938 -12.267
  131    H    THR  23           H        THR  23  -0.731   4.611  -9.675
  132    HA   THR  23           HA       THR  23   1.927   3.761  -8.779
  133    HB   THR  23           HB       THR  23   1.247   4.382  -6.505
  134    HG1  THR  23           HG1      THR  23  -1.282   4.548  -7.704
  135   HG21  THR  23          HG21      THR  23   2.149   6.154  -7.895
  136   HG22  THR  23          HG22      THR  23   0.916   6.789  -6.803
  137   HG23  THR  23          HG23      THR  23   0.535   6.519  -8.503
  138    H    THR  24           H        THR  24   2.082   1.940  -7.329
  139    HA   THR  24           HA       THR  24  -0.261   0.190  -7.359
  140    HB   THR  24           HB       THR  24   1.373  -1.719  -7.503
  141    HG1  THR  24           HG1      THR  24   3.149   0.399  -7.643
  142   HG21  THR  24          HG21      THR  24   1.616  -1.582  -9.946
  143   HG22  THR  24          HG22      THR  24   1.233   0.140  -9.878
  144   HG23  THR  24          HG23      THR  24   0.020  -1.053  -9.417
  145    H    CYS  25           H        CYS  25  -0.495  -1.110  -5.522
  146    HA   CYS  25           HA       CYS  25   0.737  -0.085  -3.148
  147    HB2  CYS  25           HB2      CYS  25  -1.636  -0.807  -3.140
  148    HB3  CYS  25           HB3      CYS  25  -1.142  -2.447  -3.539
  149    H    GLN  26           H        GLN  26   2.870  -0.550  -3.103
  150    HA   GLN  26           HA       GLN  26   3.707  -3.264  -3.694
  151    HB2  GLN  26           HB2      GLN  26   5.328  -0.758  -3.261
  152    HB3  GLN  26           HB3      GLN  26   6.016  -2.342  -3.595
  153    HG2  GLN  26           HG2      GLN  26   4.817  -2.387  -5.745
  154    HG3  GLN  26           HG3      GLN  26   4.209  -0.766  -5.415
  155   HE21  GLN  26          HE21      GLN  26   5.183   0.110  -7.198
  156   HE22  GLN  26          HE22      GLN  26   6.879   0.346  -7.323
  157    H    VAL  27           H        VAL  27   4.328  -4.638  -2.252
  158    HA   VAL  27           HA       VAL  27   3.985  -3.961   0.523
  159    HB   VAL  27           HB       VAL  27   4.727  -6.614  -0.765
  160   HG11  VAL  27          HG11      VAL  27   5.302  -6.546   1.597
  161   HG12  VAL  27          HG12      VAL  27   3.949  -7.638   1.313
  162   HG13  VAL  27          HG13      VAL  27   3.660  -6.038   1.994
  163   HG21  VAL  27          HG21      VAL  27   2.360  -7.223  -0.503
  164   HG22  VAL  27          HG22      VAL  27   2.570  -5.848  -1.586
  165   HG23  VAL  27          HG23      VAL  27   2.013  -5.592   0.068
  166    H    LEU  28           H        LEU  28   5.702  -2.695   1.062
  167    HA   LEU  28           HA       LEU  28   8.408  -3.346   0.364
  168    HB2  LEU  28           HB2      LEU  28   7.336  -1.416   2.421
  169    HB3  LEU  28           HB3      LEU  28   9.002  -1.490   1.882
  170    HG   LEU  28           HG       LEU  28   6.641  -0.726   0.151
  171   HD11  LEU  28          HD11      LEU  28   7.644   1.508   0.195
  172   HD12  LEU  28          HD12      LEU  28   8.822   0.935   1.383
  173   HD13  LEU  28          HD13      LEU  28   7.097   0.948   1.773
  174   HD21  LEU  28          HD21      LEU  28   9.589  -0.691  -0.402
  175   HD22  LEU  28          HD22      LEU  28   8.333  -0.014  -1.434
  176   HD23  LEU  28          HD23      LEU  28   8.400  -1.765  -1.167
  177    H    ASN  29           H        ASN  29   6.378  -3.597   3.186
  178    HA   ASN  29           HA       ASN  29   8.069  -5.720   4.249
  179    HB2  ASN  29           HB2      ASN  29   6.877  -3.431   5.884
  180    HB3  ASN  29           HB3      ASN  29   7.580  -4.889   6.557
  181   HD21  ASN  29          HD21      ASN  29   8.202  -1.788   5.188
  182   HD22  ASN  29          HD22      ASN  29   9.896  -1.805   5.449
  183    HA   PRO  30           HA       PRO  30   4.162  -7.800   4.563
  184    HB2  PRO  30           HB2      PRO  30   4.589  -8.094   7.508
  185    HB3  PRO  30           HB3      PRO  30   4.174  -9.328   6.312
  186    HG2  PRO  30           HG2      PRO  30   6.644  -9.220   7.203
  187    HG3  PRO  30           HG3      PRO  30   6.355  -9.403   5.464
  188    HD2  PRO  30           HD2      PRO  30   7.077  -6.937   6.998
  189    HD3  PRO  30           HD3      PRO  30   7.763  -7.516   5.467
  190    H    TYR  31           H        TYR  31   4.767  -5.556   7.225
  191    HA   TYR  31           HA       TYR  31   1.903  -5.012   7.444
  192    HB2  TYR  31           HB2      TYR  31   4.240  -4.019   9.073
  193    HB3  TYR  31           HB3      TYR  31   2.554  -3.643   9.412
  194    HD1  TYR  31           HD1      TYR  31   1.212  -5.184  10.638
  195    HD2  TYR  31           HD2      TYR  31   5.065  -6.359   9.298
  196    HE1  TYR  31           HE1      TYR  31   1.086  -7.191  12.041
  197    HE2  TYR  31           HE2      TYR  31   4.945  -8.370  10.700
  198    HH   TYR  31           HH       TYR  31   3.806  -9.146  12.662
  199    H    TYR  32           H        TYR  32   4.829  -3.563   6.174
  200    HA   TYR  32           HA       TYR  32   3.331  -1.087   5.803
  201    HB2  TYR  32           HB2      TYR  32   5.662  -0.916   6.860
  202    HB3  TYR  32           HB3      TYR  32   6.267  -1.412   5.293
  203    HD1  TYR  32           HD1      TYR  32   6.744   0.174   3.668
  204    HD2  TYR  32           HD2      TYR  32   4.043   1.157   6.782
  205    HE1  TYR  32           HE1      TYR  32   6.632   2.480   2.828
  206    HE2  TYR  32           HE2      TYR  32   3.923   3.464   5.964
  207    HH   TYR  32           HH       TYR  32   5.357   4.967   4.685
  208    H    SER  33           H        SER  33   2.348  -0.939   3.980
  209    HA   SER  33           HA       SER  33   3.752  -1.793   1.571
  210    HB2  SER  33           HB2      SER  33   0.768  -1.868   2.113
  211    HB3  SER  33           HB3      SER  33   1.561  -2.422   0.639
  212    HG   SER  33           HG       SER  33   2.767  -3.670   2.598
  213    H    GLN  34           H        GLN  34   3.679  -0.235  -0.100
  214    HA   GLN  34           HA       GLN  34   2.465   2.333   0.662
  215    HB2  GLN  34           HB2      GLN  34   4.828   2.326   1.323
  216    HB3  GLN  34           HB3      GLN  34   5.290   1.883  -0.310
  217    HG2  GLN  34           HG2      GLN  34   4.505   4.013  -1.133
  218    HG3  GLN  34           HG3      GLN  34   3.944   4.456   0.480
  219   HE21  GLN  34          HE21      GLN  34   5.492   4.972   2.060
  220   HE22  GLN  34          HE22      GLN  34   7.113   5.342   1.641
  221    H    CYS  35           H        CYS  35   1.677   3.538  -1.016
  222    HA   CYS  35           HA       CYS  35   1.321   2.261  -3.549
  223    HB2  CYS  35           HB2      CYS  35   0.616   5.060  -2.649
  224    HB3  CYS  35           HB3      CYS  35   0.158   4.367  -4.196
  225    H    LEU  36           H        LEU  36   3.002   2.070  -4.747
  226    HA   LEU  36           HA       LEU  36   4.561   4.432  -5.422
  227    HB2  LEU  36           HB2      LEU  36   5.503   1.600  -5.022
  228    HB3  LEU  36           HB3      LEU  36   6.457   2.837  -5.813
  229    HG   LEU  36           HG       LEU  36   5.492   3.001  -2.959
  230   HD11  LEU  36          HD11      LEU  36   7.808   2.560  -2.358
  231   HD12  LEU  36          HD12      LEU  36   8.213   2.330  -4.062
  232   HD13  LEU  36          HD13      LEU  36   7.122   1.202  -3.253
  233   HD21  LEU  36          HD21      LEU  36   5.824   5.184  -3.987
  234   HD22  LEU  36          HD22      LEU  36   7.421   4.695  -4.548
  235   HD23  LEU  36          HD23      LEU  36   7.105   4.854  -2.823
  236    H1   MAN 101           H1       MAN 101  -5.946   8.331  -6.847
  237    H2   MAN 101           H2       MAN 101  -6.709  10.947  -5.625
  238    H3   MAN 101           H3       MAN 101  -7.320  11.660  -7.760
  239    H4   MAN 101           H4       MAN 101  -5.420   9.525  -8.821
  240    H5   MAN 101           H5       MAN 101  -8.461   9.535  -9.206
  241    H61  MAN 101           H61      MAN 101  -8.154   7.108  -9.069
  242    H62  MAN 101           H62      MAN 101  -6.415   7.287  -8.780
  243    HO2  MAN 101           HO2      MAN 101  -4.468  11.226  -6.021
  244    HO3  MAN 101           HO3      MAN 101  -4.467  11.426  -7.923
  245    HO4  MAN 101           HO4      MAN 101  -5.689  11.406 -10.099
  246    HO6  MAN 101           HO6      MAN 101  -7.760   7.243 -11.093
  Start of MODEL   10
    1    H1   THR   1           H1       THR   1  -9.529   6.582  -2.730
    2    H2   THR   1           H2       THR   1  -8.536   7.899  -2.424
    3    H3   THR   1           H3       THR   1  -8.744   6.752  -1.234
    4    HA   THR   1           HA       THR   1  -7.578   5.147  -2.605
    5    HB   THR   1           HB       THR   1  -6.309   6.180  -4.592
    6   HG21  THR   1          HG21      THR   1  -8.306   5.821  -6.107
    7   HG22  THR   1          HG22      THR   1  -9.323   5.806  -4.668
    8   HG23  THR   1          HG23      THR   1  -8.108   4.557  -4.895
    9    H    GLN   2           H        GLN   2  -5.271   4.991  -2.359
   10    HA   GLN   2           HA       GLN   2  -4.293   6.989  -0.511
   11    HB2  GLN   2           HB2      GLN   2  -4.041   4.594   0.047
   12    HB3  GLN   2           HB3      GLN   2  -3.044   4.372  -1.382
   13    HG2  GLN   2           HG2      GLN   2  -1.702   4.532   0.658
   14    HG3  GLN   2           HG3      GLN   2  -1.351   5.843  -0.466
   15   HE21  GLN   2          HE21      GLN   2  -2.703   4.987   2.575
   16   HE22  GLN   2          HE22      GLN   2  -2.881   6.588   3.192
   17    H    SER   3           H        SER   3  -2.401   8.126  -0.792
   18    HA   SER   3           HA       SER   3  -1.945   8.909  -3.528
   19    HB2  SER   3           HB2      SER   3  -0.800  10.004  -0.967
   20    HB3  SER   3           HB3      SER   3  -0.890  10.817  -2.538
   21    HG   SER   3           HG       SER   3  -3.294  10.030  -2.018
   22    H    HIS   4           H        HIS   4   0.350   9.401  -4.134
   23    HA   HIS   4           HA       HIS   4   1.951   7.073  -4.111
   24    HB2  HIS   4           HB2      HIS   4   1.804   8.902  -5.884
   25    HB3  HIS   4           HB3      HIS   4   2.810   9.888  -4.838
   26    HD1  HIS   4           HD1      HIS   4   4.754  10.017  -6.471
   27    HD2  HIS   4           HD2      HIS   4   3.643   6.130  -5.595
   28    HE1  HIS   4           HE1      HIS   4   6.512   8.576  -7.518
   29    HE2  HIS   4           HE2      HIS   4   5.564   6.302  -7.346
   30    H    TYR   5           H        TYR   5   3.493   6.457  -2.726
   31    HA   TYR   5           HA       TYR   5   4.932   6.329  -1.040
   32    HB2  TYR   5           HB2      TYR   5   4.878   9.361  -0.954
   33    HB3  TYR   5           HB3      TYR   5   5.905   8.374   0.076
   34    HD1  TYR   5           HD1      TYR   5   7.707   6.991  -0.965
   35    HD2  TYR   5           HD2      TYR   5   5.483   9.831  -3.205
   36    HE1  TYR   5           HE1      TYR   5   9.436   6.962  -2.709
   37    HE2  TYR   5           HE2      TYR   5   7.202   9.805  -4.954
   38    HH   TYR   5           HH       TYR   5   9.641   7.430  -5.027
   39    H    GLY   6           H        GLY   6   1.896   6.805  -0.814
   40    HA2  GLY   6           HA2      GLY   6   1.803   7.149   2.069
   41    HA3  GLY   6           HA3      GLY   6   0.415   7.057   0.980
   42    H    GLN   7           H        GLN   7   0.741   5.507   3.373
   43    HA   GLN   7           HA       GLN   7   1.534   2.862   2.561
   44    HB2  GLN   7           HB2      GLN   7   1.745   3.714   4.931
   45    HB3  GLN   7           HB3      GLN   7  -0.010   3.706   5.019
   46    HG2  GLN   7           HG2      GLN   7  -0.049   1.301   4.723
   47    HG3  GLN   7           HG3      GLN   7   1.703   1.277   4.545
   48   HE21  GLN   7          HE21      GLN   7   0.086  -0.121   6.526
   49   HE22  GLN   7          HE22      GLN   7   0.639   0.452   8.044
   50    H    CYS   8           H        CYS   8   0.317   1.826   1.175
   51    HA   CYS   8           HA       CYS   8  -2.416   2.447   0.717
   52    HB2  CYS   8           HB2      CYS   8  -2.257   0.352  -0.770
   53    HB3  CYS   8           HB3      CYS   8  -1.282   1.755  -1.192
   54    H    GLY   9           H        GLY   9  -0.946  -0.624   1.739
   55    HA2  GLY   9           HA2      GLY   9  -2.657  -0.950   3.880
   56    HA3  GLY   9           HA3      GLY   9  -3.465  -1.616   2.467
   57    H    GLY  10           H        GLY  10  -0.925  -1.966   4.720
   58    HA2  GLY  10           HA2      GLY  10  -0.296  -4.577   3.589
   59    HA3  GLY  10           HA3      GLY  10   0.630  -3.752   4.848
   60    H    ILE  11           H        ILE  11   0.317  -5.857   5.991
   61    HA   ILE  11           HA       ILE  11  -2.211  -6.753   6.813
   62    HB   ILE  11           HB       ILE  11   0.440  -7.009   8.279
   63   HG12  ILE  11          HG12      ILE  11  -0.927  -8.943   6.390
   64   HG13  ILE  11          HG13      ILE  11   0.440  -7.919   5.963
   65   HG21  ILE  11          HG21      ILE  11  -0.582  -8.950   9.399
   66   HG22  ILE  11          HG22      ILE  11  -2.110  -8.609   8.590
   67   HG23  ILE  11          HG23      ILE  11  -1.459  -7.461   9.758
   68   HD11  ILE  11          HD11      ILE  11   1.826  -9.088   7.582
   69   HD12  ILE  11          HD12      ILE  11   1.107 -10.226   6.437
   70   HD13  ILE  11          HD13      ILE  11   0.447 -10.068   8.064
   71    H    GLY  12           H        GLY  12  -3.658  -5.815   8.093
   72    HA2  GLY  12           HA2      GLY  12  -4.349  -4.965  10.185
   73    HA3  GLY  12           HA3      GLY  12  -2.727  -4.347  10.438
   74    H    TYR  13           H        TYR  13  -3.353  -3.383   7.402
   75    HA   TYR  13           HA       TYR  13  -4.342  -0.804   8.400
   76    HB2  TYR  13           HB2      TYR  13  -2.143  -0.923   7.135
   77    HB3  TYR  13           HB3      TYR  13  -3.068  -1.414   5.723
   78    HD1  TYR  13           HD1      TYR  13  -2.015   1.343   7.820
   79    HD2  TYR  13           HD2      TYR  13  -4.647   0.238   4.675
   80    HE1  TYR  13           HE1      TYR  13  -2.356   3.717   7.279
   81    HE2  TYR  13           HE2      TYR  13  -4.991   2.606   4.126
   82    HH   TYR  13           HH       TYR  13  -3.056   5.068   5.290
   83    H    SER  14           H        SER  14  -6.357  -0.088   7.773
   84    HA   SER  14           HA       SER  14  -7.701  -1.687   5.722
   85    HB2  SER  14           HB2      SER  14  -9.738  -1.505   7.292
   86    HB3  SER  14           HB3      SER  14  -8.478  -2.678   7.673
   87    HG   SER  14           HG       SER  14  -9.226  -0.363   8.978
   88    H    GLY  15           H        GLY  15  -6.633   1.214   6.092
   89    HA2  GLY  15           HA2      GLY  15  -9.011   2.813   5.623
   90    HA3  GLY  15           HA3      GLY  15  -7.353   3.374   5.651
   91    HA   PRO  16           HA       PRO  16  -8.270   3.568   1.222
   92    HB2  PRO  16           HB2      PRO  16  -6.197   5.225   0.580
   93    HB3  PRO  16           HB3      PRO  16  -7.744   5.806   1.202
   94    HG2  PRO  16           HG2      PRO  16  -5.168   5.381   2.654
   95    HG3  PRO  16           HG3      PRO  16  -6.338   6.699   2.820
   96    HD2  PRO  16           HD2      PRO  16  -6.197   4.618   4.570
   97    HD3  PRO  16           HD3      PRO  16  -7.707   5.474   4.211
   98    H    THR  17           H        THR  17  -7.726   1.387   0.928
   99    HA   THR  17           HA       THR  17  -4.971   0.618   0.847
  100    HB   THR  17           HB       THR  17  -5.987  -1.667   0.327
  101    HG1  THR  17           HG1      THR  17  -8.316  -1.429   1.271
  102   HG21  THR  17          HG21      THR  17  -5.292  -0.939   2.604
  103   HG22  THR  17          HG22      THR  17  -6.675  -2.026   2.635
  104   HG23  THR  17          HG23      THR  17  -6.911  -0.292   2.858
  105    H    VAL  18           H        VAL  18  -7.273   1.661  -1.438
  106    HA   VAL  18           HA       VAL  18  -5.822   0.415  -3.639
  107    HB   VAL  18           HB       VAL  18  -8.262   2.227  -3.730
  108   HG11  VAL  18          HG11      VAL  18  -6.995   2.323  -5.807
  109   HG12  VAL  18          HG12      VAL  18  -8.510   1.449  -6.053
  110   HG13  VAL  18          HG13      VAL  18  -6.994   0.563  -5.906
  111   HG21  VAL  18          HG21      VAL  18  -8.068  -0.775  -3.989
  112   HG22  VAL  18          HG22      VAL  18  -9.533   0.179  -4.215
  113   HG23  VAL  18          HG23      VAL  18  -8.762   0.109  -2.630
  114    H    CYS  19           H        CYS  19  -4.234   1.428  -4.590
  115    HA   CYS  19           HA       CYS  19  -3.450   4.048  -3.804
  116    HB2  CYS  19           HB2      CYS  19  -2.362   2.198  -5.915
  117    HB3  CYS  19           HB3      CYS  19  -1.590   3.688  -5.380
  118    H    ALA  20           H        ALA  20  -3.061   5.830  -5.213
  119    HA   ALA  20           HA       ALA  20  -5.180   6.459  -6.946
  120    HB1  ALA  20           HB1      ALA  20  -2.468   7.774  -6.740
  121    HB2  ALA  20           HB2      ALA  20  -3.855   8.149  -5.724
  122    HB3  ALA  20           HB3      ALA  20  -3.917   8.483  -7.457
  123    H    SER  21           H        SER  21  -5.134   6.850  -9.202
  124    HA   SER  21           HA       SER  21  -4.391   4.799 -10.790
  125    HB2  SER  21           HB2      SER  21  -4.653   7.683 -11.618
  126    HB3  SER  21           HB3      SER  21  -4.991   6.245 -12.587
  127    HG   SER  21           HG       SER  21  -6.669   5.734 -11.219
  128    H    GLY  22           H        GLY  22  -2.476   4.076 -11.383
  129    HA2  GLY  22           HA2      GLY  22  -0.534   4.417 -12.752
  130    HA3  GLY  22           HA3      GLY  22  -0.363   6.005 -12.018
  131    H    THR  23           H        THR  23  -1.117   4.431  -9.408
  132    HA   THR  23           HA       THR  23   1.660   3.611  -8.954
  133    HB   THR  23           HB       THR  23   1.372   4.265  -6.565
  134    HG1  THR  23           HG1      THR  23  -1.205   5.019  -7.498
  135   HG21  THR  23          HG21      THR  23   1.392   6.696  -6.910
  136   HG22  THR  23          HG22      THR  23   0.743   6.465  -8.534
  137   HG23  THR  23          HG23      THR  23   2.351   5.860  -8.133
  138    H    THR  24           H        THR  24   2.088   1.760  -7.689
  139    HA   THR  24           HA       THR  24  -0.239   0.004  -7.420
  140    HB   THR  24           HB       THR  24   1.437  -1.882  -7.587
  141    HG1  THR  24           HG1      THR  24   3.215   0.238  -7.700
  142   HG21  THR  24          HG21      THR  24   1.257  -0.033  -9.974
  143   HG22  THR  24          HG22      THR  24   0.074  -1.259  -9.519
  144   HG23  THR  24          HG23      THR  24   1.688  -1.742 -10.039
  145    H    CYS  25           H        CYS  25  -0.342  -1.349  -5.530
  146    HA   CYS  25           HA       CYS  25   0.884  -0.108  -3.241
  147    HB2  CYS  25           HB2      CYS  25  -1.480  -0.913  -3.133
  148    HB3  CYS  25           HB3      CYS  25  -0.923  -2.556  -3.432
  149    H    GLN  26           H        GLN  26   3.010  -0.519  -3.085
  150    HA   GLN  26           HA       GLN  26   3.926  -3.193  -3.735
  151    HB2  GLN  26           HB2      GLN  26   5.541  -0.692  -3.224
  152    HB3  GLN  26           HB3      GLN  26   6.199  -2.251  -3.699
  153    HG2  GLN  26           HG2      GLN  26   4.759  -2.083  -5.769
  154    HG3  GLN  26           HG3      GLN  26   4.443  -0.420  -5.303
  155   HE21  GLN  26          HE21      GLN  26   5.431   0.412  -7.107
  156   HE22  GLN  26          HE22      GLN  26   7.136   0.366  -7.356
  157    H    VAL  27           H        VAL  27   4.534  -4.573  -2.335
  158    HA   VAL  27           HA       VAL  27   4.194  -3.971   0.461
  159    HB   VAL  27           HB       VAL  27   4.976  -6.581  -0.873
  160   HG11  VAL  27          HG11      VAL  27   4.182  -7.638   1.197
  161   HG12  VAL  27          HG12      VAL  27   3.885  -6.043   1.887
  162   HG13  VAL  27          HG13      VAL  27   5.529  -6.539   1.498
  163   HG21  VAL  27          HG21      VAL  27   2.825  -5.809  -1.702
  164   HG22  VAL  27          HG22      VAL  27   2.245  -5.602  -0.050
  165   HG23  VAL  27          HG23      VAL  27   2.613  -7.214  -0.659
  166    H    LEU  28           H        LEU  28   5.869  -2.802   1.172
  167    HA   LEU  28           HA       LEU  28   8.609  -3.499   0.515
  168    HB2  LEU  28           HB2      LEU  28   7.600  -1.528   2.578
  169    HB3  LEU  28           HB3      LEU  28   9.234  -1.644   1.968
  170    HG   LEU  28           HG       LEU  28   6.811  -0.688   0.436
  171   HD11  LEU  28          HD11      LEU  28   7.683   0.858   2.102
  172   HD12  LEU  28          HD12      LEU  28   7.927   1.452   0.458
  173   HD13  LEU  28          HD13      LEU  28   9.278   0.763   1.359
  174   HD21  LEU  28          HD21      LEU  28   9.683  -0.922  -0.438
  175   HD22  LEU  28          HD22      LEU  28   8.387  -0.122  -1.329
  176   HD23  LEU  28          HD23      LEU  28   8.320  -1.868  -1.056
  177    H    ASN  29           H        ASN  29   6.405  -3.557   3.233
  178    HA   ASN  29           HA       ASN  29   8.030  -5.566   4.590
  179    HB2  ASN  29           HB2      ASN  29   6.641  -3.194   5.927
  180    HB3  ASN  29           HB3      ASN  29   7.533  -4.479   6.724
  181   HD21  ASN  29          HD21      ASN  29   7.922  -1.526   6.727
  182   HD22  ASN  29          HD22      ASN  29   9.532  -1.281   6.205
  183    HA   PRO  30           HA       PRO  30   4.116  -7.670   4.836
  184    HB2  PRO  30           HB2      PRO  30   4.312  -7.819   7.805
  185    HB3  PRO  30           HB3      PRO  30   4.102  -9.123   6.629
  186    HG2  PRO  30           HG2      PRO  30   6.454  -8.759   7.801
  187    HG3  PRO  30           HG3      PRO  30   6.365  -9.164   6.078
  188    HD2  PRO  30           HD2      PRO  30   6.859  -6.518   7.383
  189    HD3  PRO  30           HD3      PRO  30   7.650  -7.223   5.962
  190    H    TYR  31           H        TYR  31   4.437  -5.260   7.463
  191    HA   TYR  31           HA       TYR  31   1.547  -4.828   7.313
  192    HB2  TYR  31           HB2      TYR  31   3.593  -3.706   9.265
  193    HB3  TYR  31           HB3      TYR  31   1.872  -3.392   9.309
  194    HD1  TYR  31           HD1      TYR  31   0.574  -4.658  10.734
  195    HD2  TYR  31           HD2      TYR  31   4.228  -6.318   9.342
  196    HE1  TYR  31           HE1      TYR  31   0.228  -6.607  12.173
  197    HE2  TYR  31           HE2      TYR  31   3.883  -8.286  10.778
  198    HH   TYR  31           HH       TYR  31   2.671  -8.813  12.842
  199    H    TYR  32           H        TYR  32   4.553  -3.352   6.393
  200    HA   TYR  32           HA       TYR  32   3.082  -0.914   5.733
  201    HB2  TYR  32           HB2      TYR  32   5.174  -0.618   7.083
  202    HB3  TYR  32           HB3      TYR  32   6.093  -1.262   5.729
  203    HD1  TYR  32           HD1      TYR  32   4.027   1.564   6.860
  204    HD2  TYR  32           HD2      TYR  32   6.605   0.113   3.813
  205    HE1  TYR  32           HE1      TYR  32   4.159   3.830   5.908
  206    HE2  TYR  32           HE2      TYR  32   6.744   2.380   2.847
  207    HH   TYR  32           HH       TYR  32   5.640   5.144   4.504
  208    H    SER  33           H        SER  33   2.303  -0.854   3.819
  209    HA   SER  33           HA       SER  33   3.925  -1.759   1.566
  210    HB2  SER  33           HB2      SER  33   0.898  -1.833   1.859
  211    HB3  SER  33           HB3      SER  33   1.798  -2.385   0.451
  212    HG   SER  33           HG       SER  33   2.806  -3.617   2.577
  213    H    GLN  34           H        GLN  34   3.970  -0.209  -0.135
  214    HA   GLN  34           HA       GLN  34   2.773   2.374   0.605
  215    HB2  GLN  34           HB2      GLN  34   5.172   2.262   1.192
  216    HB3  GLN  34           HB3      GLN  34   5.552   1.895  -0.481
  217    HG2  GLN  34           HG2      GLN  34   4.715   4.064  -1.161
  218    HG3  GLN  34           HG3      GLN  34   4.292   4.441   0.510
  219   HE21  GLN  34          HE21      GLN  34   5.986   4.844   1.993
  220   HE22  GLN  34          HE22      GLN  34   7.567   5.221   1.436
  221    H    CYS  35           H        CYS  35   1.916   3.550  -1.038
  222    HA   CYS  35           HA       CYS  35   1.518   2.274  -3.561
  223    HB2  CYS  35           HB2      CYS  35   0.805   5.060  -2.645
  224    HB3  CYS  35           HB3      CYS  35   0.366   4.382  -4.208
  225    H    LEU  36           H        LEU  36   3.068   2.086  -4.883
  226    HA   LEU  36           HA       LEU  36   4.595   4.415  -5.693
  227    HB2  LEU  36           HB2      LEU  36   5.640   1.627  -5.191
  228    HB3  LEU  36           HB3      LEU  36   6.531   2.887  -6.013
  229    HG   LEU  36           HG       LEU  36   5.613   3.062  -3.146
  230   HD11  LEU  36          HD11      LEU  36   7.948   2.673  -2.583
  231   HD12  LEU  36          HD12      LEU  36   8.329   2.409  -4.285
  232   HD13  LEU  36          HD13      LEU  36   7.260   1.288  -3.434
  233   HD21  LEU  36          HD21      LEU  36   7.483   4.757  -4.795
  234   HD22  LEU  36          HD22      LEU  36   7.195   4.941  -3.067
  235   HD23  LEU  36          HD23      LEU  36   5.887   5.230  -4.211
  236    H1   MAN 101           H1       MAN 101  -6.046   8.091  -6.032
  237    H2   MAN 101           H2       MAN 101  -6.681  10.319  -5.056
  238    H3   MAN 101           H3       MAN 101  -9.082  10.043  -4.898
  239    H4   MAN 101           H4       MAN 101  -8.988   9.987  -7.946
  240    H5   MAN 101           H5       MAN 101  -9.729   7.769  -5.991
  241    H61  MAN 101           H61      MAN 101 -10.996   7.695  -8.103
  242    H62  MAN 101           H62      MAN 101  -9.826   6.359  -7.989
  243    HO2  MAN 101           HO2      MAN 101  -6.759  11.340  -7.051
  244    HO3  MAN 101           HO3      MAN 101  -9.637  11.991  -6.055
  245    HO4  MAN 101           HO4      MAN 101 -11.158   9.719  -6.075
  246    HO6  MAN 101           HO6      MAN 101  -8.358   7.905  -9.168
  Start of MODEL   11
    1    H1   THR   1           H1       THR   1  -8.324   8.237  -2.312
    2    H2   THR   1           H2       THR   1  -8.579   7.487  -0.841
    3    H3   THR   1           H3       THR   1  -9.513   7.039  -2.195
    4    HA   THR   1           HA       THR   1  -7.798   5.423  -1.760
    5    HB   THR   1           HB       THR   1  -6.584   5.656  -3.973
    6   HG21  THR   1          HG21      THR   1  -8.677   5.298  -5.299
    7   HG22  THR   1          HG22      THR   1  -9.611   5.978  -4.001
    8   HG23  THR   1          HG23      THR   1  -8.755   4.446  -3.751
    9    H    GLN   2           H        GLN   2  -5.333   5.089  -2.052
   10    HA   GLN   2           HA       GLN   2  -4.150   7.009  -0.246
   11    HB2  GLN   2           HB2      GLN   2  -4.006   4.567   0.191
   12    HB3  GLN   2           HB3      GLN   2  -3.026   4.399  -1.256
   13    HG2  GLN   2           HG2      GLN   2  -1.667   4.439   0.777
   14    HG3  GLN   2           HG3      GLN   2  -1.299   5.795  -0.287
   15   HE21  GLN   2          HE21      GLN   2  -2.735   4.826   2.686
   16   HE22  GLN   2          HE22      GLN   2  -2.888   6.397   3.380
   17    H    SER   3           H        SER   3  -2.346   8.129  -0.629
   18    HA   SER   3           HA       SER   3  -1.910   8.883  -3.367
   19    HB2  SER   3           HB2      SER   3  -0.689   9.924  -0.804
   20    HB3  SER   3           HB3      SER   3  -0.616  10.699  -2.388
   21    HG   SER   3           HG       SER   3  -2.882  10.253  -0.760
   22    H    HIS   4           H        HIS   4   0.314   9.207  -4.115
   23    HA   HIS   4           HA       HIS   4   1.877   6.846  -4.065
   24    HB2  HIS   4           HB2      HIS   4   1.733   8.542  -5.936
   25    HB3  HIS   4           HB3      HIS   4   2.684   9.631  -4.949
   26    HD1  HIS   4           HD1      HIS   4   4.946   9.739  -5.938
   27    HD2  HIS   4           HD2      HIS   4   3.401   5.903  -6.082
   28    HE1  HIS   4           HE1      HIS   4   6.724   8.345  -7.016
   29    HE2  HIS   4           HE2      HIS   4   5.543   6.202  -7.476
   30    H    TYR   5           H        TYR   5   3.535   6.300  -2.771
   31    HA   TYR   5           HA       TYR   5   5.065   6.260  -1.145
   32    HB2  TYR   5           HB2      TYR   5   4.832   9.282  -1.001
   33    HB3  TYR   5           HB3      TYR   5   5.951   8.332  -0.047
   34    HD1  TYR   5           HD1      TYR   5   5.667  10.311  -2.871
   35    HD2  TYR   5           HD2      TYR   5   7.444   6.682  -1.568
   36    HE1  TYR   5           HE1      TYR   5   7.327  10.489  -4.666
   37    HE2  TYR   5           HE2      TYR   5   9.116   6.855  -3.365
   38    HH   TYR   5           HH       TYR   5   9.659   9.645  -5.082
   39    H    GLY   6           H        GLY   6   1.990   6.597  -0.772
   40    HA2  GLY   6           HA2      GLY   6   2.063   6.902   2.140
   41    HA3  GLY   6           HA3      GLY   6   0.617   6.947   1.134
   42    H    GLN   7           H        GLN   7   0.760   5.317   3.372
   43    HA   GLN   7           HA       GLN   7   1.482   2.640   2.578
   44    HB2  GLN   7           HB2      GLN   7   1.675   3.553   4.954
   45    HB3  GLN   7           HB3      GLN   7  -0.083   3.507   5.000
   46    HG2  GLN   7           HG2      GLN   7  -0.079   1.103   4.752
   47    HG3  GLN   7           HG3      GLN   7   1.676   1.098   4.591
   48   HE21  GLN   7          HE21      GLN   7   0.084  -0.282   6.607
   49   HE22  GLN   7          HE22      GLN   7   0.579   0.380   8.117
   50    H    CYS   8           H        CYS   8   0.224   1.649   1.189
   51    HA   CYS   8           HA       CYS   8  -2.458   2.397   0.656
   52    HB2  CYS   8           HB2      CYS   8  -2.314   0.271  -0.806
   53    HB3  CYS   8           HB3      CYS   8  -1.292   1.654  -1.203
   54    H    GLY   9           H        GLY   9  -1.196  -0.750   1.665
   55    HA2  GLY   9           HA2      GLY   9  -3.139  -1.100   3.665
   56    HA3  GLY   9           HA3      GLY   9  -3.723  -1.789   2.155
   57    H    GLY  10           H        GLY  10  -1.183  -1.895   4.514
   58    HA2  GLY  10           HA2      GLY  10  -0.458  -4.557   3.592
   59    HA3  GLY  10           HA3      GLY  10   0.397  -3.620   4.823
   60    H    ILE  11           H        ILE  11   0.130  -5.766   5.982
   61    HA   ILE  11           HA       ILE  11  -2.384  -6.681   6.848
   62    HB   ILE  11           HB       ILE  11   0.262  -6.898   8.329
   63   HG12  ILE  11          HG12      ILE  11  -0.962  -8.825   6.335
   64   HG13  ILE  11          HG13      ILE  11   0.357  -7.715   5.979
   65   HG21  ILE  11          HG21      ILE  11  -2.244  -8.586   8.489
   66   HG22  ILE  11          HG22      ILE  11  -1.661  -7.469   9.723
   67   HG23  ILE  11          HG23      ILE  11  -0.732  -8.920   9.338
   68   HD11  ILE  11          HD11      ILE  11   1.750  -8.856   7.623
   69   HD12  ILE  11          HD12      ILE  11   1.179  -9.952   6.368
   70   HD13  ILE  11          HD13      ILE  11   0.425  -9.968   7.967
   71    H    GLY  12           H        GLY  12  -3.800  -5.764   8.244
   72    HA2  GLY  12           HA2      GLY  12  -4.373  -4.764  10.302
   73    HA3  GLY  12           HA3      GLY  12  -2.760  -4.080  10.387
   74    H    TYR  13           H        TYR  13  -3.215  -3.244   7.438
   75    HA   TYR  13           HA       TYR  13  -4.525  -0.759   8.246
   76    HB2  TYR  13           HB2      TYR  13  -2.143  -0.688   7.363
   77    HB3  TYR  13           HB3      TYR  13  -2.780  -1.195   5.805
   78    HD1  TYR  13           HD1      TYR  13  -4.398   0.354   4.605
   79    HD2  TYR  13           HD2      TYR  13  -2.215   1.576   8.040
   80    HE1  TYR  13           HE1      TYR  13  -4.830   2.683   4.030
   81    HE2  TYR  13           HE2      TYR  13  -2.641   3.931   7.480
   82    HH   TYR  13           HH       TYR  13  -3.172   5.262   5.497
   83    H    SER  14           H        SER  14  -6.555  -0.552   7.625
   84    HA   SER  14           HA       SER  14  -7.430  -1.782   5.108
   85    HB2  SER  14           HB2      SER  14  -9.623  -2.126   6.297
   86    HB3  SER  14           HB3      SER  14  -8.295  -3.130   6.884
   87    HG   SER  14           HG       SER  14  -9.369  -0.776   8.046
   88    H    GLY  15           H        GLY  15  -6.544   0.982   5.925
   89    HA2  GLY  15           HA2      GLY  15  -8.855   2.686   5.730
   90    HA3  GLY  15           HA3      GLY  15  -7.175   3.176   5.602
   91    HA   PRO  16           HA       PRO  16  -8.540   3.514   1.283
   92    HB2  PRO  16           HB2      PRO  16  -6.614   5.277   0.506
   93    HB3  PRO  16           HB3      PRO  16  -8.104   5.789   1.306
   94    HG2  PRO  16           HG2      PRO  16  -5.372   5.400   2.453
   95    HG3  PRO  16           HG3      PRO  16  -6.558   6.676   2.787
   96    HD2  PRO  16           HD2      PRO  16  -6.164   4.527   4.438
   97    HD3  PRO  16           HD3      PRO  16  -7.712   5.382   4.295
   98    H    THR  17           H        THR  17  -7.910   1.351   0.936
   99    HA   THR  17           HA       THR  17  -5.166   0.609   0.842
  100    HB   THR  17           HB       THR  17  -6.187  -1.618   0.207
  101    HG1  THR  17           HG1      THR  17  -8.566  -1.528   0.812
  102   HG21  THR  17          HG21      THR  17  -7.041  -2.005   2.485
  103   HG22  THR  17          HG22      THR  17  -7.194  -0.263   2.720
  104   HG23  THR  17          HG23      THR  17  -5.602  -0.980   2.540
  105    H    VAL  18           H        VAL  18  -7.509   1.589  -1.463
  106    HA   VAL  18           HA       VAL  18  -5.922   0.573  -3.675
  107    HB   VAL  18           HB       VAL  18  -8.443   2.288  -3.705
  108   HG11  VAL  18          HG11      VAL  18  -8.597   1.722  -6.092
  109   HG12  VAL  18          HG12      VAL  18  -7.058   0.868  -5.991
  110   HG13  VAL  18          HG13      VAL  18  -7.115   2.614  -5.747
  111   HG21  VAL  18          HG21      VAL  18  -9.574   0.221  -4.404
  112   HG22  VAL  18          HG22      VAL  18  -8.838   0.064  -2.807
  113   HG23  VAL  18          HG23      VAL  18  -8.061  -0.663  -4.211
  114    H    CYS  19           H        CYS  19  -4.606   1.808  -4.943
  115    HA   CYS  19           HA       CYS  19  -3.701   4.246  -3.673
  116    HB2  CYS  19           HB2      CYS  19  -2.502   2.564  -5.879
  117    HB3  CYS  19           HB3      CYS  19  -1.750   3.971  -5.145
  118    H    ALA  20           H        ALA  20  -2.567   5.692  -5.536
  119    HA   ALA  20           HA       ALA  20  -4.676   6.979  -6.945
  120    HB1  ALA  20           HB1      ALA  20  -1.688   7.432  -6.976
  121    HB2  ALA  20           HB2      ALA  20  -2.840   8.224  -5.900
  122    HB3  ALA  20           HB3      ALA  20  -2.904   8.524  -7.640
  123    H    SER  21           H        SER  21  -4.515   7.446  -9.236
  124    HA   SER  21           HA       SER  21  -4.313   5.116 -10.808
  125    HB2  SER  21           HB2      SER  21  -5.805   7.028 -11.360
  126    HB3  SER  21           HB3      SER  21  -4.387   8.012 -11.729
  127    HG   SER  21           HG       SER  21  -5.439   7.061 -13.548
  128    H    GLY  22           H        GLY  22  -2.526   4.143 -11.424
  129    HA2  GLY  22           HA2      GLY  22  -0.570   4.121 -12.791
  130    HA3  GLY  22           HA3      GLY  22  -0.235   5.763 -12.266
  131    H    THR  23           H        THR  23  -1.181   4.346  -9.519
  132    HA   THR  23           HA       THR  23   1.576   3.542  -8.909
  133    HB   THR  23           HB       THR  23   1.218   4.312  -6.586
  134    HG1  THR  23           HG1      THR  23  -1.369   4.695  -7.551
  135   HG21  THR  23          HG21      THR  23   1.133   6.714  -7.000
  136   HG22  THR  23          HG22      THR  23   0.536   6.413  -8.634
  137   HG23  THR  23          HG23      THR  23   2.159   5.889  -8.173
  138    H    THR  24           H        THR  24   1.916   1.695  -7.703
  139    HA   THR  24           HA       THR  24  -0.484   0.074  -7.310
  140    HB   THR  24           HB       THR  24   1.064  -1.901  -7.537
  141    HG1  THR  24           HG1      THR  24   2.923   0.123  -7.846
  142   HG21  THR  24          HG21      THR  24   1.162  -1.800 -10.012
  143   HG22  THR  24          HG22      THR  24   0.768  -0.079  -9.923
  144   HG23  THR  24          HG23      THR  24  -0.393  -1.276  -9.363
  145    H    CYS  25           H        CYS  25  -0.500  -1.307  -5.492
  146    HA   CYS  25           HA       CYS  25   0.832  -0.154  -3.209
  147    HB2  CYS  25           HB2      CYS  25  -1.540  -0.837  -3.044
  148    HB3  CYS  25           HB3      CYS  25  -1.079  -2.487  -3.447
  149    H    GLN  26           H        GLN  26   2.948  -0.660  -3.119
  150    HA   GLN  26           HA       GLN  26   3.741  -3.403  -3.722
  151    HB2  GLN  26           HB2      GLN  26   5.445  -0.926  -3.423
  152    HB3  GLN  26           HB3      GLN  26   6.029  -2.526  -3.865
  153    HG2  GLN  26           HG2      GLN  26   4.566  -2.427  -5.883
  154    HG3  GLN  26           HG3      GLN  26   4.182  -0.766  -5.452
  155   HE21  GLN  26          HE21      GLN  26   5.046   0.047  -7.309
  156   HE22  GLN  26          HE22      GLN  26   6.733   0.085  -7.644
  157    H    VAL  27           H        VAL  27   4.708  -4.666  -2.299
  158    HA   VAL  27           HA       VAL  27   4.352  -4.030   0.495
  159    HB   VAL  27           HB       VAL  27   5.485  -6.539  -0.779
  160   HG11  VAL  27          HG11      VAL  27   4.880  -7.633   1.332
  161   HG12  VAL  27          HG12      VAL  27   4.369  -6.075   1.983
  162   HG13  VAL  27          HG13      VAL  27   6.061  -6.344   1.568
  163   HG21  VAL  27          HG21      VAL  27   2.646  -5.953   0.049
  164   HG22  VAL  27          HG22      VAL  27   3.246  -7.521  -0.490
  165   HG23  VAL  27          HG23      VAL  27   3.231  -6.151  -1.602
  166    H    LEU  28           H        LEU  28   5.904  -2.999   1.545
  167    HA   LEU  28           HA       LEU  28   8.685  -3.280   0.641
  168    HB2  LEU  28           HB2      LEU  28   7.393  -1.245   2.452
  169    HB3  LEU  28           HB3      LEU  28   9.099  -1.276   2.063
  170    HG   LEU  28           HG       LEU  28   6.867  -0.807   0.071
  171   HD11  LEU  28          HD11      LEU  28   7.717   1.479   0.015
  172   HD12  LEU  28          HD12      LEU  28   8.857   1.081   1.304
  173   HD13  LEU  28          HD13      LEU  28   7.114   1.026   1.608
  174   HD21  LEU  28          HD21      LEU  28   8.817  -1.864  -0.936
  175   HD22  LEU  28          HD22      LEU  28   9.846  -0.622  -0.201
  176   HD23  LEU  28          HD23      LEU  28   8.665  -0.171  -1.431
  177    H    ASN  29           H        ASN  29   6.568  -3.476   3.418
  178    HA   ASN  29           HA       ASN  29   8.452  -5.215   4.800
  179    HB2  ASN  29           HB2      ASN  29   6.876  -2.932   6.080
  180    HB3  ASN  29           HB3      ASN  29   7.850  -4.101   6.939
  181   HD21  ASN  29          HD21      ASN  29   8.021  -1.172   6.903
  182   HD22  ASN  29          HD22      ASN  29   9.625  -0.818   6.378
  183    HA   PRO  30           HA       PRO  30   4.856  -7.793   5.382
  184    HB2  PRO  30           HB2      PRO  30   4.957  -7.358   8.331
  185    HB3  PRO  30           HB3      PRO  30   4.861  -8.870   7.424
  186    HG2  PRO  30           HG2      PRO  30   7.164  -8.134   8.493
  187    HG3  PRO  30           HG3      PRO  30   7.123  -8.832   6.865
  188    HD2  PRO  30           HD2      PRO  30   7.448  -5.989   7.705
  189    HD3  PRO  30           HD3      PRO  30   8.240  -6.862   6.373
  190    H    TYR  31           H        TYR  31   4.677  -4.974   7.605
  191    HA   TYR  31           HA       TYR  31   1.767  -4.953   7.187
  192    HB2  TYR  31           HB2      TYR  31   3.381  -3.357   9.194
  193    HB3  TYR  31           HB3      TYR  31   1.636  -3.470   9.105
  194    HD1  TYR  31           HD1      TYR  31   0.476  -5.433   9.924
  195    HD2  TYR  31           HD2      TYR  31   4.703  -5.190  10.094
  196    HE1  TYR  31           HE1      TYR  31   0.513  -7.323  11.480
  197    HE2  TYR  31           HE2      TYR  31   4.758  -7.076  11.657
  198    HH   TYR  31           HH       TYR  31   2.022  -9.028  12.244
  199    H    TYR  32           H        TYR  32   4.667  -3.226   6.472
  200    HA   TYR  32           HA       TYR  32   3.121  -0.893   5.688
  201    HB2  TYR  32           HB2      TYR  32   5.188  -0.554   7.036
  202    HB3  TYR  32           HB3      TYR  32   6.129  -1.210   5.702
  203    HD1  TYR  32           HD1      TYR  32   3.899   1.582   6.663
  204    HD2  TYR  32           HD2      TYR  32   6.831   0.184   3.909
  205    HE1  TYR  32           HE1      TYR  32   4.088   3.840   5.718
  206    HE2  TYR  32           HE2      TYR  32   7.020   2.437   2.959
  207    HH   TYR  32           HH       TYR  32   5.758   5.160   4.495
  208    H    SER  33           H        SER  33   2.357  -0.859   3.800
  209    HA   SER  33           HA       SER  33   3.940  -1.799   1.543
  210    HB2  SER  33           HB2      SER  33   0.927  -1.884   1.910
  211    HB3  SER  33           HB3      SER  33   1.804  -2.475   0.500
  212    HG   SER  33           HG       SER  33   2.851  -3.596   2.677
  213    H    GLN  34           H        GLN  34   3.847  -0.310  -0.225
  214    HA   GLN  34           HA       GLN  34   2.694   2.286   0.520
  215    HB2  GLN  34           HB2      GLN  34   5.084   2.173   1.093
  216    HB3  GLN  34           HB3      GLN  34   5.453   1.774  -0.574
  217    HG2  GLN  34           HG2      GLN  34   4.644   3.918  -1.290
  218    HG3  GLN  34           HG3      GLN  34   4.214   4.343   0.371
  219   HE21  GLN  34          HE21      GLN  34   5.926   4.715   1.877
  220   HE22  GLN  34          HE22      GLN  34   7.501   5.071   1.313
  221    H    CYS  35           H        CYS  35   1.903   3.480  -1.137
  222    HA   CYS  35           HA       CYS  35   1.426   2.183  -3.640
  223    HB2  CYS  35           HB2      CYS  35   0.818   4.999  -2.751
  224    HB3  CYS  35           HB3      CYS  35   0.268   4.285  -4.261
  225    H    LEU  36           H        LEU  36   2.951   1.985  -5.014
  226    HA   LEU  36           HA       LEU  36   4.551   4.283  -5.796
  227    HB2  LEU  36           HB2      LEU  36   5.490   1.441  -5.381
  228    HB3  LEU  36           HB3      LEU  36   6.431   2.690  -6.175
  229    HG   LEU  36           HG       LEU  36   5.508   2.862  -3.307
  230   HD11  LEU  36          HD11      LEU  36   8.211   2.072  -4.400
  231   HD12  LEU  36          HD12      LEU  36   7.059   0.995  -3.602
  232   HD13  LEU  36          HD13      LEU  36   7.791   2.321  -2.702
  233   HD21  LEU  36          HD21      LEU  36   5.931   5.017  -4.380
  234   HD22  LEU  36          HD22      LEU  36   7.525   4.456  -4.889
  235   HD23  LEU  36          HD23      LEU  36   7.164   4.654  -3.177
  236    H1   MAN 101           H1       MAN 101  -6.779   6.673  -6.105
  237    H2   MAN 101           H2       MAN 101  -7.513   9.628  -6.088
  238    H3   MAN 101           H3       MAN 101  -7.567   9.531  -8.267
  239    H4   MAN 101           H4       MAN 101  -6.855   6.549  -8.115
  240    H5   MAN 101           H5       MAN 101  -9.659   7.880  -7.948
  241    H61  MAN 101           H61      MAN 101  -8.700   5.015  -7.727
  242    H62  MAN 101           H62      MAN 101  -9.829   5.660  -8.939
  243    HO2  MAN 101           HO2      MAN 101  -5.584   9.127  -5.036
  244    HO3  MAN 101           HO3      MAN 101  -5.250   9.556  -8.018
  245    HO4  MAN 101           HO4      MAN 101  -6.812   7.555 -10.108
  246    HO6  MAN 101           HO6      MAN 101 -10.355   6.029  -6.192
  Start of MODEL   12
    1    H1   THR   1           H1       THR   1  -8.376   8.108  -1.804
    2    H2   THR   1           H2       THR   1  -8.642   6.660  -0.996
    3    H3   THR   1           H3       THR   1  -9.378   6.934  -2.493
    4    HA   THR   1           HA       THR   1  -7.489   5.477  -2.726
    5    HB   THR   1           HB       THR   1  -6.111   6.861  -4.285
    6   HG21  THR   1          HG21      THR   1  -8.225   5.765  -5.014
    7   HG22  THR   1          HG22      THR   1  -7.958   7.270  -5.884
    8   HG23  THR   1          HG23      THR   1  -9.119   7.219  -4.562
    9    H    GLN   2           H        GLN   2  -5.188   5.264  -2.552
   10    HA   GLN   2           HA       GLN   2  -4.132   6.770  -0.306
   11    HB2  GLN   2           HB2      GLN   2  -4.047   4.251  -0.298
   12    HB3  GLN   2           HB3      GLN   2  -2.951   4.347  -1.672
   13    HG2  GLN   2           HG2      GLN   2  -1.632   4.070   0.291
   14    HG3  GLN   2           HG3      GLN   2  -1.425   5.719  -0.289
   15   HE21  GLN   2          HE21      GLN   2  -4.203   4.494   1.499
   16   HE22  GLN   2          HE22      GLN   2  -3.938   5.442   2.909
   17    H    SER   3           H        SER   3  -2.498   8.189  -0.625
   18    HA   SER   3           HA       SER   3  -1.926   9.075  -3.249
   19    HB2  SER   3           HB2      SER   3  -0.690   9.823  -0.603
   20    HB3  SER   3           HB3      SER   3  -0.627  10.776  -2.083
   21    HG   SER   3           HG       SER   3  -2.799  11.132  -1.956
   22    H    HIS   4           H        HIS   4   0.386   9.504  -3.903
   23    HA   HIS   4           HA       HIS   4   1.790   7.043  -4.133
   24    HB2  HIS   4           HB2      HIS   4   1.731   8.863  -5.881
   25    HB3  HIS   4           HB3      HIS   4   2.731   9.841  -4.823
   26    HD1  HIS   4           HD1      HIS   4   4.781   9.951  -6.301
   27    HD2  HIS   4           HD2      HIS   4   3.535   6.063  -5.619
   28    HE1  HIS   4           HE1      HIS   4   6.542   8.482  -7.324
   29    HE2  HIS   4           HE2      HIS   4   5.450   6.248  -7.302
   30    H    TYR   5           H        TYR   5   3.406   6.279  -2.945
   31    HA   TYR   5           HA       TYR   5   4.936   5.995  -1.389
   32    HB2  TYR   5           HB2      TYR   5   5.007   9.016  -1.063
   33    HB3  TYR   5           HB3      TYR   5   6.064   7.913  -0.199
   34    HD1  TYR   5           HD1      TYR   5   7.279   6.160  -1.885
   35    HD2  TYR   5           HD2      TYR   5   5.926  10.064  -2.897
   36    HE1  TYR   5           HE1      TYR   5   8.873   6.221  -3.747
   37    HE2  TYR   5           HE2      TYR   5   7.522  10.132  -4.766
   38    HH   TYR   5           HH       TYR   5   9.658   9.042  -5.410
   39    H    GLY   6           H        GLY   6   1.950   6.520  -0.932
   40    HA2  GLY   6           HA2      GLY   6   2.018   6.763   1.967
   41    HA3  GLY   6           HA3      GLY   6   0.577   6.764   0.957
   42    H    GLN   7           H        GLN   7   0.712   5.228   3.208
   43    HA   GLN   7           HA       GLN   7   1.443   2.509   2.537
   44    HB2  GLN   7           HB2      GLN   7   1.798   3.338   4.838
   45    HB3  GLN   7           HB3      GLN   7   0.077   3.652   4.980
   46    HG2  GLN   7           HG2      GLN   7  -0.385   1.252   4.811
   47    HG3  GLN   7           HG3      GLN   7   1.344   0.931   4.679
   48   HE21  GLN   7          HE21      GLN   7   1.302  -0.367   6.647
   49   HE22  GLN   7          HE22      GLN   7   1.144   0.424   8.151
   50    H    CYS   8           H        CYS   8   0.144   1.616   1.077
   51    HA   CYS   8           HA       CYS   8  -2.593   2.255   0.755
   52    HB2  CYS   8           HB2      CYS   8  -2.559   0.226  -0.804
   53    HB3  CYS   8           HB3      CYS   8  -1.510   1.575  -1.205
   54    H    GLY   9           H        GLY   9  -1.086  -0.760   1.893
   55    HA2  GLY   9           HA2      GLY   9  -2.978  -1.091   3.934
   56    HA3  GLY   9           HA3      GLY   9  -3.520  -1.968   2.517
   57    H    GLY  10           H        GLY  10  -1.078  -1.722   4.945
   58    HA2  GLY  10           HA2      GLY  10  -0.033  -4.339   4.151
   59    HA3  GLY  10           HA3      GLY  10   0.719  -3.246   5.314
   60    H    ILE  11           H        ILE  11   0.645  -5.406   6.591
   61    HA   ILE  11           HA       ILE  11  -1.851  -6.295   7.532
   62    HB   ILE  11           HB       ILE  11   0.881  -6.554   8.841
   63   HG12  ILE  11          HG12      ILE  11  -0.725  -8.503   7.169
   64   HG13  ILE  11          HG13      ILE  11   0.663  -7.585   6.605
   65   HG21  ILE  11          HG21      ILE  11  -1.690  -8.028   9.461
   66   HG22  ILE  11          HG22      ILE  11  -0.905  -6.843  10.503
   67   HG23  ILE  11          HG23      ILE  11  -0.111  -8.383  10.162
   68   HD11  ILE  11          HD11      ILE  11   0.685  -9.670   8.772
   69   HD12  ILE  11          HD12      ILE  11   2.085  -8.762   8.196
   70   HD13  ILE  11          HD13      ILE  11   1.243  -9.874   7.113
   71    H    GLY  12           H        GLY  12  -3.250  -5.340   8.749
   72    HA2  GLY  12           HA2      GLY  12  -3.896  -4.324  10.801
   73    HA3  GLY  12           HA3      GLY  12  -2.361  -3.471  10.825
   74    H    TYR  13           H        TYR  13  -2.951  -3.065   7.786
   75    HA   TYR  13           HA       TYR  13  -4.560  -0.658   8.238
   76    HB2  TYR  13           HB2      TYR  13  -2.101  -0.477   7.486
   77    HB3  TYR  13           HB3      TYR  13  -2.649  -1.114   5.946
   78    HD1  TYR  13           HD1      TYR  13  -2.099   1.781   7.863
   79    HD2  TYR  13           HD2      TYR  13  -4.608   0.264   4.790
   80    HE1  TYR  13           HE1      TYR  13  -2.660   4.068   7.211
   81    HE2  TYR  13           HE2      TYR  13  -5.181   2.556   4.119
   82    HH   TYR  13           HH       TYR  13  -5.237   4.841   5.323
   83    H    SER  14           H        SER  14  -6.534  -0.744   7.344
   84    HA   SER  14           HA       SER  14  -6.878  -2.200   4.852
   85    HB2  SER  14           HB2      SER  14  -9.133  -3.006   5.903
   86    HB3  SER  14           HB3      SER  14  -7.637  -3.863   6.281
   87    HG   SER  14           HG       SER  14  -8.307  -3.532   8.204
   88    H    GLY  15           H        GLY  15  -6.899   0.687   5.941
   89    HA2  GLY  15           HA2      GLY  15  -9.526   1.670   5.317
   90    HA3  GLY  15           HA3      GLY  15  -8.091   2.629   5.602
   91    HA   PRO  16           HA       PRO  16  -8.683   3.466   1.178
   92    HB2  PRO  16           HB2      PRO  16  -6.566   5.257   1.024
   93    HB3  PRO  16           HB3      PRO  16  -8.218   5.694   1.459
   94    HG2  PRO  16           HG2      PRO  16  -5.864   5.215   3.211
   95    HG3  PRO  16           HG3      PRO  16  -7.178   6.390   3.388
   96    HD2  PRO  16           HD2      PRO  16  -7.044   4.103   4.842
   97    HD3  PRO  16           HD3      PRO  16  -8.581   4.854   4.377
   98    H    THR  17           H        THR  17  -8.061   1.514   0.382
   99    HA   THR  17           HA       THR  17  -5.265   0.748   0.413
  100    HB   THR  17           HB       THR  17  -6.509  -1.437  -0.443
  101    HG1  THR  17           HG1      THR  17  -8.465  -0.228   1.187
  102   HG21  THR  17          HG21      THR  17  -6.621  -0.441   2.416
  103   HG22  THR  17          HG22      THR  17  -5.245  -1.243   1.662
  104   HG23  THR  17          HG23      THR  17  -6.750  -2.128   1.914
  105    H    VAL  18           H        VAL  18  -7.508   2.111  -1.715
  106    HA   VAL  18           HA       VAL  18  -6.395   0.869  -4.091
  107    HB   VAL  18           HB       VAL  18  -8.479   3.072  -3.889
  108   HG11  VAL  18          HG11      VAL  18  -7.344   3.089  -6.040
  109   HG12  VAL  18          HG12      VAL  18  -9.004   2.528  -6.225
  110   HG13  VAL  18          HG13      VAL  18  -7.672   1.369  -6.243
  111   HG21  VAL  18          HG21      VAL  18  -9.274   1.002  -2.877
  112   HG22  VAL  18          HG22      VAL  18  -8.833   0.109  -4.329
  113   HG23  VAL  18          HG23      VAL  18 -10.122   1.311  -4.393
  114    H    CYS  19           H        CYS  19  -4.550   1.613  -4.813
  115    HA   CYS  19           HA       CYS  19  -3.460   4.098  -4.022
  116    HB2  CYS  19           HB2      CYS  19  -2.573   2.085  -6.072
  117    HB3  CYS  19           HB3      CYS  19  -1.621   3.474  -5.561
  118    H    ALA  20           H        ALA  20  -3.071   5.905  -5.186
  119    HA   ALA  20           HA       ALA  20  -4.975   6.840  -6.973
  120    HB1  ALA  20           HB1      ALA  20  -3.590   8.304  -5.598
  121    HB2  ALA  20           HB2      ALA  20  -3.422   8.748  -7.302
  122    HB3  ALA  20           HB3      ALA  20  -2.162   7.819  -6.504
  123    H    SER  21           H        SER  21  -4.789   7.430  -9.226
  124    HA   SER  21           HA       SER  21  -4.151   5.550 -11.019
  125    HB2  SER  21           HB2      SER  21  -4.005   8.516 -11.457
  126    HB3  SER  21           HB3      SER  21  -4.471   7.262 -12.610
  127    HG   SER  21           HG       SER  21  -6.370   7.270 -11.842
  128    H    GLY  22           H        GLY  22  -2.236   4.648 -11.500
  129    HA2  GLY  22           HA2      GLY  22  -0.167   4.907 -12.703
  130    HA3  GLY  22           HA3      GLY  22   0.075   6.424 -11.857
  131    H    THR  23           H        THR  23  -0.928   4.916  -9.376
  132    HA   THR  23           HA       THR  23   1.760   3.931  -8.748
  133    HB   THR  23           HB       THR  23   1.312   4.449  -6.400
  134    HG1  THR  23           HG1      THR  23  -1.289   5.042  -7.389
  135   HG21  THR  23          HG21      THR  23   1.013   6.873  -6.546
  136   HG22  THR  23          HG22      THR  23   0.461   6.696  -8.215
  137   HG23  THR  23          HG23      THR  23   2.116   6.266  -7.778
  138    H    THR  24           H        THR  24   2.073   1.998  -7.687
  139    HA   THR  24           HA       THR  24  -0.239   0.203  -7.662
  140    HB   THR  24           HB       THR  24   1.485  -1.635  -8.011
  141    HG1  THR  24           HG1      THR  24   3.162   0.631  -8.190
  142   HG21  THR  24          HG21      THR  24   1.171   0.425 -10.200
  143   HG22  THR  24          HG22      THR  24   0.022  -0.856  -9.820
  144   HG23  THR  24          HG23      THR  24   1.619  -1.260 -10.442
  145    H    CYS  25           H        CYS  25  -0.621  -0.962  -5.835
  146    HA   CYS  25           HA       CYS  25   0.740  -0.209  -3.428
  147    HB2  CYS  25           HB2      CYS  25  -1.678  -0.660  -3.401
  148    HB3  CYS  25           HB3      CYS  25  -1.393  -2.320  -3.901
  149    H    GLN  26           H        GLN  26   2.674  -0.974  -2.973
  150    HA   GLN  26           HA       GLN  26   3.241  -3.786  -3.596
  151    HB2  GLN  26           HB2      GLN  26   5.180  -1.477  -3.428
  152    HB3  GLN  26           HB3      GLN  26   5.584  -3.153  -3.771
  153    HG2  GLN  26           HG2      GLN  26   4.233  -3.040  -5.807
  154    HG3  GLN  26           HG3      GLN  26   3.902  -1.342  -5.477
  155   HE21  GLN  26          HE21      GLN  26   4.853  -0.659  -7.335
  156   HE22  GLN  26          HE22      GLN  26   6.556  -0.689  -7.590
  157    H    VAL  27           H        VAL  27   4.075  -5.015  -2.023
  158    HA   VAL  27           HA       VAL  27   3.871  -4.025   0.695
  159    HB   VAL  27           HB       VAL  27   4.573  -6.807  -0.318
  160   HG11  VAL  27          HG11      VAL  27   3.727  -5.910   2.436
  161   HG12  VAL  27          HG12      VAL  27   5.344  -6.429   1.961
  162   HG13  VAL  27          HG13      VAL  27   4.006  -7.579   1.932
  163   HG21  VAL  27          HG21      VAL  27   2.340  -6.168  -1.025
  164   HG22  VAL  27          HG22      VAL  27   1.918  -5.725   0.628
  165   HG23  VAL  27          HG23      VAL  27   2.254  -7.407   0.226
  166    H    LEU  28           H        LEU  28   5.588  -2.951   1.430
  167    HA   LEU  28           HA       LEU  28   8.268  -3.553   0.439
  168    HB2  LEU  28           HB2      LEU  28   7.328  -1.440   2.375
  169    HB3  LEU  28           HB3      LEU  28   8.949  -1.579   1.734
  170    HG   LEU  28           HG       LEU  28   6.472  -0.919   0.133
  171   HD11  LEU  28          HD11      LEU  28   7.136   0.884   1.556
  172   HD12  LEU  28          HD12      LEU  28   7.577   1.267  -0.112
  173   HD13  LEU  28          HD13      LEU  28   8.811   0.741   1.034
  174   HD21  LEU  28          HD21      LEU  28   8.135  -2.169  -1.168
  175   HD22  LEU  28          HD22      LEU  28   9.351  -0.983  -0.650
  176   HD23  LEU  28          HD23      LEU  28   8.007  -0.475  -1.675
  177    H    ASN  29           H        ASN  29   6.440  -3.455   3.407
  178    HA   ASN  29           HA       ASN  29   8.288  -5.349   4.683
  179    HB2  ASN  29           HB2      ASN  29   6.856  -3.049   6.117
  180    HB3  ASN  29           HB3      ASN  29   7.940  -4.229   6.823
  181   HD21  ASN  29          HD21      ASN  29   8.037  -1.294   6.865
  182   HD22  ASN  29          HD22      ASN  29   9.561  -0.852   6.202
  183    HA   PRO  30           HA       PRO  30   4.503  -7.627   5.290
  184    HB2  PRO  30           HB2      PRO  30   4.838  -7.528   8.253
  185    HB3  PRO  30           HB3      PRO  30   4.601  -8.928   7.202
  186    HG2  PRO  30           HG2      PRO  30   6.997  -8.435   8.207
  187    HG3  PRO  30           HG3      PRO  30   6.832  -8.963   6.522
  188    HD2  PRO  30           HD2      PRO  30   7.339  -6.224   7.606
  189    HD3  PRO  30           HD3      PRO  30   8.056  -7.008   6.183
  190    H    TYR  31           H        TYR  31   4.896  -5.009   7.625
  191    HA   TYR  31           HA       TYR  31   2.000  -4.649   7.744
  192    HB2  TYR  31           HB2      TYR  31   4.180  -3.202   9.261
  193    HB3  TYR  31           HB3      TYR  31   2.452  -3.099   9.568
  194    HD1  TYR  31           HD1      TYR  31   1.287  -4.896  10.721
  195    HD2  TYR  31           HD2      TYR  31   5.444  -5.188   9.901
  196    HE1  TYR  31           HE1      TYR  31   1.463  -6.790  12.282
  197    HE2  TYR  31           HE2      TYR  31   5.634  -7.072  11.447
  198    HH   TYR  31           HH       TYR  31   2.966  -8.725  12.589
  199    H    TYR  32           H        TYR  32   4.814  -3.273   6.281
  200    HA   TYR  32           HA       TYR  32   3.281  -0.860   5.686
  201    HB2  TYR  32           HB2      TYR  32   5.434  -0.496   6.806
  202    HB3  TYR  32           HB3      TYR  32   6.259  -1.267   5.456
  203    HD1  TYR  32           HD1      TYR  32   3.747   1.432   5.986
  204    HD2  TYR  32           HD2      TYR  32   7.265   0.171   3.937
  205    HE1  TYR  32           HE1      TYR  32   3.905   3.623   4.905
  206    HE2  TYR  32           HE2      TYR  32   7.419   2.354   2.862
  207    HH   TYR  32           HH       TYR  32   6.244   4.245   2.408
  208    H    SER  33           H        SER  33   2.277  -0.925   3.859
  209    HA   SER  33           HA       SER  33   3.657  -1.970   1.508
  210    HB2  SER  33           HB2      SER  33   0.672  -1.879   2.078
  211    HB3  SER  33           HB3      SER  33   1.429  -2.582   0.649
  212    HG   SER  33           HG       SER  33   1.287  -4.322   1.859
  213    H    GLN  34           H        GLN  34   3.662  -0.532  -0.222
  214    HA   GLN  34           HA       GLN  34   2.559   2.120   0.368
  215    HB2  GLN  34           HB2      GLN  34   4.798   2.294   1.044
  216    HB3  GLN  34           HB3      GLN  34   5.372   1.375  -0.328
  217    HG2  GLN  34           HG2      GLN  34   4.971   3.205  -1.805
  218    HG3  GLN  34           HG3      GLN  34   4.175   4.131  -0.519
  219   HE21  GLN  34          HE21      GLN  34   5.448   5.155   0.996
  220   HE22  GLN  34          HE22      GLN  34   7.163   5.249   0.855
  221    H    CYS  35           H        CYS  35   1.813   3.268  -1.284
  222    HA   CYS  35           HA       CYS  35   1.438   1.981  -3.823
  223    HB2  CYS  35           HB2      CYS  35   0.735   4.781  -2.928
  224    HB3  CYS  35           HB3      CYS  35   0.236   4.045  -4.444
  225    H    LEU  36           H        LEU  36   3.148   1.809  -4.992
  226    HA   LEU  36           HA       LEU  36   4.839   4.136  -5.482
  227    HB2  LEU  36           HB2      LEU  36   5.358   1.179  -5.775
  228    HB3  LEU  36           HB3      LEU  36   6.430   2.405  -6.421
  229    HG   LEU  36           HG       LEU  36   5.748   2.130  -3.491
  230   HD11  LEU  36          HD11      LEU  36   6.999   0.187  -4.289
  231   HD12  LEU  36          HD12      LEU  36   7.958   1.213  -3.223
  232   HD13  LEU  36          HD13      LEU  36   8.230   1.263  -4.970
  233   HD21  LEU  36          HD21      LEU  36   7.671   3.622  -3.204
  234   HD22  LEU  36          HD22      LEU  36   6.384   4.384  -4.130
  235   HD23  LEU  36          HD23      LEU  36   7.817   3.764  -4.956
  236    H1   MAN 101           H1       MAN 101  -5.548   8.985  -5.167
  237    H2   MAN 101           H2       MAN 101  -6.931  11.174  -3.606
  238    H3   MAN 101           H3       MAN 101  -7.253  12.271  -5.647
  239    H4   MAN 101           H4       MAN 101  -4.880  10.673  -6.626
  240    H5   MAN 101           H5       MAN 101  -7.823  10.554  -7.570
  241    H61  MAN 101           H61      MAN 101  -5.394   8.739  -7.713
  242    H62  MAN 101           H62      MAN 101  -6.309   9.427  -9.065
  243    HO2  MAN 101           HO2      MAN 101  -4.724  11.834  -3.542
  244    HO3  MAN 101           HO3      MAN 101  -5.660  13.422  -4.539
  245    HO4  MAN 101           HO4      MAN 101  -5.083  12.750  -7.480
  246    HO6  MAN 101           HO6      MAN 101  -8.003   8.095  -7.448
  Start of MODEL   13
    1    H1   THR   1           H1       THR   1  -8.380   8.603  -2.924
    2    H2   THR   1           H2       THR   1  -8.820   7.549  -1.693
    3    H3   THR   1           H3       THR   1  -9.489   7.356  -3.212
    4    HA   THR   1           HA       THR   1  -7.775   5.730  -2.778
    5    HB   THR   1           HB       THR   1  -6.222   6.310  -4.698
    6   HG21  THR   1          HG21      THR   1  -8.042   6.050  -6.370
    7   HG22  THR   1          HG22      THR   1  -9.215   6.579  -5.167
    8   HG23  THR   1          HG23      THR   1  -8.355   5.059  -4.947
    9    H    GLN   2           H        GLN   2  -5.541   5.295  -2.380
   10    HA   GLN   2           HA       GLN   2  -4.415   7.163  -0.516
   11    HB2  GLN   2           HB2      GLN   2  -4.439   4.690  -0.111
   12    HB3  GLN   2           HB3      GLN   2  -3.324   4.501  -1.456
   13    HG2  GLN   2           HG2      GLN   2  -2.190   4.448   0.722
   14    HG3  GLN   2           HG3      GLN   2  -1.643   5.785  -0.290
   15   HE21  GLN   2          HE21      GLN   2  -3.494   4.893   2.485
   16   HE22  GLN   2          HE22      GLN   2  -3.585   6.461   3.194
   17    H    SER   3           H        SER   3  -2.451   8.155  -0.733
   18    HA   SER   3           HA       SER   3  -1.894   8.987  -3.436
   19    HB2  SER   3           HB2      SER   3  -0.654   9.935  -0.859
   20    HB3  SER   3           HB3      SER   3  -0.742  10.790  -2.400
   21    HG   SER   3           HG       SER   3  -2.851  11.169  -2.108
   22    H    HIS   4           H        HIS   4   0.280   9.213  -4.173
   23    HA   HIS   4           HA       HIS   4   1.931   6.968  -4.109
   24    HB2  HIS   4           HB2      HIS   4   1.837   8.636  -5.932
   25    HB3  HIS   4           HB3      HIS   4   2.508   9.850  -4.866
   26    HD1  HIS   4           HD1      HIS   4   4.562  10.340  -6.159
   27    HD2  HIS   4           HD2      HIS   4   4.119   6.286  -5.423
   28    HE1  HIS   4           HE1      HIS   4   6.679   9.280  -6.974
   29    HE2  HIS   4           HE2      HIS   4   6.190   6.836  -6.871
   30    H    TYR   5           H        TYR   5   3.542   6.371  -2.761
   31    HA   TYR   5           HA       TYR   5   4.952   6.256  -1.074
   32    HB2  TYR   5           HB2      TYR   5   4.961   9.259  -1.244
   33    HB3  TYR   5           HB3      TYR   5   5.789   8.443   0.080
   34    HD1  TYR   5           HD1      TYR   5   7.545   6.733  -0.503
   35    HD2  TYR   5           HD2      TYR   5   5.998   9.479  -3.338
   36    HE1  TYR   5           HE1      TYR   5   9.501   6.335  -1.924
   37    HE2  TYR   5           HE2      TYR   5   7.949   9.086  -4.779
   38    HH   TYR   5           HH       TYR   5  10.333   8.310  -4.448
   39    H    GLY   6           H        GLY   6   1.926   6.673  -0.750
   40    HA2  GLY   6           HA2      GLY   6   1.985   7.000   2.149
   41    HA3  GLY   6           HA3      GLY   6   0.544   7.034   1.127
   42    H    GLN   7           H        GLN   7   0.948   5.404   3.461
   43    HA   GLN   7           HA       GLN   7   1.463   2.740   2.548
   44    HB2  GLN   7           HB2      GLN   7   1.895   3.299   4.895
   45    HB3  GLN   7           HB3      GLN   7   0.202   3.706   5.126
   46    HG2  GLN   7           HG2      GLN   7  -0.456   1.408   4.840
   47    HG3  GLN   7           HG3      GLN   7   1.189   0.947   4.417
   48   HE21  GLN   7          HE21      GLN   7  -0.560   0.010   6.621
   49   HE22  GLN   7          HE22      GLN   7   0.342   0.312   8.047
   50    H    CYS   8           H        CYS   8   0.198   1.724   1.273
   51    HA   CYS   8           HA       CYS   8  -2.550   2.429   0.881
   52    HB2  CYS   8           HB2      CYS   8  -2.420   0.445  -0.725
   53    HB3  CYS   8           HB3      CYS   8  -1.412   1.847  -1.074
   54    H    GLY   9           H        GLY   9  -0.925  -0.577   1.935
   55    HA2  GLY   9           HA2      GLY   9  -2.613  -1.018   4.043
   56    HA3  GLY   9           HA3      GLY   9  -3.422  -1.718   2.650
   57    H    GLY  10           H        GLY  10  -0.983  -2.014   4.972
   58    HA2  GLY  10           HA2      GLY  10  -0.075  -4.521   3.798
   59    HA3  GLY  10           HA3      GLY  10   0.703  -3.670   5.138
   60    H    ILE  11           H        ILE  11   0.524  -5.777   6.268
   61    HA   ILE  11           HA       ILE  11  -2.000  -6.881   6.907
   62    HB   ILE  11           HB       ILE  11   0.624  -7.109   8.420
   63   HG12  ILE  11          HG12      ILE  11  -0.606  -8.967   6.362
   64   HG13  ILE  11          HG13      ILE  11   0.728  -7.863   6.060
   65   HG21  ILE  11          HG21      ILE  11  -0.335  -9.172   9.383
   66   HG22  ILE  11          HG22      ILE  11  -1.867  -8.818   8.585
   67   HG23  ILE  11          HG23      ILE  11  -1.258  -7.741   9.838
   68   HD11  ILE  11          HD11      ILE  11   0.759 -10.194   7.967
   69   HD12  ILE  11          HD12      ILE  11   2.104  -9.096   7.655
   70   HD13  ILE  11          HD13      ILE  11   1.504 -10.142   6.369
   71    H    GLY  12           H        GLY  12  -3.530  -5.787   7.940
   72    HA2  GLY  12           HA2      GLY  12  -4.427  -5.135  10.044
   73    HA3  GLY  12           HA3      GLY  12  -2.834  -4.565  10.511
   74    H    TYR  13           H        TYR  13  -3.995  -3.723   7.366
   75    HA   TYR  13           HA       TYR  13  -4.481  -1.017   8.399
   76    HB2  TYR  13           HB2      TYR  13  -2.548  -1.343   6.774
   77    HB3  TYR  13           HB3      TYR  13  -3.759  -1.741   5.556
   78    HD1  TYR  13           HD1      TYR  13  -2.380   0.924   7.668
   79    HD2  TYR  13           HD2      TYR  13  -5.089  -0.002   4.542
   80    HE1  TYR  13           HE1      TYR  13  -2.631   3.323   7.190
   81    HE2  TYR  13           HE2      TYR  13  -5.345   2.389   4.050
   82    HH   TYR  13           HH       TYR  13  -3.308   4.755   5.294
   83    H    SER  14           H        SER  14  -6.530  -0.254   8.282
   84    HA   SER  14           HA       SER  14  -8.450  -1.719   6.621
   85    HB2  SER  14           HB2      SER  14 -10.094  -0.866   8.382
   86    HB3  SER  14           HB3      SER  14  -8.949  -2.108   8.899
   87    HG   SER  14           HG       SER  14  -8.855   0.687   9.383
   88    H    GLY  15           H        GLY  15  -6.775   0.959   6.408
   89    HA2  GLY  15           HA2      GLY  15  -8.914   2.860   5.873
   90    HA3  GLY  15           HA3      GLY  15  -7.190   3.174   5.779
   91    HA   PRO  16           HA       PRO  16  -8.695   2.946   1.465
   92    HB2  PRO  16           HB2      PRO  16  -7.096   4.899   0.461
   93    HB3  PRO  16           HB3      PRO  16  -8.628   5.233   1.270
   94    HG2  PRO  16           HG2      PRO  16  -5.848   5.457   2.318
   95    HG3  PRO  16           HG3      PRO  16  -7.253   6.492   2.630
   96    HD2  PRO  16           HD2      PRO  16  -6.319   4.550   4.349
   97    HD3  PRO  16           HD3      PRO  16  -7.984   5.162   4.341
   98    H    THR  17           H        THR  17  -7.941   1.141   0.614
   99    HA   THR  17           HA       THR  17  -5.133   0.524   0.607
  100    HB   THR  17           HB       THR  17  -6.129  -1.673  -0.324
  101    HG1  THR  17           HG1      THR  17  -8.214  -1.456  -0.724
  102   HG21  THR  17          HG21      THR  17  -6.862  -0.716   2.458
  103   HG22  THR  17          HG22      THR  17  -5.299  -1.373   1.988
  104   HG23  THR  17          HG23      THR  17  -6.735  -2.400   1.949
  105    H    VAL  18           H        VAL  18  -7.475   1.756  -1.584
  106    HA   VAL  18           HA       VAL  18  -6.093   0.760  -3.938
  107    HB   VAL  18           HB       VAL  18  -8.452   2.674  -3.755
  108   HG11  VAL  18          HG11      VAL  18  -8.722   2.271  -6.167
  109   HG12  VAL  18          HG12      VAL  18  -7.258   1.292  -6.166
  110   HG13  VAL  18          HG13      VAL  18  -7.166   3.018  -5.811
  111   HG21  VAL  18          HG21      VAL  18  -8.353  -0.244  -4.506
  112   HG22  VAL  18          HG22      VAL  18  -9.793   0.781  -4.514
  113   HG23  VAL  18          HG23      VAL  18  -8.970   0.415  -2.993
  114    H    CYS  19           H        CYS  19  -4.473   1.741  -4.812
  115    HA   CYS  19           HA       CYS  19  -3.590   4.295  -3.847
  116    HB2  CYS  19           HB2      CYS  19  -2.425   2.410  -5.886
  117    HB3  CYS  19           HB3      CYS  19  -1.630   3.858  -5.281
  118    H    ALA  20           H        ALA  20  -2.570   5.746  -5.613
  119    HA   ALA  20           HA       ALA  20  -4.689   6.792  -7.199
  120    HB1  ALA  20           HB1      ALA  20  -3.104   8.533  -7.766
  121    HB2  ALA  20           HB2      ALA  20  -1.775   7.562  -7.141
  122    HB3  ALA  20           HB3      ALA  20  -2.989   8.194  -6.035
  123    H    SER  21           H        SER  21  -4.449   7.334  -9.499
  124    HA   SER  21           HA       SER  21  -4.149   5.042 -11.031
  125    HB2  SER  21           HB2      SER  21  -4.150   7.923 -11.929
  126    HB3  SER  21           HB3      SER  21  -4.607   6.515 -12.889
  127    HG   SER  21           HG       SER  21  -6.256   7.912 -11.702
  128    H    GLY  22           H        GLY  22  -2.249   4.099 -11.432
  129    HA2  GLY  22           HA2      GLY  22  -0.255   4.142 -12.796
  130    HA3  GLY  22           HA3      GLY  22  -0.026   5.815 -12.314
  131    H    THR  23           H        THR  23  -1.007   4.243  -9.607
  132    HA   THR  23           HA       THR  23   1.742   3.499  -8.909
  133    HB   THR  23           HB       THR  23   1.297   4.247  -6.568
  134    HG1  THR  23           HG1      THR  23  -1.192   4.786  -7.667
  135   HG21  THR  23          HG21      THR  23   1.448   6.667  -6.968
  136   HG22  THR  23          HG22      THR  23   0.930   6.418  -8.634
  137   HG23  THR  23          HG23      THR  23   2.472   5.759  -8.081
  138    H    THR  24           H        THR  24   2.011   1.622  -7.769
  139    HA   THR  24           HA       THR  24  -0.444   0.093  -7.367
  140    HB   THR  24           HB       THR  24   1.058  -1.934  -7.553
  141    HG1  THR  24           HG1      THR  24   2.958   0.019  -7.717
  142   HG21  THR  24          HG21      THR  24   0.921  -0.127  -9.974
  143   HG22  THR  24          HG22      THR  24  -0.349  -1.223  -9.435
  144   HG23  THR  24          HG23      THR  24   1.191  -1.868 -10.011
  145    H    CYS  25           H        CYS  25  -0.609  -1.134  -5.482
  146    HA   CYS  25           HA       CYS  25   0.738  -0.035  -3.195
  147    HB2  CYS  25           HB2      CYS  25  -1.651  -0.715  -3.103
  148    HB3  CYS  25           HB3      CYS  25  -1.189  -2.371  -3.455
  149    H    GLN  26           H        GLN  26   2.884  -0.600  -3.114
  150    HA   GLN  26           HA       GLN  26   3.525  -3.379  -3.709
  151    HB2  GLN  26           HB2      GLN  26   5.444  -1.059  -3.455
  152    HB3  GLN  26           HB3      GLN  26   5.825  -2.687  -4.006
  153    HG2  GLN  26           HG2      GLN  26   4.211  -2.296  -5.899
  154    HG3  GLN  26           HG3      GLN  26   4.168  -0.605  -5.413
  155   HE21  GLN  26          HE21      GLN  26   5.119   0.174  -7.274
  156   HE22  GLN  26          HE22      GLN  26   6.769  -0.140  -7.676
  157    H    VAL  27           H        VAL  27   4.482  -4.651  -2.301
  158    HA   VAL  27           HA       VAL  27   4.231  -3.940   0.482
  159    HB   VAL  27           HB       VAL  27   5.104  -6.551  -0.789
  160   HG11  VAL  27          HG11      VAL  27   5.828  -6.385   1.517
  161   HG12  VAL  27          HG12      VAL  27   4.527  -7.568   1.362
  162   HG13  VAL  27          HG13      VAL  27   4.190  -5.967   2.022
  163   HG21  VAL  27          HG21      VAL  27   2.847  -5.977  -1.484
  164   HG22  VAL  27          HG22      VAL  27   2.379  -5.703   0.191
  165   HG23  VAL  27          HG23      VAL  27   2.810  -7.327  -0.349
  166    H    LEU  28           H        LEU  28   5.880  -2.724   1.206
  167    HA   LEU  28           HA       LEU  28   8.613  -3.319   0.398
  168    HB2  LEU  28           HB2      LEU  28   7.616  -1.333   2.449
  169    HB3  LEU  28           HB3      LEU  28   9.242  -1.426   1.815
  170    HG   LEU  28           HG       LEU  28   6.772  -0.577   0.299
  171   HD11  LEU  28          HD11      LEU  28   7.612   1.052   1.899
  172   HD12  LEU  28          HD12      LEU  28   7.853   1.595   0.238
  173   HD13  LEU  28          HD13      LEU  28   9.210   0.950   1.167
  174   HD21  LEU  28          HD21      LEU  28   8.292  -0.035  -1.519
  175   HD22  LEU  28          HD22      LEU  28   8.305  -1.770  -1.180
  176   HD23  LEU  28          HD23      LEU  28   9.635  -0.744  -0.621
  177    H    ASN  29           H        ASN  29   6.540  -3.410   3.223
  178    HA   ASN  29           HA       ASN  29   8.327  -5.338   4.507
  179    HB2  ASN  29           HB2      ASN  29   6.884  -3.038   5.888
  180    HB3  ASN  29           HB3      ASN  29   7.785  -4.308   6.692
  181   HD21  ASN  29          HD21      ASN  29   7.975  -1.344   4.920
  182   HD22  ASN  29          HD22      ASN  29   9.655  -1.070   5.177
  183    HA   PRO  30           HA       PRO  30   4.590  -7.696   4.986
  184    HB2  PRO  30           HB2      PRO  30   4.925  -7.690   7.948
  185    HB3  PRO  30           HB3      PRO  30   4.719  -9.057   6.847
  186    HG2  PRO  30           HG2      PRO  30   7.098  -8.539   7.884
  187    HG3  PRO  30           HG3      PRO  30   6.954  -9.028   6.183
  188    HD2  PRO  30           HD2      PRO  30   7.387  -6.310   7.352
  189    HD3  PRO  30           HD3      PRO  30   8.131  -7.030   5.909
  190    H    TYR  31           H        TYR  31   4.923  -5.173   7.475
  191    HA   TYR  31           HA       TYR  31   2.020  -4.907   7.495
  192    HB2  TYR  31           HB2      TYR  31   4.090  -3.581   9.251
  193    HB3  TYR  31           HB3      TYR  31   2.353  -3.442   9.433
  194    HD1  TYR  31           HD1      TYR  31   1.055  -5.286  10.341
  195    HD2  TYR  31           HD2      TYR  31   5.269  -5.610   9.894
  196    HE1  TYR  31           HE1      TYR  31   1.065  -7.230  11.845
  197    HE2  TYR  31           HE2      TYR  31   5.285  -7.559  11.395
  198    HH   TYR  31           HH       TYR  31   2.462  -9.157  12.279
  199    H    TYR  32           H        TYR  32   4.874  -3.259   6.343
  200    HA   TYR  32           HA       TYR  32   3.226  -0.925   5.736
  201    HB2  TYR  32           HB2      TYR  32   5.474  -0.561   6.873
  202    HB3  TYR  32           HB3      TYR  32   6.212  -1.154   5.400
  203    HD1  TYR  32           HD1      TYR  32   6.509   0.233   3.518
  204    HD2  TYR  32           HD2      TYR  32   4.117   1.547   6.764
  205    HE1  TYR  32           HE1      TYR  32   6.412   2.483   2.531
  206    HE2  TYR  32           HE2      TYR  32   4.008   3.798   5.793
  207    HH   TYR  32           HH       TYR  32   5.284   5.167   4.259
  208    H    SER  33           H        SER  33   2.277  -0.961   3.877
  209    HA   SER  33           HA       SER  33   3.761  -1.860   1.526
  210    HB2  SER  33           HB2      SER  33   0.766  -1.885   2.039
  211    HB3  SER  33           HB3      SER  33   1.532  -2.432   0.552
  212    HG   SER  33           HG       SER  33   2.734  -3.709   2.505
  213    H    GLN  34           H        GLN  34   3.715  -0.336  -0.215
  214    HA   GLN  34           HA       GLN  34   2.603   2.283   0.525
  215    HB2  GLN  34           HB2      GLN  34   4.948   2.177   1.151
  216    HB3  GLN  34           HB3      GLN  34   5.386   1.712  -0.484
  217    HG2  GLN  34           HG2      GLN  34   4.634   3.853  -1.309
  218    HG3  GLN  34           HG3      GLN  34   4.144   4.335   0.319
  219   HE21  GLN  34          HE21      GLN  34   5.769   4.786   1.846
  220   HE22  GLN  34          HE22      GLN  34   7.379   5.104   1.372
  221    H    CYS  35           H        CYS  35   1.860   3.500  -1.140
  222    HA   CYS  35           HA       CYS  35   1.389   2.239  -3.662
  223    HB2  CYS  35           HB2      CYS  35   0.854   5.068  -2.764
  224    HB3  CYS  35           HB3      CYS  35   0.289   4.368  -4.278
  225    H    LEU  36           H        LEU  36   2.966   1.971  -5.010
  226    HA   LEU  36           HA       LEU  36   4.626   4.228  -5.808
  227    HB2  LEU  36           HB2      LEU  36   5.511   1.378  -5.342
  228    HB3  LEU  36           HB3      LEU  36   6.491   2.604  -6.115
  229    HG   LEU  36           HG       LEU  36   5.518   2.752  -3.260
  230   HD11  LEU  36          HD11      LEU  36   8.241   2.030  -4.340
  231   HD12  LEU  36          HD12      LEU  36   7.104   0.922  -3.565
  232   HD13  LEU  36          HD13      LEU  36   7.809   2.246  -2.640
  233   HD21  LEU  36          HD21      LEU  36   7.155   4.565  -3.080
  234   HD22  LEU  36          HD22      LEU  36   5.908   4.938  -4.264
  235   HD23  LEU  36          HD23      LEU  36   7.505   4.415  -4.801
  236    H1   MAN 101           H1       MAN 101  -5.312   8.007  -5.932
  237    H2   MAN 101           H2       MAN 101  -5.744  10.429  -5.405
  238    H3   MAN 101           H3       MAN 101  -8.107  10.587  -5.955
  239    H4   MAN 101           H4       MAN 101  -7.172  10.107  -8.800
  240    H5   MAN 101           H5       MAN 101  -8.831   8.277  -6.934
  241    H61  MAN 101           H61      MAN 101  -7.825   7.951  -9.781
  242    H62  MAN 101           H62      MAN 101  -9.540   8.002  -9.284
  243    HO2  MAN 101           HO2      MAN 101  -5.176  11.158  -7.424
  244    HO3  MAN 101           HO3      MAN 101  -7.869  12.343  -7.435
  245    HO4  MAN 101           HO4      MAN 101  -9.426  10.241  -9.191
  246    HO6  MAN 101           HO6      MAN 101  -7.662   6.121  -8.247
  Start of MODEL   14
    1    H1   THR   1           H1       THR   1  -8.734   6.608  -1.054
    2    H2   THR   1           H2       THR   1  -9.478   6.426  -2.562
    3    H3   THR   1           H3       THR   1  -8.450   7.725  -2.260
    4    HA   THR   1           HA       THR   1  -7.559   4.947  -2.298
    5    HB   THR   1           HB       THR   1  -6.293   5.770  -4.350
    6   HG21  THR   1          HG21      THR   1  -9.325   5.841  -4.537
    7   HG22  THR   1          HG22      THR   1  -8.393   4.354  -4.415
    8   HG23  THR   1          HG23      THR   1  -8.232   5.381  -5.836
    9    H    GLN   2           H        GLN   2  -5.148   4.934  -2.350
   10    HA   GLN   2           HA       GLN   2  -4.172   6.849  -0.387
   11    HB2  GLN   2           HB2      GLN   2  -3.925   4.325  -0.155
   12    HB3  GLN   2           HB3      GLN   2  -2.803   4.404  -1.499
   13    HG2  GLN   2           HG2      GLN   2  -1.493   4.379   0.462
   14    HG3  GLN   2           HG3      GLN   2  -1.448   6.022  -0.172
   15   HE21  GLN   2          HE21      GLN   2  -4.111   4.565   1.616
   16   HE22  GLN   2          HE22      GLN   2  -3.987   5.593   2.982
   17    H    SER   3           H        SER   3  -2.511   8.273  -0.859
   18    HA   SER   3           HA       SER   3  -1.930   8.783  -3.635
   19    HB2  SER   3           HB2      SER   3  -0.955  10.148  -1.115
   20    HB3  SER   3           HB3      SER   3  -0.758  10.761  -2.757
   21    HG   SER   3           HG       SER   3  -3.137  10.412  -1.269
   22    H    HIS   4           H        HIS   4   0.432   9.382  -4.138
   23    HA   HIS   4           HA       HIS   4   1.997   7.036  -4.042
   24    HB2  HIS   4           HB2      HIS   4   2.023   8.819  -5.830
   25    HB3  HIS   4           HB3      HIS   4   2.897   9.853  -4.711
   26    HD1  HIS   4           HD1      HIS   4   5.234   9.970  -5.603
   27    HD2  HIS   4           HD2      HIS   4   3.686   6.123  -5.776
   28    HE1  HIS   4           HE1      HIS   4   7.098   8.530  -6.437
   29    HE2  HIS   4           HE2      HIS   4   6.030   6.312  -6.837
   30    H    TYR   5           H        TYR   5   3.591   6.405  -2.680
   31    HA   TYR   5           HA       TYR   5   4.955   6.260  -0.929
   32    HB2  TYR   5           HB2      TYR   5   4.789   9.246  -0.958
   33    HB3  TYR   5           HB3      TYR   5   5.482   8.443   0.438
   34    HD1  TYR   5           HD1      TYR   5   6.053   9.612  -2.909
   35    HD2  TYR   5           HD2      TYR   5   7.484   6.966   0.086
   36    HE1  TYR   5           HE1      TYR   5   8.252   9.559  -4.002
   37    HE2  TYR   5           HE2      TYR   5   9.677   6.898  -0.999
   38    HH   TYR   5           HH       TYR   5  10.559   9.133  -3.389
   39    H    GLY   6           H        GLY   6   1.861   6.594  -0.767
   40    HA2  GLY   6           HA2      GLY   6   1.732   6.918   2.125
   41    HA3  GLY   6           HA3      GLY   6   0.359   6.795   1.031
   42    H    GLN   7           H        GLN   7   0.823   5.311   3.469
   43    HA   GLN   7           HA       GLN   7   1.502   2.630   2.759
   44    HB2  GLN   7           HB2      GLN   7   1.755   3.470   5.074
   45    HB3  GLN   7           HB3      GLN   7   0.023   3.733   5.164
   46    HG2  GLN   7           HG2      GLN   7  -0.364   1.320   4.995
   47    HG3  GLN   7           HG3      GLN   7   1.376   1.047   4.890
   48   HE21  GLN   7          HE21      GLN   7   1.359  -0.245   6.830
   49   HE22  GLN   7          HE22      GLN   7   1.157   0.491   8.354
   50    H    CYS   8           H        CYS   8   0.270   1.895   1.144
   51    HA   CYS   8           HA       CYS   8  -2.448   2.446   0.724
   52    HB2  CYS   8           HB2      CYS   8  -2.279   0.443  -0.843
   53    HB3  CYS   8           HB3      CYS   8  -1.207   1.808  -1.156
   54    H    GLY   9           H        GLY   9  -0.937  -0.543   1.837
   55    HA2  GLY   9           HA2      GLY   9  -2.837  -1.004   3.807
   56    HA3  GLY   9           HA3      GLY   9  -3.378  -1.793   2.328
   57    H    GLY  10           H        GLY  10  -1.108  -1.764   4.865
   58    HA2  GLY  10           HA2      GLY  10   0.001  -4.270   3.866
   59    HA3  GLY  10           HA3      GLY  10   0.658  -3.333   5.213
   60    H    ILE  11           H        ILE  11   0.465  -5.610   6.216
   61    HA   ILE  11           HA       ILE  11  -2.125  -6.537   6.885
   62    HB   ILE  11           HB       ILE  11   0.505  -7.037   8.335
   63   HG12  ILE  11          HG12      ILE  11  -0.893  -8.736   6.246
   64   HG13  ILE  11          HG13      ILE  11   0.526  -7.741   5.950
   65   HG21  ILE  11          HG21      ILE  11  -2.116  -8.547   8.459
   66   HG22  ILE  11          HG22      ILE  11  -1.427  -7.554   9.743
   67   HG23  ILE  11          HG23      ILE  11  -0.616  -9.039   9.244
   68   HD11  ILE  11          HD11      ILE  11   1.108 -10.093   6.218
   69   HD12  ILE  11          HD12      ILE  11   0.383 -10.091   7.828
   70   HD13  ILE  11          HD13      ILE  11   1.811  -9.111   7.501
   71    H    GLY  12           H        GLY  12  -3.499  -5.409   8.063
   72    HA2  GLY  12           HA2      GLY  12  -4.127  -4.719  10.280
   73    HA3  GLY  12           HA3      GLY  12  -2.489  -4.134  10.515
   74    H    TYR  13           H        TYR  13  -3.270  -3.188   7.481
   75    HA   TYR  13           HA       TYR  13  -4.346  -0.628   8.464
   76    HB2  TYR  13           HB2      TYR  13  -2.104  -0.497   7.339
   77    HB3  TYR  13           HB3      TYR  13  -2.826  -1.169   5.886
   78    HD1  TYR  13           HD1      TYR  13  -4.458   0.209   4.577
   79    HD2  TYR  13           HD2      TYR  13  -2.347   1.821   7.893
   80    HE1  TYR  13           HE1      TYR  13  -5.014   2.473   3.823
   81    HE2  TYR  13           HE2      TYR  13  -2.908   4.095   7.141
   82    HH   TYR  13           HH       TYR  13  -3.513   5.227   5.080
   83    H    SER  14           H        SER  14  -6.469  -0.361   8.025
   84    HA   SER  14           HA       SER  14  -7.555  -1.869   5.760
   85    HB2  SER  14           HB2      SER  14  -9.678  -1.861   7.097
   86    HB3  SER  14           HB3      SER  14  -8.361  -2.808   7.790
   87    HG   SER  14           HG       SER  14  -9.592  -0.529   8.702
   88    H    GLY  15           H        GLY  15  -6.577   1.051   6.204
   89    HA2  GLY  15           HA2      GLY  15  -8.908   2.647   5.651
   90    HA3  GLY  15           HA3      GLY  15  -7.235   3.178   5.551
   91    HA   PRO  16           HA       PRO  16  -8.661   2.999   1.200
   92    HB2  PRO  16           HB2      PRO  16  -6.991   4.974   0.284
   93    HB3  PRO  16           HB3      PRO  16  -8.596   5.270   0.953
   94    HG2  PRO  16           HG2      PRO  16  -5.931   5.626   2.203
   95    HG3  PRO  16           HG3      PRO  16  -7.420   6.549   2.449
   96    HD2  PRO  16           HD2      PRO  16  -6.430   4.633   4.177
   97    HD3  PRO  16           HD3      PRO  16  -8.118   5.164   4.124
   98    H    THR  17           H        THR  17  -7.858   1.111   0.553
   99    HA   THR  17           HA       THR  17  -5.059   0.523   0.733
  100    HB   THR  17           HB       THR  17  -5.920  -1.750  -0.081
  101    HG1  THR  17           HG1      THR  17  -8.429  -1.082   0.856
  102   HG21  THR  17          HG21      THR  17  -5.366  -1.240   2.282
  103   HG22  THR  17          HG22      THR  17  -6.760  -2.310   2.160
  104   HG23  THR  17          HG23      THR  17  -6.990  -0.598   2.511
  105    H    VAL  18           H        VAL  18  -7.263   1.441  -1.752
  106    HA   VAL  18           HA       VAL  18  -5.516   0.388  -3.835
  107    HB   VAL  18           HB       VAL  18  -8.054   2.030  -4.129
  108   HG11  VAL  18          HG11      VAL  18  -6.643   2.144  -6.110
  109   HG12  VAL  18          HG12      VAL  18  -8.099   1.203  -6.440
  110   HG13  VAL  18          HG13      VAL  18  -6.560   0.383  -6.168
  111   HG21  VAL  18          HG21      VAL  18  -7.694  -0.960  -4.269
  112   HG22  VAL  18          HG22      VAL  18  -9.178  -0.096  -4.671
  113   HG23  VAL  18          HG23      VAL  18  -8.560  -0.068  -3.019
  114    H    CYS  19           H        CYS  19  -4.242   1.697  -5.095
  115    HA   CYS  19           HA       CYS  19  -3.574   4.207  -3.840
  116    HB2  CYS  19           HB2      CYS  19  -2.222   2.665  -6.051
  117    HB3  CYS  19           HB3      CYS  19  -1.579   4.086  -5.240
  118    H    ALA  20           H        ALA  20  -2.596   5.770  -5.735
  119    HA   ALA  20           HA       ALA  20  -4.947   6.659  -7.128
  120    HB1  ALA  20           HB1      ALA  20  -2.165   7.811  -6.996
  121    HB2  ALA  20           HB2      ALA  20  -3.532   8.285  -5.986
  122    HB3  ALA  20           HB3      ALA  20  -3.560   8.605  -7.720
  123    H    SER  21           H        SER  21  -4.580   7.495  -9.440
  124    HA   SER  21           HA       SER  21  -4.251   5.267 -11.075
  125    HB2  SER  21           HB2      SER  21  -4.301   8.190 -11.829
  126    HB3  SER  21           HB3      SER  21  -4.782   6.815 -12.830
  127    HG   SER  21           HG       SER  21  -6.441   6.390 -11.400
  128    H    GLY  22           H        GLY  22  -2.338   4.381 -11.521
  129    HA2  GLY  22           HA2      GLY  22  -0.350   4.523 -12.865
  130    HA3  GLY  22           HA3      GLY  22  -0.108   6.150 -12.236
  131    H    THR  23           H        THR  23  -1.118   4.490  -9.637
  132    HA   THR  23           HA       THR  23   1.613   3.658  -8.956
  133    HB   THR  23           HB       THR  23   1.134   4.371  -6.589
  134    HG1  THR  23           HG1      THR  23  -1.288   4.941  -7.730
  135   HG21  THR  23          HG21      THR  23   0.961   6.576  -8.649
  136   HG22  THR  23          HG22      THR  23   2.446   5.821  -8.061
  137   HG23  THR  23          HG23      THR  23   1.444   6.771  -6.964
  138    H    THR  24           H        THR  24   1.838   1.835  -7.658
  139    HA   THR  24           HA       THR  24  -0.626   0.284  -7.301
  140    HB   THR  24           HB       THR  24   0.890  -1.746  -7.541
  141    HG1  THR  24           HG1      THR  24   2.765   0.226  -7.832
  142   HG21  THR  24          HG21      THR  24   0.544   0.063  -9.936
  143   HG22  THR  24          HG22      THR  24  -0.653  -1.076  -9.317
  144   HG23  THR  24          HG23      THR  24   0.860  -1.669 -10.004
  145    H    CYS  25           H        CYS  25  -0.561  -1.251  -5.520
  146    HA   CYS  25           HA       CYS  25   0.740  -0.071  -3.228
  147    HB2  CYS  25           HB2      CYS  25  -1.629  -0.769  -3.092
  148    HB3  CYS  25           HB3      CYS  25  -1.168  -2.421  -3.470
  149    H    GLN  26           H        GLN  26   2.845  -0.608  -3.081
  150    HA   GLN  26           HA       GLN  26   3.553  -3.331  -3.786
  151    HB2  GLN  26           HB2      GLN  26   5.356  -0.934  -3.449
  152    HB3  GLN  26           HB3      GLN  26   5.875  -2.542  -3.939
  153    HG2  GLN  26           HG2      GLN  26   4.331  -2.333  -5.904
  154    HG3  GLN  26           HG3      GLN  26   4.089  -0.653  -5.448
  155   HE21  GLN  26          HE21      GLN  26   4.980   0.181  -7.270
  156   HE22  GLN  26          HE22      GLN  26   6.646   0.037  -7.675
  157    H    VAL  27           H        VAL  27   4.311  -4.690  -2.405
  158    HA   VAL  27           HA       VAL  27   4.062  -4.066   0.386
  159    HB   VAL  27           HB       VAL  27   4.832  -6.670  -0.978
  160   HG11  VAL  27          HG11      VAL  27   3.994  -6.142   1.871
  161   HG12  VAL  27          HG12      VAL  27   5.605  -6.617   1.330
  162   HG13  VAL  27          HG13      VAL  27   4.248  -7.730   1.149
  163   HG21  VAL  27          HG21      VAL  27   2.582  -5.942  -1.587
  164   HG22  VAL  27          HG22      VAL  27   2.171  -5.769   0.121
  165   HG23  VAL  27          HG23      VAL  27   2.525  -7.362  -0.545
  166    H    LEU  28           H        LEU  28   5.691  -2.863   1.082
  167    HA   LEU  28           HA       LEU  28   8.458  -3.429   0.406
  168    HB2  LEU  28           HB2      LEU  28   7.368  -1.576   2.537
  169    HB3  LEU  28           HB3      LEU  28   8.987  -1.562   1.885
  170    HG   LEU  28           HG       LEU  28   6.456  -0.701   0.477
  171   HD11  LEU  28          HD11      LEU  28   8.888   0.819   1.369
  172   HD12  LEU  28          HD12      LEU  28   7.286   0.871   2.106
  173   HD13  LEU  28          HD13      LEU  28   7.523   1.488   0.474
  174   HD21  LEU  28          HD21      LEU  28   7.955  -1.764  -1.124
  175   HD22  LEU  28          HD22      LEU  28   9.277  -0.728  -0.544
  176   HD23  LEU  28          HD23      LEU  28   7.877  -0.011  -1.346
  177    H    ASN  29           H        ASN  29   6.377  -3.430   3.234
  178    HA   ASN  29           HA       ASN  29   8.010  -5.489   4.527
  179    HB2  ASN  29           HB2      ASN  29   6.580  -3.126   5.814
  180    HB3  ASN  29           HB3      ASN  29   7.341  -4.461   6.658
  181   HD21  ASN  29          HD21      ASN  29   7.859  -1.507   4.940
  182   HD22  ASN  29          HD22      ASN  29   9.505  -1.318   5.399
  183    HA   PRO  30           HA       PRO  30   4.071  -7.555   4.920
  184    HB2  PRO  30           HB2      PRO  30   4.230  -7.763   7.857
  185    HB3  PRO  30           HB3      PRO  30   4.178  -9.049   6.648
  186    HG2  PRO  30           HG2      PRO  30   6.413  -8.464   8.024
  187    HG3  PRO  30           HG3      PRO  30   6.457  -9.045   6.354
  188    HD2  PRO  30           HD2      PRO  30   6.826  -6.303   7.427
  189    HD3  PRO  30           HD3      PRO  30   7.642  -7.095   6.061
  190    H    TYR  31           H        TYR  31   4.584  -5.216   7.586
  191    HA   TYR  31           HA       TYR  31   1.713  -4.742   7.582
  192    HB2  TYR  31           HB2      TYR  31   3.819  -3.632   9.465
  193    HB3  TYR  31           HB3      TYR  31   2.078  -3.555   9.666
  194    HD1  TYR  31           HD1      TYR  31   5.032  -5.741   9.917
  195    HD2  TYR  31           HD2      TYR  31   0.806  -5.532  10.334
  196    HE1  TYR  31           HE1      TYR  31   5.052  -7.874  11.106
  197    HE2  TYR  31           HE2      TYR  31   0.823  -7.669  11.527
  198    HH   TYR  31           HH       TYR  31   2.148  -9.571  11.785
  199    H    TYR  32           H        TYR  32   4.713  -3.247   6.635
  200    HA   TYR  32           HA       TYR  32   3.173  -0.861   5.931
  201    HB2  TYR  32           HB2      TYR  32   5.394  -0.526   7.176
  202    HB3  TYR  32           HB3      TYR  32   6.170  -1.115   5.722
  203    HD1  TYR  32           HD1      TYR  32   6.659   0.324   3.941
  204    HD2  TYR  32           HD2      TYR  32   3.865   1.536   6.902
  205    HE1  TYR  32           HE1      TYR  32   6.559   2.557   2.917
  206    HE2  TYR  32           HE2      TYR  32   3.758   3.774   5.904
  207    HH   TYR  32           HH       TYR  32   5.063   5.220   4.507
  208    H    SER  33           H        SER  33   2.329  -0.868   4.002
  209    HA   SER  33           HA       SER  33   3.951  -1.801   1.770
  210    HB2  SER  33           HB2      SER  33   0.940  -2.047   2.114
  211    HB3  SER  33           HB3      SER  33   1.852  -2.596   0.705
  212    HG   SER  33           HG       SER  33   3.076  -3.742   2.652
  213    H    GLN  34           H        GLN  34   3.768  -0.379  -0.098
  214    HA   GLN  34           HA       GLN  34   2.619   2.228   0.618
  215    HB2  GLN  34           HB2      GLN  34   4.931   2.223   1.320
  216    HB3  GLN  34           HB3      GLN  34   5.442   1.675  -0.263
  217    HG2  GLN  34           HG2      GLN  34   4.746   3.761  -1.234
  218    HG3  GLN  34           HG3      GLN  34   4.149   4.327   0.332
  219   HE21  GLN  34          HE21      GLN  34   5.675   4.847   1.947
  220   HE22  GLN  34          HE22      GLN  34   7.315   5.161   1.522
  221    H    CYS  35           H        CYS  35   1.948   3.468  -1.044
  222    HA   CYS  35           HA       CYS  35   1.500   2.225  -3.576
  223    HB2  CYS  35           HB2      CYS  35   0.953   5.024  -2.627
  224    HB3  CYS  35           HB3      CYS  35   0.483   4.403  -4.205
  225    H    LEU  36           H        LEU  36   2.973   2.011  -4.965
  226    HA   LEU  36           HA       LEU  36   4.610   4.270  -5.751
  227    HB2  LEU  36           HB2      LEU  36   5.564   1.424  -5.365
  228    HB3  LEU  36           HB3      LEU  36   6.499   2.684  -6.136
  229    HG   LEU  36           HG       LEU  36   5.613   2.742  -3.243
  230   HD11  LEU  36          HD11      LEU  36   7.929   2.272  -2.706
  231   HD12  LEU  36          HD12      LEU  36   8.309   2.100  -4.423
  232   HD13  LEU  36          HD13      LEU  36   7.222   0.953  -3.637
  233   HD21  LEU  36          HD21      LEU  36   7.530   4.501  -4.785
  234   HD22  LEU  36          HD22      LEU  36   7.233   4.584  -3.050
  235   HD23  LEU  36          HD23      LEU  36   5.941   4.976  -4.180
  236    H1   MAN 101           H1       MAN 101  -5.860   7.742  -5.786
  237    H2   MAN 101           H2       MAN 101  -8.162   9.721  -5.572
  238    H3   MAN 101           H3       MAN 101  -7.256  10.890  -7.343
  239    H4   MAN 101           H4       MAN 101  -5.732   8.376  -8.059
  240    H5   MAN 101           H5       MAN 101  -8.786   8.655  -7.726
  241    H61  MAN 101           H61      MAN 101  -7.115   6.706  -9.367
  242    H62  MAN 101           H62      MAN 101  -8.512   7.649  -9.922
  243    HO2  MAN 101           HO2      MAN 101  -5.394   9.958  -5.032
  244    HO3  MAN 101           HO3      MAN 101  -5.005  10.900  -7.747
  245    HO4  MAN 101           HO4      MAN 101  -6.664   8.953 -10.112
  246    HO6  MAN 101           HO6      MAN 101  -8.432   5.351  -8.334
  Start of MODEL   15
    1    H1   THR   1           H1       THR   1  -8.877   6.567  -1.661
    2    H2   THR   1           H2       THR   1  -9.378   6.453  -3.275
    3    H3   THR   1           H3       THR   1  -8.429   7.735  -2.769
    4    HA   THR   1           HA       THR   1  -7.477   4.953  -2.830
    5    HB   THR   1           HB       THR   1  -5.902   5.996  -4.518
    6   HG21  THR   1          HG21      THR   1  -8.846   5.733  -5.256
    7   HG22  THR   1          HG22      THR   1  -7.695   4.413  -5.143
    8   HG23  THR   1          HG23      THR   1  -7.504   5.631  -6.396
    9    H    GLN   2           H        GLN   2  -5.290   4.769  -2.223
   10    HA   GLN   2           HA       GLN   2  -4.352   6.762  -0.358
   11    HB2  GLN   2           HB2      GLN   2  -4.078   4.214  -0.113
   12    HB3  GLN   2           HB3      GLN   2  -2.882   4.333  -1.388
   13    HG2  GLN   2           HG2      GLN   2  -1.665   4.340   0.632
   14    HG3  GLN   2           HG3      GLN   2  -1.647   5.990   0.025
   15   HE21  GLN   2          HE21      GLN   2  -4.376   4.467   1.639
   16   HE22  GLN   2          HE22      GLN   2  -4.321   5.424   3.057
   17    H    SER   3           H        SER   3  -2.707   8.178  -0.825
   18    HA   SER   3           HA       SER   3  -2.127   8.600  -3.607
   19    HB2  SER   3           HB2      SER   3  -1.243  10.148  -1.169
   20    HB3  SER   3           HB3      SER   3  -1.166  10.700  -2.847
   21    HG   SER   3           HG       SER   3  -3.555  10.114  -2.748
   22    H    HIS   4           H        HIS   4   0.155   9.247  -4.192
   23    HA   HIS   4           HA       HIS   4   1.890   7.076  -4.086
   24    HB2  HIS   4           HB2      HIS   4   1.784   8.950  -5.786
   25    HB3  HIS   4           HB3      HIS   4   2.601   9.968  -4.617
   26    HD1  HIS   4           HD1      HIS   4   4.771  10.342  -5.802
   27    HD2  HIS   4           HD2      HIS   4   3.725   6.333  -5.669
   28    HE1  HIS   4           HE1      HIS   4   6.688   9.112  -6.844
   29    HE2  HIS   4           HE2      HIS   4   5.905   6.756  -7.011
   30    H    TYR   5           H        TYR   5   3.417   6.437  -2.670
   31    HA   TYR   5           HA       TYR   5   4.782   6.265  -0.943
   32    HB2  TYR   5           HB2      TYR   5   4.761   9.267  -0.986
   33    HB3  TYR   5           HB3      TYR   5   5.530   8.410   0.335
   34    HD1  TYR   5           HD1      TYR   5   7.671   7.470   0.086
   35    HD2  TYR   5           HD2      TYR   5   5.598   8.889  -3.335
   36    HE1  TYR   5           HE1      TYR   5   9.722   7.242  -1.241
   37    HE2  TYR   5           HE2      TYR   5   7.640   8.659  -4.670
   38    HH   TYR   5           HH       TYR   5  10.366   6.986  -3.555
   39    H    GLY   6           H        GLY   6   1.732   6.683  -0.667
   40    HA2  GLY   6           HA2      GLY   6   1.689   6.948   2.238
   41    HA3  GLY   6           HA3      GLY   6   0.286   6.827   1.181
   42    H    GLN   7           H        GLN   7   0.571   5.260   3.486
   43    HA   GLN   7           HA       GLN   7   1.471   2.631   2.701
   44    HB2  GLN   7           HB2      GLN   7   1.590   3.558   5.083
   45    HB3  GLN   7           HB3      GLN   7  -0.157   3.419   5.123
   46    HG2  GLN   7           HG2      GLN   7  -0.016   1.006   4.872
   47    HG3  GLN   7           HG3      GLN   7   1.739   1.107   4.728
   48   HE21  GLN   7          HE21      GLN   7   0.228  -0.390   6.726
   49   HE22  GLN   7          HE22      GLN   7   0.690   0.260   8.245
   50    H    CYS   8           H        CYS   8   0.249   1.646   1.220
   51    HA   CYS   8           HA       CYS   8  -2.449   2.318   0.737
   52    HB2  CYS   8           HB2      CYS   8  -2.282   0.302  -0.845
   53    HB3  CYS   8           HB3      CYS   8  -1.271   1.706  -1.162
   54    H    GLY   9           H        GLY   9  -1.081  -0.801   1.705
   55    HA2  GLY   9           HA2      GLY   9  -3.070  -1.211   3.647
   56    HA3  GLY   9           HA3      GLY   9  -3.583  -1.958   2.146
   57    H    GLY  10           H        GLY  10  -1.122  -1.882   4.571
   58    HA2  GLY  10           HA2      GLY  10  -0.315  -4.595   3.826
   59    HA3  GLY  10           HA3      GLY  10   0.550  -3.535   4.945
   60    H    ILE  11           H        ILE  11   0.109  -5.901   6.053
   61    HA   ILE  11           HA       ILE  11  -2.453  -6.307   7.137
   62    HB   ILE  11           HB       ILE  11   0.234  -7.237   8.225
   63   HG12  ILE  11          HG12      ILE  11  -1.771  -8.669   6.463
   64   HG13  ILE  11          HG13      ILE  11  -0.246  -7.988   5.918
   65   HG21  ILE  11          HG21      ILE  11  -1.051  -8.968   9.420
   66   HG22  ILE  11          HG22      ILE  11  -2.555  -8.254   8.840
   67   HG23  ILE  11          HG23      ILE  11  -1.521  -7.349   9.944
   68   HD11  ILE  11          HD11      ILE  11  -0.102 -10.398   6.202
   69   HD12  ILE  11          HD12      ILE  11  -0.564 -10.236   7.897
   70   HD13  ILE  11          HD13      ILE  11   0.967  -9.566   7.330
   71    H    GLY  12           H        GLY  12  -3.521  -5.105   8.543
   72    HA2  GLY  12           HA2      GLY  12  -3.623  -4.267  10.803
   73    HA3  GLY  12           HA3      GLY  12  -1.984  -3.671  10.591
   74    H    TYR  13           H        TYR  13  -3.004  -2.932   7.733
   75    HA   TYR  13           HA       TYR  13  -4.006  -0.299   8.570
   76    HB2  TYR  13           HB2      TYR  13  -1.919  -0.458   7.121
   77    HB3  TYR  13           HB3      TYR  13  -2.936  -1.122   5.849
   78    HD1  TYR  13           HD1      TYR  13  -2.018   1.876   7.713
   79    HD2  TYR  13           HD2      TYR  13  -4.528   0.325   4.652
   80    HE1  TYR  13           HE1      TYR  13  -2.545   4.163   6.995
   81    HE2  TYR  13           HE2      TYR  13  -5.061   2.610   3.927
   82    HH   TYR  13           HH       TYR  13  -3.298   5.280   4.962
   83    H    SER  14           H        SER  14  -6.069   0.383   7.895
   84    HA   SER  14           HA       SER  14  -7.519  -1.520   6.219
   85    HB2  SER  14           HB2      SER  14  -9.446  -1.218   7.835
   86    HB3  SER  14           HB3      SER  14  -8.083  -2.185   8.401
   87    HG   SER  14           HG       SER  14  -8.938   0.349   9.160
   88    H    GLY  15           H        GLY  15  -6.488   1.441   6.098
   89    HA2  GLY  15           HA2      GLY  15  -8.953   2.881   5.563
   90    HA3  GLY  15           HA3      GLY  15  -7.321   3.506   5.385
   91    HA   PRO  16           HA       PRO  16  -8.825   2.923   1.076
   92    HB2  PRO  16           HB2      PRO  16  -7.201   4.877   0.006
   93    HB3  PRO  16           HB3      PRO  16  -8.822   5.182   0.632
   94    HG2  PRO  16           HG2      PRO  16  -6.177   5.665   1.902
   95    HG3  PRO  16           HG3      PRO  16  -7.659   6.620   2.007
   96    HD2  PRO  16           HD2      PRO  16  -6.791   4.950   3.981
   97    HD3  PRO  16           HD3      PRO  16  -8.502   5.337   3.722
   98    H    THR  17           H        THR  17  -7.957   1.014   0.578
   99    HA   THR  17           HA       THR  17  -5.135   0.496   0.708
  100    HB   THR  17           HB       THR  17  -6.035  -1.806   0.052
  101    HG1  THR  17           HG1      THR  17  -8.412  -1.714   0.821
  102   HG21  THR  17          HG21      THR  17  -6.821  -2.228   2.336
  103   HG22  THR  17          HG22      THR  17  -7.070  -0.500   2.582
  104   HG23  THR  17          HG23      THR  17  -5.442  -1.129   2.381
  105    H    VAL  18           H        VAL  18  -7.302   1.469  -1.741
  106    HA   VAL  18           HA       VAL  18  -5.669   0.262  -3.828
  107    HB   VAL  18           HB       VAL  18  -8.103   2.070  -4.103
  108   HG11  VAL  18          HG11      VAL  18  -6.661   2.144  -6.085
  109   HG12  VAL  18          HG12      VAL  18  -8.174   1.310  -6.432
  110   HG13  VAL  18          HG13      VAL  18  -6.697   0.384  -6.180
  111   HG21  VAL  18          HG21      VAL  18  -9.300  -0.001  -4.715
  112   HG22  VAL  18          HG22      VAL  18  -8.709   0.002  -3.052
  113   HG23  VAL  18          HG23      VAL  18  -7.856  -0.924  -4.286
  114    H    CYS  19           H        CYS  19  -4.158   1.346  -4.883
  115    HA   CYS  19           HA       CYS  19  -3.406   3.912  -3.859
  116    HB2  CYS  19           HB2      CYS  19  -2.150   2.132  -5.928
  117    HB3  CYS  19           HB3      CYS  19  -1.456   3.652  -5.365
  118    H    ALA  20           H        ALA  20  -2.775   5.649  -5.248
  119    HA   ALA  20           HA       ALA  20  -4.814   6.581  -6.897
  120    HB1  ALA  20           HB1      ALA  20  -3.325   8.419  -7.415
  121    HB2  ALA  20           HB2      ALA  20  -1.946   7.497  -6.824
  122    HB3  ALA  20           HB3      ALA  20  -3.188   8.031  -5.698
  123    H    SER  21           H        SER  21  -4.823   7.058  -9.089
  124    HA   SER  21           HA       SER  21  -4.242   4.913 -10.730
  125    HB2  SER  21           HB2      SER  21  -4.740   7.784 -11.497
  126    HB3  SER  21           HB3      SER  21  -5.093   6.340 -12.464
  127    HG   SER  21           HG       SER  21  -6.303   5.786 -10.365
  128    H    GLY  22           H        GLY  22  -2.300   4.263 -11.315
  129    HA2  GLY  22           HA2      GLY  22  -0.396   4.672 -12.740
  130    HA3  GLY  22           HA3      GLY  22  -0.286   6.276 -12.018
  131    H    THR  23           H        THR  23  -1.004   4.742  -9.414
  132    HA   THR  23           HA       THR  23   1.764   3.954  -8.904
  133    HB   THR  23           HB       THR  23   1.373   4.524  -6.512
  134    HG1  THR  23           HG1      THR  23  -1.198   4.938  -7.485
  135   HG21  THR  23          HG21      THR  23   2.353   6.203  -7.992
  136   HG22  THR  23          HG22      THR  23   1.326   6.960  -6.773
  137   HG23  THR  23          HG23      THR  23   0.740   6.772  -8.426
  138    H    THR  24           H        THR  24   2.141   2.087  -7.631
  139    HA   THR  24           HA       THR  24  -0.200   0.344  -7.430
  140    HB   THR  24           HB       THR  24   1.437  -1.567  -7.719
  141    HG1  THR  24           HG1      THR  24   3.245   0.503  -7.828
  142   HG21  THR  24          HG21      THR  24   1.515  -1.364 -10.172
  143   HG22  THR  24          HG22      THR  24   1.100   0.346 -10.032
  144   HG23  THR  24          HG23      THR  24  -0.054  -0.885  -9.523
  145    H    CYS  25           H        CYS  25  -0.327  -1.048  -5.648
  146    HA   CYS  25           HA       CYS  25   0.914  -0.008  -3.278
  147    HB2  CYS  25           HB2      CYS  25  -1.459  -0.734  -3.216
  148    HB3  CYS  25           HB3      CYS  25  -0.974  -2.366  -3.668
  149    H    GLN  26           H        GLN  26   3.013  -0.479  -3.123
  150    HA   GLN  26           HA       GLN  26   3.859  -3.158  -3.833
  151    HB2  GLN  26           HB2      GLN  26   5.510  -0.697  -3.256
  152    HB3  GLN  26           HB3      GLN  26   6.159  -2.264  -3.720
  153    HG2  GLN  26           HG2      GLN  26   4.832  -2.083  -5.841
  154    HG3  GLN  26           HG3      GLN  26   4.448  -0.425  -5.379
  155   HE21  GLN  26          HE21      GLN  26   5.506   0.490  -7.104
  156   HE22  GLN  26          HE22      GLN  26   7.221   0.466  -7.253
  157    H    VAL  27           H        VAL  27   4.531  -4.554  -2.414
  158    HA   VAL  27           HA       VAL  27   4.038  -3.953   0.370
  159    HB   VAL  27           HB       VAL  27   4.857  -6.587  -0.882
  160   HG11  VAL  27          HG11      VAL  27   3.863  -7.601   1.122
  161   HG12  VAL  27          HG12      VAL  27   3.551  -5.990   1.764
  162   HG13  VAL  27          HG13      VAL  27   5.210  -6.530   1.509
  163   HG21  VAL  27          HG21      VAL  27   2.809  -5.864  -1.930
  164   HG22  VAL  27          HG22      VAL  27   2.089  -5.518  -0.365
  165   HG23  VAL  27          HG23      VAL  27   2.449  -7.186  -0.817
  166    H    LEU  28           H        LEU  28   5.736  -2.798   1.138
  167    HA   LEU  28           HA       LEU  28   8.452  -3.532   0.486
  168    HB2  LEU  28           HB2      LEU  28   7.471  -1.567   2.561
  169    HB3  LEU  28           HB3      LEU  28   9.112  -1.710   1.978
  170    HG   LEU  28           HG       LEU  28   6.721  -0.689   0.439
  171   HD11  LEU  28          HD11      LEU  28   7.940   1.409   0.404
  172   HD12  LEU  28          HD12      LEU  28   9.255   0.667   1.313
  173   HD13  LEU  28          HD13      LEU  28   7.675   0.860   2.062
  174   HD21  LEU  28          HD21      LEU  28   9.562  -1.059  -0.498
  175   HD22  LEU  28          HD22      LEU  28   8.288  -0.204  -1.366
  176   HD23  LEU  28          HD23      LEU  28   8.146  -1.943  -1.086
  177    H    ASN  29           H        ASN  29   6.274  -3.679   3.217
  178    HA   ASN  29           HA       ASN  29   7.870  -5.819   4.414
  179    HB2  ASN  29           HB2      ASN  29   6.596  -3.483   5.903
  180    HB3  ASN  29           HB3      ASN  29   7.261  -4.920   6.661
  181   HD21  ASN  29          HD21      ASN  29   7.939  -2.179   7.090
  182   HD22  ASN  29          HD22      ASN  29   9.616  -2.012   6.725
  183    HA   PRO  30           HA       PRO  30   3.887  -7.833   4.659
  184    HB2  PRO  30           HB2      PRO  30   4.232  -8.104   7.610
  185    HB3  PRO  30           HB3      PRO  30   3.879  -9.353   6.412
  186    HG2  PRO  30           HG2      PRO  30   6.306  -9.189   7.437
  187    HG3  PRO  30           HG3      PRO  30   6.104  -9.467   5.694
  188    HD2  PRO  30           HD2      PRO  30   6.785  -6.939   7.142
  189    HD3  PRO  30           HD3      PRO  30   7.490  -7.579   5.647
  190    H    TYR  31           H        TYR  31   4.555  -5.378   7.098
  191    HA   TYR  31           HA       TYR  31   1.658  -4.909   7.332
  192    HB2  TYR  31           HB2      TYR  31   3.854  -3.788   9.082
  193    HB3  TYR  31           HB3      TYR  31   2.124  -3.786   9.408
  194    HD1  TYR  31           HD1      TYR  31   5.197  -5.557   9.827
  195    HD2  TYR  31           HD2      TYR  31   0.988  -6.062   9.690
  196    HE1  TYR  31           HE1      TYR  31   5.430  -7.739  10.940
  197    HE2  TYR  31           HE2      TYR  31   1.204  -8.242  10.801
  198    HH   TYR  31           HH       TYR  31   3.950  -9.248  12.357
  199    H    TYR  32           H        TYR  32   4.667  -3.437   6.274
  200    HA   TYR  32           HA       TYR  32   3.162  -1.013   5.703
  201    HB2  TYR  32           HB2      TYR  32   5.323  -0.681   6.949
  202    HB3  TYR  32           HB3      TYR  32   6.174  -1.289   5.535
  203    HD1  TYR  32           HD1      TYR  32   6.648   0.138   3.713
  204    HD2  TYR  32           HD2      TYR  32   3.914   1.398   6.707
  205    HE1  TYR  32           HE1      TYR  32   6.585   2.386   2.707
  206    HE2  TYR  32           HE2      TYR  32   3.849   3.642   5.721
  207    HH   TYR  32           HH       TYR  32   5.213   5.051   4.312
  208    H    SER  33           H        SER  33   2.340  -0.871   3.827
  209    HA   SER  33           HA       SER  33   3.866  -1.810   1.528
  210    HB2  SER  33           HB2      SER  33   0.859  -1.815   1.934
  211    HB3  SER  33           HB3      SER  33   1.692  -2.385   0.491
  212    HG   SER  33           HG       SER  33   2.774  -3.625   2.574
  213    H    GLN  34           H        GLN  34   3.922  -0.261  -0.170
  214    HA   GLN  34           HA       GLN  34   2.791   2.345   0.590
  215    HB2  GLN  34           HB2      GLN  34   5.167   2.207   1.196
  216    HB3  GLN  34           HB3      GLN  34   5.572   1.820  -0.466
  217    HG2  GLN  34           HG2      GLN  34   4.794   3.994  -1.177
  218    HG3  GLN  34           HG3      GLN  34   4.313   4.385   0.475
  219   HE21  GLN  34          HE21      GLN  34   5.934   4.800   2.002
  220   HE22  GLN  34          HE22      GLN  34   7.543   5.194   1.508
  221    H    CYS  35           H        CYS  35   1.997   3.554  -1.029
  222    HA   CYS  35           HA       CYS  35   1.575   2.331  -3.577
  223    HB2  CYS  35           HB2      CYS  35   0.856   5.073  -2.564
  224    HB3  CYS  35           HB3      CYS  35   0.411   4.463  -4.150
  225    H    LEU  36           H        LEU  36   3.205   2.148  -4.832
  226    HA   LEU  36           HA       LEU  36   4.639   4.536  -5.672
  227    HB2  LEU  36           HB2      LEU  36   5.766   1.767  -5.238
  228    HB3  LEU  36           HB3      LEU  36   6.621   3.072  -6.026
  229    HG   LEU  36           HG       LEU  36   5.729   3.094  -3.145
  230   HD11  LEU  36          HD11      LEU  36   8.456   2.628  -4.348
  231   HD12  LEU  36          HD12      LEU  36   7.449   1.418  -3.549
  232   HD13  LEU  36          HD13      LEU  36   8.089   2.781  -2.628
  233   HD21  LEU  36          HD21      LEU  36   5.890   5.326  -4.126
  234   HD22  LEU  36          HD22      LEU  36   7.513   4.960  -4.708
  235   HD23  LEU  36          HD23      LEU  36   7.195   5.046  -2.978
  236    H1   MAN 101           H1       MAN 101  -5.257   7.856  -5.525
  237    H2   MAN 101           H2       MAN 101  -5.986  10.009  -4.516
  238    H3   MAN 101           H3       MAN 101  -8.326   9.998  -5.241
  239    H4   MAN 101           H4       MAN 101  -7.067  10.244  -7.991
  240    H5   MAN 101           H5       MAN 101  -8.720   8.023  -6.647
  241    H61  MAN 101           H61      MAN 101  -8.198   6.760  -8.744
  242    H62  MAN 101           H62      MAN 101  -7.657   8.263  -9.519
  243    HO2  MAN 101           HO2      MAN 101  -5.325  11.224  -6.297
  244    HO3  MAN 101           HO3      MAN 101  -8.237  12.135  -6.227
  245    HO4  MAN 101           HO4      MAN 101  -9.801  10.287  -7.139
  246    HO6  MAN 101           HO6      MAN 101  -9.757   9.085  -9.354
  Start of MODEL   16
    1    H1   THR   1           H1       THR   1  -9.319   7.755  -3.010
    2    H2   THR   1           H2       THR   1  -8.095   8.831  -2.539
    3    H3   THR   1           H3       THR   1  -8.701   7.754  -1.423
    4    HA   THR   1           HA       THR   1  -7.736   5.922  -2.650
    5    HB   THR   1           HB       THR   1  -6.068   6.555  -4.402
    6   HG21  THR   1          HG21      THR   1  -8.312   5.682  -5.001
    7   HG22  THR   1          HG22      THR   1  -7.752   6.826  -6.206
    8   HG23  THR   1          HG23      THR   1  -8.949   7.324  -5.009
    9    H    GLN   2           H        GLN   2  -5.353   5.466  -2.446
   10    HA   GLN   2           HA       GLN   2  -4.177   7.136  -0.378
   11    HB2  GLN   2           HB2      GLN   2  -4.213   4.568  -0.283
   12    HB3  GLN   2           HB3      GLN   2  -3.040   4.605  -1.591
   13    HG2  GLN   2           HG2      GLN   2  -1.795   4.382   0.409
   14    HG3  GLN   2           HG3      GLN   2  -1.595   6.038  -0.149
   15   HE21  GLN   2          HE21      GLN   2  -4.424   4.724   1.499
   16   HE22  GLN   2          HE22      GLN   2  -4.267   5.690   2.905
   17    H    SER   3           H        SER   3  -2.333   8.369  -0.768
   18    HA   SER   3           HA       SER   3  -1.794   9.013  -3.503
   19    HB2  SER   3           HB2      SER   3  -0.532  10.049  -0.964
   20    HB3  SER   3           HB3      SER   3  -0.514  10.818  -2.553
   21    HG   SER   3           HG       SER   3  -2.731  11.073  -2.420
   22    H    HIS   4           H        HIS   4   0.532   9.370  -4.116
   23    HA   HIS   4           HA       HIS   4   2.015   6.967  -4.141
   24    HB2  HIS   4           HB2      HIS   4   1.964   8.816  -5.886
   25    HB3  HIS   4           HB3      HIS   4   2.924   9.789  -4.792
   26    HD1  HIS   4           HD1      HIS   4   5.075   9.965  -6.025
   27    HD2  HIS   4           HD2      HIS   4   3.670   6.071  -5.905
   28    HE1  HIS   4           HE1      HIS   4   6.832   8.584  -7.160
   29    HE2  HIS   4           HE2      HIS   4   5.751   6.364  -7.410
   30    H    TYR   5           H        TYR   5   3.731   6.345  -2.851
   31    HA   TYR   5           HA       TYR   5   5.102   6.178  -1.105
   32    HB2  TYR   5           HB2      TYR   5   5.031   9.208  -1.080
   33    HB3  TYR   5           HB3      TYR   5   5.989   8.268   0.052
   34    HD1  TYR   5           HD1      TYR   5   7.796   6.767  -0.864
   35    HD2  TYR   5           HD2      TYR   5   5.833   9.682  -3.232
   36    HE1  TYR   5           HE1      TYR   5   9.657   6.699  -2.467
   37    HE2  TYR   5           HE2      TYR   5   7.679   9.627  -4.846
   38    HH   TYR   5           HH       TYR   5  10.070   7.197  -4.779
   39    H    GLY   6           H        GLY   6   2.065   6.673  -0.896
   40    HA2  GLY   6           HA2      GLY   6   1.915   7.092   1.971
   41    HA3  GLY   6           HA3      GLY   6   0.559   6.950   0.856
   42    H    GLN   7           H        GLN   7   0.875   5.514   3.283
   43    HA   GLN   7           HA       GLN   7   1.617   2.826   2.577
   44    HB2  GLN   7           HB2      GLN   7   1.898   3.532   4.902
   45    HB3  GLN   7           HB3      GLN   7   0.191   3.921   5.015
   46    HG2  GLN   7           HG2      GLN   7  -0.323   1.507   4.634
   47    HG3  GLN   7           HG3      GLN   7   1.405   1.177   4.723
   48   HE21  GLN   7          HE21      GLN   7   1.034  -0.193   6.603
   49   HE22  GLN   7          HE22      GLN   7   0.645   0.515   8.097
   50    H    CYS   8           H        CYS   8   0.383   1.955   1.060
   51    HA   CYS   8           HA       CYS   8  -2.365   2.466   0.672
   52    HB2  CYS   8           HB2      CYS   8  -2.216   0.400  -0.795
   53    HB3  CYS   8           HB3      CYS   8  -1.168   1.749  -1.214
   54    H    GLY   9           H        GLY   9  -0.671  -0.291   2.085
   55    HA2  GLY   9           HA2      GLY   9  -2.197  -0.662   4.225
   56    HA3  GLY   9           HA3      GLY   9  -3.223  -1.317   2.959
   57    H    GLY  10           H        GLY  10  -0.758  -1.861   5.119
   58    HA2  GLY  10           HA2      GLY  10  -0.049  -4.377   3.844
   59    HA3  GLY  10           HA3      GLY  10   0.797  -3.647   5.206
   60    H    ILE  11           H        ILE  11   0.475  -5.754   6.261
   61    HA   ILE  11           HA       ILE  11  -2.039  -6.838   6.778
   62    HB   ILE  11           HB       ILE  11   0.494  -7.069   8.435
   63   HG12  ILE  11          HG12      ILE  11  -0.695  -8.923   6.352
   64   HG13  ILE  11          HG13      ILE  11   0.693  -7.870   6.104
   65   HG21  ILE  11          HG21      ILE  11  -2.010  -8.761   8.542
   66   HG22  ILE  11          HG22      ILE  11  -1.441  -7.652   9.791
   67   HG23  ILE  11          HG23      ILE  11  -0.504  -9.096   9.403
   68   HD11  ILE  11          HD11      ILE  11   1.944  -9.138   7.782
   69   HD12  ILE  11          HD12      ILE  11   1.372 -10.175   6.474
   70   HD13  ILE  11          HD13      ILE  11   0.546 -10.184   8.031
   71    H    GLY  12           H        GLY  12  -3.679  -6.148   7.972
   72    HA2  GLY  12           HA2      GLY  12  -4.643  -5.481  10.035
   73    HA3  GLY  12           HA3      GLY  12  -3.149  -4.657  10.435
   74    H    TYR  13           H        TYR  13  -3.319  -3.575   7.536
   75    HA   TYR  13           HA       TYR  13  -4.619  -1.136   8.380
   76    HB2  TYR  13           HB2      TYR  13  -2.417  -1.167   7.171
   77    HB3  TYR  13           HB3      TYR  13  -3.259  -1.777   5.755
   78    HD1  TYR  13           HD1      TYR  13  -2.322   1.093   7.680
   79    HD2  TYR  13           HD2      TYR  13  -4.935  -0.231   4.608
   80    HE1  TYR  13           HE1      TYR  13  -2.637   3.407   6.952
   81    HE2  TYR  13           HE2      TYR  13  -5.256   2.095   3.874
   82    HH   TYR  13           HH       TYR  13  -3.224   4.533   4.856
   83    H    SER  14           H        SER  14  -6.756  -0.982   8.179
   84    HA   SER  14           HA       SER  14  -8.106  -2.358   5.990
   85    HB2  SER  14           HB2      SER  14 -10.103  -1.979   7.578
   86    HB3  SER  14           HB3      SER  14  -8.896  -3.188   8.035
   87    HG   SER  14           HG       SER  14  -9.437  -0.680   9.172
   88    H    GLY  15           H        GLY  15  -6.835   0.475   6.315
   89    HA2  GLY  15           HA2      GLY  15  -9.087   2.236   5.838
   90    HA3  GLY  15           HA3      GLY  15  -7.391   2.687   5.850
   91    HA   PRO  16           HA       PRO  16  -8.797   2.834   1.485
   92    HB2  PRO  16           HB2      PRO  16  -7.271   4.985   0.769
   93    HB3  PRO  16           HB3      PRO  16  -8.889   5.123   1.465
   94    HG2  PRO  16           HG2      PRO  16  -6.231   5.452   2.771
   95    HG3  PRO  16           HG3      PRO  16  -7.740   6.341   3.034
   96    HD2  PRO  16           HD2      PRO  16  -6.820   4.368   4.688
   97    HD3  PRO  16           HD3      PRO  16  -8.539   4.785   4.515
   98    H    THR  17           H        THR  17  -7.852   1.034   0.772
   99    HA   THR  17           HA       THR  17  -4.992   0.730   0.646
  100    HB   THR  17           HB       THR  17  -5.693  -1.577  -0.194
  101    HG1  THR  17           HG1      THR  17  -7.749  -1.469  -0.791
  102   HG21  THR  17          HG21      THR  17  -6.682  -0.694   2.527
  103   HG22  THR  17          HG22      THR  17  -5.019  -1.116   2.135
  104   HG23  THR  17          HG23      THR  17  -6.278  -2.349   2.062
  105    H    VAL  18           H        VAL  18  -7.309   1.996  -1.390
  106    HA   VAL  18           HA       VAL  18  -6.173   0.918  -3.841
  107    HB   VAL  18           HB       VAL  18  -8.310   3.030  -3.550
  108   HG11  VAL  18          HG11      VAL  18  -7.589   1.278  -5.886
  109   HG12  VAL  18          HG12      VAL  18  -7.299   3.012  -5.742
  110   HG13  VAL  18          HG13      VAL  18  -8.951   2.400  -5.833
  111   HG21  VAL  18          HG21      VAL  18  -9.961   1.247  -3.921
  112   HG22  VAL  18          HG22      VAL  18  -9.054   1.006  -2.424
  113   HG23  VAL  18          HG23      VAL  18  -8.670   0.049  -3.852
  114    H    CYS  19           H        CYS  19  -4.339   1.807  -4.508
  115    HA   CYS  19           HA       CYS  19  -3.504   4.420  -3.726
  116    HB2  CYS  19           HB2      CYS  19  -2.329   2.524  -5.761
  117    HB3  CYS  19           HB3      CYS  19  -1.553   3.973  -5.147
  118    H    ALA  20           H        ALA  20  -2.686   5.956  -5.362
  119    HA   ALA  20           HA       ALA  20  -4.643   6.939  -7.081
  120    HB1  ALA  20           HB1      ALA  20  -2.885   8.415  -7.904
  121    HB2  ALA  20           HB2      ALA  20  -1.656   7.377  -7.182
  122    HB3  ALA  20           HB3      ALA  20  -2.767   8.269  -6.148
  123    H    SER  21           H        SER  21  -4.947   6.739  -9.280
  124    HA   SER  21           HA       SER  21  -4.332   4.304 -10.454
  125    HB2  SER  21           HB2      SER  21  -5.138   6.886 -11.795
  126    HB3  SER  21           HB3      SER  21  -5.451   5.238 -12.356
  127    HG   SER  21           HG       SER  21  -7.217   6.293 -11.265
  128    H    GLY  22           H        GLY  22  -2.468   3.666 -11.320
  129    HA2  GLY  22           HA2      GLY  22  -0.676   4.060 -12.907
  130    HA3  GLY  22           HA3      GLY  22  -0.611   5.717 -12.305
  131    H    THR  23           H        THR  23  -1.028   4.594  -9.522
  132    HA   THR  23           HA       THR  23   1.746   3.731  -9.110
  133    HB   THR  23           HB       THR  23   1.488   4.425  -6.740
  134    HG1  THR  23           HG1      THR  23  -1.154   4.787  -7.536
  135   HG21  THR  23          HG21      THR  23   1.349   6.828  -7.037
  136   HG22  THR  23          HG22      THR  23   0.688   6.604  -8.665
  137   HG23  THR  23          HG23      THR  23   2.335   6.080  -8.292
  138    H    THR  24           H        THR  24   2.107   1.893  -7.755
  139    HA   THR  24           HA       THR  24  -0.312   0.271  -7.450
  140    HB   THR  24           HB       THR  24   1.160  -1.722  -7.785
  141    HG1  THR  24           HG1      THR  24   3.097   0.258  -7.909
  142   HG21  THR  24          HG21      THR  24   1.073   0.255 -10.067
  143   HG22  THR  24          HG22      THR  24  -0.205  -0.877  -9.627
  144   HG23  THR  24          HG23      THR  24   1.343  -1.478 -10.226
  145    H    CYS  25           H        CYS  25  -0.626  -0.728  -5.554
  146    HA   CYS  25           HA       CYS  25   0.925   0.017  -3.294
  147    HB2  CYS  25           HB2      CYS  25  -1.484  -0.510  -3.098
  148    HB3  CYS  25           HB3      CYS  25  -1.157  -2.160  -3.616
  149    H    GLN  26           H        GLN  26   2.895  -0.727  -3.009
  150    HA   GLN  26           HA       GLN  26   3.437  -3.493  -3.730
  151    HB2  GLN  26           HB2      GLN  26   5.205  -1.068  -3.807
  152    HB3  GLN  26           HB3      GLN  26   5.873  -2.697  -3.792
  153    HG2  GLN  26           HG2      GLN  26   4.679  -3.240  -5.836
  154    HG3  GLN  26           HG3      GLN  26   3.923  -1.654  -5.831
  155   HE21  GLN  26          HE21      GLN  26   5.022   0.073  -6.618
  156   HE22  GLN  26          HE22      GLN  26   6.573  -0.033  -7.332
  157    H    VAL  27           H        VAL  27   4.315  -4.826  -2.333
  158    HA   VAL  27           HA       VAL  27   4.040  -4.072   0.438
  159    HB   VAL  27           HB       VAL  27   4.777  -6.765  -0.735
  160   HG11  VAL  27          HG11      VAL  27   4.020  -7.673   1.420
  161   HG12  VAL  27          HG12      VAL  27   3.757  -6.031   2.011
  162   HG13  VAL  27          HG13      VAL  27   5.387  -6.572   1.607
  163   HG21  VAL  27          HG21      VAL  27   2.079  -5.697   0.070
  164   HG22  VAL  27          HG22      VAL  27   2.409  -7.368  -0.386
  165   HG23  VAL  27          HG23      VAL  27   2.607  -6.073  -1.569
  166    H    LEU  28           H        LEU  28   5.741  -2.837   0.983
  167    HA   LEU  28           HA       LEU  28   8.459  -3.612   0.392
  168    HB2  LEU  28           HB2      LEU  28   7.413  -1.577   2.373
  169    HB3  LEU  28           HB3      LEU  28   9.075  -1.750   1.863
  170    HG   LEU  28           HG       LEU  28   6.779  -0.829   0.121
  171   HD11  LEU  28          HD11      LEU  28   9.128   0.652   1.287
  172   HD12  LEU  28          HD12      LEU  28   7.449   0.776   1.800
  173   HD13  LEU  28          HD13      LEU  28   7.919   1.319   0.187
  174   HD21  LEU  28          HD21      LEU  28   8.452  -2.032  -1.175
  175   HD22  LEU  28          HD22      LEU  28   9.714  -1.025  -0.429
  176   HD23  LEU  28          HD23      LEU  28   8.508  -0.285  -1.484
  177    H    ASN  29           H        ASN  29   6.476  -3.289   3.282
  178    HA   ASN  29           HA       ASN  29   8.070  -5.351   4.629
  179    HB2  ASN  29           HB2      ASN  29   6.732  -2.887   5.800
  180    HB3  ASN  29           HB3      ASN  29   7.508  -4.152   6.730
  181   HD21  ASN  29          HD21      ASN  29   8.031  -1.291   6.598
  182   HD22  ASN  29          HD22      ASN  29   9.686  -1.139   6.164
  183    HA   PRO  30           HA       PRO  30   4.192  -7.473   5.300
  184    HB2  PRO  30           HB2      PRO  30   4.511  -7.184   8.243
  185    HB3  PRO  30           HB3      PRO  30   4.233  -8.642   7.287
  186    HG2  PRO  30           HG2      PRO  30   6.630  -8.148   8.284
  187    HG3  PRO  30           HG3      PRO  30   6.471  -8.794   6.638
  188    HD2  PRO  30           HD2      PRO  30   7.052  -6.013   7.547
  189    HD3  PRO  30           HD3      PRO  30   7.751  -6.919   6.186
  190    H    TYR  31           H        TYR  31   4.609  -4.761   7.601
  191    HA   TYR  31           HA       TYR  31   1.716  -4.398   7.479
  192    HB2  TYR  31           HB2      TYR  31   3.717  -3.113   9.357
  193    HB3  TYR  31           HB3      TYR  31   1.967  -3.000   9.452
  194    HD1  TYR  31           HD1      TYR  31   4.876  -5.071  10.181
  195    HD2  TYR  31           HD2      TYR  31   0.636  -4.973  10.056
  196    HE1  TYR  31           HE1      TYR  31   4.786  -7.111  11.556
  197    HE2  TYR  31           HE2      TYR  31   0.530  -6.980  11.417
  198    HH   TYR  31           HH       TYR  31   1.805  -8.807  12.028
  199    H    TYR  32           H        TYR  32   4.713  -2.954   6.521
  200    HA   TYR  32           HA       TYR  32   3.229  -0.586   5.700
  201    HB2  TYR  32           HB2      TYR  32   5.350  -0.204   6.976
  202    HB3  TYR  32           HB3      TYR  32   6.231  -0.948   5.647
  203    HD1  TYR  32           HD1      TYR  32   6.904   0.341   3.767
  204    HD2  TYR  32           HD2      TYR  32   3.951   1.867   6.436
  205    HE1  TYR  32           HE1      TYR  32   6.952   2.493   2.599
  206    HE2  TYR  32           HE2      TYR  32   4.007   4.020   5.271
  207    HH   TYR  32           HH       TYR  32   5.523   5.309   3.846
  208    H    SER  33           H        SER  33   2.431  -0.633   3.815
  209    HA   SER  33           HA       SER  33   3.964  -1.748   1.608
  210    HB2  SER  33           HB2      SER  33   0.961  -1.710   2.052
  211    HB3  SER  33           HB3      SER  33   1.736  -2.348   0.612
  212    HG   SER  33           HG       SER  33   2.857  -3.488   2.750
  213    H    GLN  34           H        GLN  34   3.982  -0.326  -0.210
  214    HA   GLN  34           HA       GLN  34   2.990   2.360   0.452
  215    HB2  GLN  34           HB2      GLN  34   5.375   2.158   0.969
  216    HB3  GLN  34           HB3      GLN  34   5.691   1.627  -0.673
  217    HG2  GLN  34           HG2      GLN  34   5.042   3.786  -1.526
  218    HG3  GLN  34           HG3      GLN  34   4.612   4.327   0.098
  219   HE21  GLN  34          HE21      GLN  34   6.278   4.739   1.583
  220   HE22  GLN  34          HE22      GLN  34   7.889   5.021   1.061
  221    H    CYS  35           H        CYS  35   2.190   3.528  -1.196
  222    HA   CYS  35           HA       CYS  35   1.633   2.225  -3.694
  223    HB2  CYS  35           HB2      CYS  35   1.141   5.071  -2.827
  224    HB3  CYS  35           HB3      CYS  35   0.513   4.353  -4.301
  225    H    LEU  36           H        LEU  36   3.189   2.008  -5.078
  226    HA   LEU  36           HA       LEU  36   4.743   4.335  -5.879
  227    HB2  LEU  36           HB2      LEU  36   5.713   1.499  -5.518
  228    HB3  LEU  36           HB3      LEU  36   6.611   2.726  -6.383
  229    HG   LEU  36           HG       LEU  36   5.893   2.864  -3.455
  230   HD11  LEU  36          HD11      LEU  36   8.517   2.204  -4.795
  231   HD12  LEU  36          HD12      LEU  36   7.484   1.073  -3.914
  232   HD13  LEU  36          HD13      LEU  36   8.252   2.409  -3.063
  233   HD21  LEU  36          HD21      LEU  36   7.504   4.717  -3.420
  234   HD22  LEU  36          HD22      LEU  36   6.138   5.065  -4.473
  235   HD23  LEU  36          HD23      LEU  36   7.689   4.586  -5.169
  236    H1   MAN 101           H1       MAN 101  -4.902   8.169  -5.397
  237    H2   MAN 101           H2       MAN 101  -4.881  10.421  -4.274
  238    H3   MAN 101           H3       MAN 101  -7.074  11.236  -4.883
  239    H4   MAN 101           H4       MAN 101  -5.994  11.148  -7.735
  240    H5   MAN 101           H5       MAN 101  -8.197   9.541  -6.330
  241    H61  MAN 101           H61      MAN 101  -7.140   9.459  -9.178
  242    H62  MAN 101           H62      MAN 101  -8.771   9.985  -8.697
  243    HO2  MAN 101           HO2      MAN 101  -4.384  10.298  -7.097
  244    HO3  MAN 101           HO3      MAN 101  -4.985  12.605  -6.283
  245    HO4  MAN 101           HO4      MAN 101  -7.360  12.904  -7.210
  246    HO6  MAN 101           HO6      MAN 101  -7.719   7.410  -8.014
  Start of MODEL   17
    1    H1   THR   1           H1       THR   1  -8.665   6.742  -1.570
    2    H2   THR   1           H2       THR   1  -9.345   7.057  -3.079
    3    H3   THR   1           H3       THR   1  -8.352   8.209  -2.314
    4    HA   THR   1           HA       THR   1  -7.415   5.575  -3.204
    5    HB   THR   1           HB       THR   1  -6.093   6.901  -4.841
    6   HG21  THR   1          HG21      THR   1  -9.105   7.235  -5.092
    7   HG22  THR   1          HG22      THR   1  -8.201   5.798  -5.568
    8   HG23  THR   1          HG23      THR   1  -7.978   7.324  -6.436
    9    H    GLN   2           H        GLN   2  -5.321   5.150  -2.564
   10    HA   GLN   2           HA       GLN   2  -4.171   6.994  -0.646
   11    HB2  GLN   2           HB2      GLN   2  -4.282   4.563  -0.109
   12    HB3  GLN   2           HB3      GLN   2  -3.261   4.233  -1.501
   13    HG2  GLN   2           HG2      GLN   2  -1.987   4.208   0.574
   14    HG3  GLN   2           HG3      GLN   2  -1.451   5.495  -0.502
   15   HE21  GLN   2          HE21      GLN   2  -3.002   4.727   2.445
   16   HE22  GLN   2          HE22      GLN   2  -3.043   6.314   3.120
   17    H    SER   3           H        SER   3  -2.487   8.219  -1.121
   18    HA   SER   3           HA       SER   3  -1.783   8.450  -3.894
   19    HB2  SER   3           HB2      SER   3  -0.956  10.102  -1.510
   20    HB3  SER   3           HB3      SER   3  -0.801  10.554  -3.212
   21    HG   SER   3           HG       SER   3  -3.058  10.402  -3.388
   22    H    HIS   4           H        HIS   4   0.560   9.063  -4.325
   23    HA   HIS   4           HA       HIS   4   2.225   6.833  -4.050
   24    HB2  HIS   4           HB2      HIS   4   2.286   8.602  -5.838
   25    HB3  HIS   4           HB3      HIS   4   3.025   9.685  -4.672
   26    HD1  HIS   4           HD1      HIS   4   5.446   9.884  -5.218
   27    HD2  HIS   4           HD2      HIS   4   4.028   6.039  -5.831
   28    HE1  HIS   4           HE1      HIS   4   7.414   8.556  -6.022
   29    HE2  HIS   4           HE2      HIS   4   6.487   6.333  -6.610
   30    H    TYR   5           H        TYR   5   3.573   6.231  -2.482
   31    HA   TYR   5           HA       TYR   5   4.806   6.151  -0.642
   32    HB2  TYR   5           HB2      TYR   5   4.875   9.121  -0.941
   33    HB3  TYR   5           HB3      TYR   5   5.380   8.426   0.597
   34    HD1  TYR   5           HD1      TYR   5   6.027   8.254  -3.058
   35    HD2  TYR   5           HD2      TYR   5   7.538   7.606   0.849
   36    HE1  TYR   5           HE1      TYR   5   8.248   7.817  -3.996
   37    HE2  TYR   5           HE2      TYR   5   9.770   7.164  -0.076
   38    HH   TYR   5           HH       TYR   5  10.535   7.900  -3.302
   39    H    GLY   6           H        GLY   6   1.768   6.589  -0.724
   40    HA2  GLY   6           HA2      GLY   6   1.420   6.894   2.147
   41    HA3  GLY   6           HA3      GLY   6   0.139   6.778   0.937
   42    H    GLN   7           H        GLN   7   0.212   5.211   3.262
   43    HA   GLN   7           HA       GLN   7   1.196   2.594   2.520
   44    HB2  GLN   7           HB2      GLN   7   1.256   3.515   4.865
   45    HB3  GLN   7           HB3      GLN   7  -0.501   3.394   4.868
   46    HG2  GLN   7           HG2      GLN   7  -0.386   0.998   4.674
   47    HG3  GLN   7           HG3      GLN   7   1.374   1.066   4.536
   48   HE21  GLN   7          HE21      GLN   7  -0.197  -0.316   6.554
   49   HE22  GLN   7          HE22      GLN   7   0.246   0.388   8.060
   50    H    CYS   8           H        CYS   8   0.054   1.403   1.203
   51    HA   CYS   8           HA       CYS   8  -2.708   1.978   0.688
   52    HB2  CYS   8           HB2      CYS   8  -2.418   0.008  -0.939
   53    HB3  CYS   8           HB3      CYS   8  -1.527   1.496  -1.250
   54    H    GLY   9           H        GLY   9  -1.086  -1.075   1.685
   55    HA2  GLY   9           HA2      GLY   9  -3.160  -1.582   3.565
   56    HA3  GLY   9           HA3      GLY   9  -3.444  -2.472   2.084
   57    H    GLY  10           H        GLY  10  -1.179  -1.913   4.659
   58    HA2  GLY  10           HA2      GLY  10   0.081  -4.505   4.151
   59    HA3  GLY  10           HA3      GLY  10   0.705  -3.249   5.219
   60    H    ILE  11           H        ILE  11   0.709  -5.498   6.493
   61    HA   ILE  11           HA       ILE  11  -1.686  -6.415   7.564
   62    HB   ILE  11           HB       ILE  11   1.093  -6.519   8.790
   63   HG12  ILE  11          HG12      ILE  11  -0.515  -8.609   7.298
   64   HG13  ILE  11          HG13      ILE  11   0.828  -7.684   6.637
   65   HG21  ILE  11          HG21      ILE  11  -1.398  -8.019   9.631
   66   HG22  ILE  11          HG22      ILE  11  -0.572  -6.769  10.555
   67   HG23  ILE  11          HG23      ILE  11   0.232  -8.310  10.240
   68   HD11  ILE  11          HD11      ILE  11   2.338  -8.730   8.246
   69   HD12  ILE  11          HD12      ILE  11   1.513  -9.930   7.252
   70   HD13  ILE  11          HD13      ILE  11   0.987  -9.650   8.913
   71    H    GLY  12           H        GLY  12  -3.090  -5.522   8.788
   72    HA2  GLY  12           HA2      GLY  12  -3.804  -4.557  10.823
   73    HA3  GLY  12           HA3      GLY  12  -2.266  -3.710  10.932
   74    H    TYR  13           H        TYR  13  -3.076  -3.254   7.831
   75    HA   TYR  13           HA       TYR  13  -4.357  -0.694   8.495
   76    HB2  TYR  13           HB2      TYR  13  -2.082  -0.688   7.414
   77    HB3  TYR  13           HB3      TYR  13  -2.813  -1.439   6.005
   78    HD1  TYR  13           HD1      TYR  13  -2.415   1.622   7.918
   79    HD2  TYR  13           HD2      TYR  13  -4.315  -0.137   4.556
   80    HE1  TYR  13           HE1      TYR  13  -2.928   3.855   7.050
   81    HE2  TYR  13           HE2      TYR  13  -4.837   2.093   3.680
   82    HH   TYR  13           HH       TYR  13  -5.012   4.265   4.321
   83    H    SER  14           H        SER  14  -6.365  -0.301   7.704
   84    HA   SER  14           HA       SER  14  -7.338  -1.913   5.475
   85    HB2  SER  14           HB2      SER  14  -9.519  -2.149   6.799
   86    HB3  SER  14           HB3      SER  14  -8.152  -3.141   7.307
   87    HG   SER  14           HG       SER  14  -9.229  -0.829   8.509
   88    H    GLY  15           H        GLY  15  -6.573   0.984   6.045
   89    HA2  GLY  15           HA2      GLY  15  -8.997   2.506   5.622
   90    HA3  GLY  15           HA3      GLY  15  -7.353   3.119   5.600
   91    HA   PRO  16           HA       PRO  16  -8.492   3.367   1.132
   92    HB2  PRO  16           HB2      PRO  16  -6.352   5.030   0.541
   93    HB3  PRO  16           HB3      PRO  16  -7.963   5.593   0.992
   94    HG2  PRO  16           HG2      PRO  16  -5.520   5.296   2.683
   95    HG3  PRO  16           HG3      PRO  16  -6.731   6.589   2.683
   96    HD2  PRO  16           HD2      PRO  16  -6.728   4.697   4.568
   97    HD3  PRO  16           HD3      PRO  16  -8.248   5.336   3.922
   98    H    THR  17           H        THR  17  -7.958   1.350   0.447
   99    HA   THR  17           HA       THR  17  -5.249   0.402   0.566
  100    HB   THR  17           HB       THR  17  -6.502  -1.670  -0.314
  101    HG1  THR  17           HG1      THR  17  -8.755  -1.560   0.078
  102   HG21  THR  17          HG21      THR  17  -7.184  -0.514   2.405
  103   HG22  THR  17          HG22      THR  17  -5.727  -1.428   2.021
  104   HG23  THR  17          HG23      THR  17  -7.304  -2.214   1.958
  105    H    VAL  18           H        VAL  18  -7.560   1.606  -1.691
  106    HA   VAL  18           HA       VAL  18  -6.188   0.588  -4.026
  107    HB   VAL  18           HB       VAL  18  -8.479   2.581  -3.822
  108   HG11  VAL  18          HG11      VAL  18  -7.376   1.173  -6.253
  109   HG12  VAL  18          HG12      VAL  18  -7.225   2.891  -5.895
  110   HG13  VAL  18          HG13      VAL  18  -8.815   2.193  -6.218
  111   HG21  VAL  18          HG21      VAL  18  -8.481  -0.346  -4.554
  112   HG22  VAL  18          HG22      VAL  18  -9.885   0.719  -4.550
  113   HG23  VAL  18          HG23      VAL  18  -9.061   0.335  -3.037
  114    H    CYS  19           H        CYS  19  -4.557   1.544  -4.961
  115    HA   CYS  19           HA       CYS  19  -3.561   4.024  -3.947
  116    HB2  CYS  19           HB2      CYS  19  -2.541   2.222  -6.133
  117    HB3  CYS  19           HB3      CYS  19  -1.695   3.644  -5.533
  118    H    ALA  20           H        ALA  20  -2.904   5.781  -5.277
  119    HA   ALA  20           HA       ALA  20  -4.978   6.768  -6.915
  120    HB1  ALA  20           HB1      ALA  20  -3.605   8.210  -5.495
  121    HB2  ALA  20           HB2      ALA  20  -3.542   8.723  -7.184
  122    HB3  ALA  20           HB3      ALA  20  -2.191   7.832  -6.481
  123    H    SER  21           H        SER  21  -4.670   7.598  -9.069
  124    HA   SER  21           HA       SER  21  -4.065   5.689 -10.954
  125    HB2  SER  21           HB2      SER  21  -4.094   8.685 -11.300
  126    HB3  SER  21           HB3      SER  21  -4.335   7.482 -12.570
  127    HG   SER  21           HG       SER  21  -5.992   6.927 -10.592
  128    H    GLY  22           H        GLY  22  -2.175   4.858 -11.461
  129    HA2  GLY  22           HA2      GLY  22  -0.132   5.173 -12.661
  130    HA3  GLY  22           HA3      GLY  22   0.098   6.676 -11.780
  131    H    THR  23           H        THR  23  -0.994   4.837  -9.426
  132    HA   THR  23           HA       THR  23   1.688   3.846  -8.850
  133    HB   THR  23           HB       THR  23   1.250   4.249  -6.437
  134    HG1  THR  23           HG1      THR  23  -1.223   5.060  -7.443
  135   HG21  THR  23          HG21      THR  23   2.492   5.909  -7.715
  136   HG22  THR  23          HG22      THR  23   1.482   6.698  -6.500
  137   HG23  THR  23          HG23      THR  23   0.982   6.689  -8.192
  138    H    THR  24           H        THR  24   1.916   1.933  -7.765
  139    HA   THR  24           HA       THR  24  -0.496   0.290  -7.546
  140    HB   THR  24           HB       THR  24   1.089  -1.667  -7.990
  141    HG1  THR  24           HG1      THR  24   2.952   0.301  -8.107
  142   HG21  THR  24          HG21      THR  24   0.947  -1.410 -10.443
  143   HG22  THR  24          HG22      THR  24   0.559   0.297 -10.229
  144   HG23  THR  24          HG23      THR  24  -0.552  -0.939  -9.644
  145    H    CYS  25           H        CYS  25  -0.571  -1.145  -5.770
  146    HA   CYS  25           HA       CYS  25   0.829  -0.154  -3.471
  147    HB2  CYS  25           HB2      CYS  25  -1.534  -0.831  -3.305
  148    HB3  CYS  25           HB3      CYS  25  -1.107  -2.468  -3.783
  149    H    GLN  26           H        GLN  26   2.830  -0.804  -2.969
  150    HA   GLN  26           HA       GLN  26   3.580  -3.552  -3.678
  151    HB2  GLN  26           HB2      GLN  26   5.390  -1.173  -3.241
  152    HB3  GLN  26           HB3      GLN  26   5.906  -2.796  -3.664
  153    HG2  GLN  26           HG2      GLN  26   4.636  -2.601  -5.767
  154    HG3  GLN  26           HG3      GLN  26   4.277  -0.924  -5.352
  155   HE21  GLN  26          HE21      GLN  26   5.361  -0.059  -7.066
  156   HE22  GLN  26          HE22      GLN  26   7.079  -0.109  -7.201
  157    H    VAL  27           H        VAL  27   4.210  -4.870  -2.099
  158    HA   VAL  27           HA       VAL  27   3.865  -3.901   0.601
  159    HB   VAL  27           HB       VAL  27   4.452  -6.721  -0.365
  160   HG11  VAL  27          HG11      VAL  27   5.009  -6.395   1.975
  161   HG12  VAL  27          HG12      VAL  27   3.579  -7.419   1.821
  162   HG13  VAL  27          HG13      VAL  27   3.406  -5.729   2.281
  163   HG21  VAL  27          HG21      VAL  27   2.052  -7.161  -0.064
  164   HG22  VAL  27          HG22      VAL  27   2.347  -5.940  -1.306
  165   HG23  VAL  27          HG23      VAL  27   1.794  -5.454   0.297
  166    H    LEU  28           H        LEU  28   5.628  -2.708   1.061
  167    HA   LEU  28           HA       LEU  28   8.303  -3.467   0.345
  168    HB2  LEU  28           HB2      LEU  28   7.429  -1.444   2.407
  169    HB3  LEU  28           HB3      LEU  28   9.012  -1.574   1.681
  170    HG   LEU  28           HG       LEU  28   6.469  -0.661   0.331
  171   HD11  LEU  28          HD11      LEU  28   9.025   0.786   0.989
  172   HD12  LEU  28          HD12      LEU  28   7.492   0.953   1.837
  173   HD13  LEU  28          HD13      LEU  28   7.628   1.466   0.155
  174   HD21  LEU  28          HD21      LEU  28   9.240  -0.955  -0.796
  175   HD22  LEU  28          HD22      LEU  28   7.878  -0.146  -1.568
  176   HD23  LEU  28          HD23      LEU  28   7.808  -1.893  -1.274
  177    H    ASN  29           H        ASN  29   6.305  -3.567   3.205
  178    HA   ASN  29           HA       ASN  29   8.121  -5.471   4.449
  179    HB2  ASN  29           HB2      ASN  29   6.873  -3.092   5.871
  180    HB3  ASN  29           HB3      ASN  29   7.832  -4.363   6.619
  181   HD21  ASN  29          HD21      ASN  29   7.853  -1.392   4.919
  182   HD22  ASN  29          HD22      ASN  29   9.550  -1.111   4.972
  183    HA   PRO  30           HA       PRO  30   4.343  -7.630   5.229
  184    HB2  PRO  30           HB2      PRO  30   4.853  -7.495   8.170
  185    HB3  PRO  30           HB3      PRO  30   4.485  -8.897   7.159
  186    HG2  PRO  30           HG2      PRO  30   6.962  -8.499   7.991
  187    HG3  PRO  30           HG3      PRO  30   6.657  -9.032   6.329
  188    HD2  PRO  30           HD2      PRO  30   7.356  -6.304   7.342
  189    HD3  PRO  30           HD3      PRO  30   7.930  -7.120   5.881
  190    H    TYR  31           H        TYR  31   4.850  -5.013   7.624
  191    HA   TYR  31           HA       TYR  31   1.953  -4.647   7.738
  192    HB2  TYR  31           HB2      TYR  31   4.166  -3.334   9.341
  193    HB3  TYR  31           HB3      TYR  31   2.458  -3.003   9.528
  194    HD1  TYR  31           HD1      TYR  31   4.845  -5.873   9.611
  195    HD2  TYR  31           HD2      TYR  31   1.301  -4.136  11.172
  196    HE1  TYR  31           HE1      TYR  31   4.701  -7.666  11.278
  197    HE2  TYR  31           HE2      TYR  31   1.150  -5.921  12.837
  198    HH   TYR  31           HH       TYR  31   1.912  -8.156  13.164
  199    H    TYR  32           H        TYR  32   4.804  -3.173   6.408
  200    HA   TYR  32           HA       TYR  32   3.191  -0.849   5.715
  201    HB2  TYR  32           HB2      TYR  32   5.436  -0.465   6.821
  202    HB3  TYR  32           HB3      TYR  32   6.149  -1.097   5.350
  203    HD1  TYR  32           HD1      TYR  32   3.651   1.436   6.377
  204    HD2  TYR  32           HD2      TYR  32   6.758   0.376   3.697
  205    HE1  TYR  32           HE1      TYR  32   3.464   3.629   5.328
  206    HE2  TYR  32           HE2      TYR  32   6.593   2.568   2.614
  207    HH   TYR  32           HH       TYR  32   4.793   5.130   4.044
  208    H    SER  33           H        SER  33   2.227  -0.929   3.878
  209    HA   SER  33           HA       SER  33   3.701  -1.883   1.538
  210    HB2  SER  33           HB2      SER  33   0.700  -1.876   2.003
  211    HB3  SER  33           HB3      SER  33   1.529  -2.528   0.588
  212    HG   SER  33           HG       SER  33   2.650  -3.722   2.603
  213    H    GLN  34           H        GLN  34   3.744  -0.373  -0.159
  214    HA   GLN  34           HA       GLN  34   2.603   2.254   0.519
  215    HB2  GLN  34           HB2      GLN  34   4.985   2.098   1.128
  216    HB3  GLN  34           HB3      GLN  34   5.367   1.660  -0.527
  217    HG2  GLN  34           HG2      GLN  34   4.629   3.851  -1.285
  218    HG3  GLN  34           HG3      GLN  34   4.192   4.280   0.370
  219   HE21  GLN  34          HE21      GLN  34   5.838   4.670   1.860
  220   HE22  GLN  34          HE22      GLN  34   7.468   4.944   1.367
  221    H    CYS  35           H        CYS  35   1.828   3.403  -1.181
  222    HA   CYS  35           HA       CYS  35   1.474   2.063  -3.677
  223    HB2  CYS  35           HB2      CYS  35   0.714   4.855  -2.814
  224    HB3  CYS  35           HB3      CYS  35   0.291   4.153  -4.372
  225    H    LEU  36           H        LEU  36   2.987   1.881  -5.055
  226    HA   LEU  36           HA       LEU  36   4.605   4.151  -5.873
  227    HB2  LEU  36           HB2      LEU  36   5.571   1.335  -5.343
  228    HB3  LEU  36           HB3      LEU  36   6.519   2.600  -6.088
  229    HG   LEU  36           HG       LEU  36   5.483   2.712  -3.255
  230   HD11  LEU  36          HD11      LEU  36   8.233   2.046  -4.288
  231   HD12  LEU  36          HD12      LEU  36   7.101   0.898  -3.567
  232   HD13  LEU  36          HD13      LEU  36   7.764   2.211  -2.594
  233   HD21  LEU  36          HD21      LEU  36   5.878   4.899  -4.263
  234   HD22  LEU  36          HD22      LEU  36   7.496   4.386  -4.745
  235   HD23  LEU  36          HD23      LEU  36   7.091   4.536  -3.035
  236    H1   MAN 101           H1       MAN 101  -5.827   8.903  -6.053
  237    H2   MAN 101           H2       MAN 101  -6.666  11.252  -4.335
  238    H3   MAN 101           H3       MAN 101  -7.118  12.361  -6.300
  239    H4   MAN 101           H4       MAN 101  -5.293  10.336  -7.669
  240    H5   MAN 101           H5       MAN 101  -8.322  10.695  -8.006
  241    H61  MAN 101           H61      MAN 101  -7.070   9.290  -9.617
  242    H62  MAN 101           H62      MAN 101  -8.299   8.393  -8.704
  243    HO2  MAN 101           HO2      MAN 101  -4.382  11.622  -4.616
  244    HO3  MAN 101           HO3      MAN 101  -4.253  12.102  -6.362
  245    HO4  MAN 101           HO4      MAN 101  -5.356  12.413  -8.631
  246    HO6  MAN 101           HO6      MAN 101  -6.687   7.108  -8.258
  Start of MODEL   18
    1    H1   THR   1           H1       THR   1  -9.347   6.365  -2.633
    2    H2   THR   1           H2       THR   1  -8.414   7.748  -2.363
    3    H3   THR   1           H3       THR   1  -8.429   6.526  -1.219
    4    HA   THR   1           HA       THR   1  -7.315   5.073  -2.794
    5    HB   THR   1           HB       THR   1  -6.309   6.301  -4.787
    6   HG21  THR   1          HG21      THR   1  -8.331   5.904  -6.178
    7   HG22  THR   1          HG22      THR   1  -9.332   5.918  -4.727
    8   HG23  THR   1          HG23      THR   1  -8.151   4.633  -4.970
    9    H    GLN   2           H        GLN   2  -5.201   4.889  -2.201
   10    HA   GLN   2           HA       GLN   2  -4.167   7.074  -0.658
   11    HB2  GLN   2           HB2      GLN   2  -4.003   4.673   0.073
   12    HB3  GLN   2           HB3      GLN   2  -2.842   4.421  -1.225
   13    HG2  GLN   2           HG2      GLN   2  -1.758   4.781   0.938
   14    HG3  GLN   2           HG3      GLN   2  -1.338   6.031  -0.237
   15   HE21  GLN   2          HE21      GLN   2  -3.098   5.311   2.643
   16   HE22  GLN   2          HE22      GLN   2  -3.416   6.938   3.129
   17    H    SER   3           H        SER   3  -2.333   8.224  -1.073
   18    HA   SER   3           HA       SER   3  -1.854   8.562  -3.905
   19    HB2  SER   3           HB2      SER   3  -0.996  10.238  -1.550
   20    HB3  SER   3           HB3      SER   3  -0.950  10.712  -3.254
   21    HG   SER   3           HG       SER   3  -3.357   9.828  -2.806
   22    H    HIS   4           H        HIS   4   0.502   9.358  -4.402
   23    HA   HIS   4           HA       HIS   4   2.171   7.089  -4.215
   24    HB2  HIS   4           HB2      HIS   4   2.022   8.819  -6.094
   25    HB3  HIS   4           HB3      HIS   4   2.955   9.886  -5.058
   26    HD1  HIS   4           HD1      HIS   4   5.155  10.018  -6.151
   27    HD2  HIS   4           HD2      HIS   4   3.724   6.139  -6.022
   28    HE1  HIS   4           HE1      HIS   4   6.971   8.601  -7.146
   29    HE2  HIS   4           HE2      HIS   4   6.067   6.284  -7.158
   30    H    TYR   5           H        TYR   5   3.639   6.562  -2.767
   31    HA   TYR   5           HA       TYR   5   4.986   6.499  -1.018
   32    HB2  TYR   5           HB2      TYR   5   5.064   9.513  -1.234
   33    HB3  TYR   5           HB3      TYR   5   5.894   8.624   0.043
   34    HD1  TYR   5           HD1      TYR   5   5.842   9.376  -3.543
   35    HD2  TYR   5           HD2      TYR   5   7.842   7.317  -0.424
   36    HE1  TYR   5           HE1      TYR   5   7.780   9.038  -5.014
   37    HE2  TYR   5           HE2      TYR   5   9.786   6.968  -1.881
   38    HH   TYR   5           HH       TYR   5  10.144   8.614  -4.828
   39    H    GLY   6           H        GLY   6   1.992   6.982  -0.919
   40    HA2  GLY   6           HA2      GLY   6   1.815   7.462   1.955
   41    HA3  GLY   6           HA3      GLY   6   0.458   7.357   0.828
   42    H    GLN   7           H        GLN   7   0.869   5.852   3.296
   43    HA   GLN   7           HA       GLN   7   1.582   3.206   2.479
   44    HB2  GLN   7           HB2      GLN   7   2.022   3.893   4.780
   45    HB3  GLN   7           HB3      GLN   7   0.320   4.235   5.032
   46    HG2  GLN   7           HG2      GLN   7  -0.209   1.867   4.806
   47    HG3  GLN   7           HG3      GLN   7   1.488   1.503   4.502
   48   HE21  GLN   7          HE21      GLN   7  -0.323   0.578   6.640
   49   HE22  GLN   7          HE22      GLN   7   0.448   1.011   8.114
   50    H    CYS   8           H        CYS   8   0.294   2.245   1.062
   51    HA   CYS   8           HA       CYS   8  -2.539   2.530   0.998
   52    HB2  CYS   8           HB2      CYS   8  -2.365   0.527  -0.555
   53    HB3  CYS   8           HB3      CYS   8  -1.459   1.952  -1.053
   54    H    GLY   9           H        GLY   9  -0.244   0.429   2.477
   55    HA2  GLY   9           HA2      GLY   9  -0.896  -0.330   4.668
   56    HA3  GLY   9           HA3      GLY   9  -2.502  -0.561   4.015
   57    H    GLY  10           H        GLY  10  -0.072  -2.086   5.215
   58    HA2  GLY  10           HA2      GLY  10  -0.316  -4.453   3.560
   59    HA3  GLY  10           HA3      GLY  10   0.841  -4.196   4.878
   60    H    ILE  11           H        ILE  11   0.019  -6.197   5.781
   61    HA   ILE  11           HA       ILE  11  -2.600  -6.693   6.550
   62    HB   ILE  11           HB       ILE  11  -0.074  -7.436   8.067
   63   HG12  ILE  11          HG12      ILE  11  -1.572  -8.971   5.928
   64   HG13  ILE  11          HG13      ILE  11  -0.036  -8.142   5.695
   65   HG21  ILE  11          HG21      ILE  11  -1.391  -9.301   8.965
   66   HG22  ILE  11          HG22      ILE  11  -2.811  -8.709   8.107
   67   HG23  ILE  11          HG23      ILE  11  -2.107  -7.747   9.406
   68   HD11  ILE  11          HD11      ILE  11   1.008  -9.652   7.310
   69   HD12  ILE  11          HD12      ILE  11   0.278 -10.530   5.963
   70   HD13  ILE  11          HD13      ILE  11  -0.532 -10.479   7.528
   71    H    GLY  12           H        GLY  12  -3.936  -5.737   7.969
   72    HA2  GLY  12           HA2      GLY  12  -4.363  -5.017  10.238
   73    HA3  GLY  12           HA3      GLY  12  -2.788  -4.237  10.230
   74    H    TYR  13           H        TYR  13  -3.248  -3.175   7.506
   75    HA   TYR  13           HA       TYR  13  -4.507  -0.721   8.385
   76    HB2  TYR  13           HB2      TYR  13  -2.389  -0.860   7.006
   77    HB3  TYR  13           HB3      TYR  13  -3.380  -1.426   5.673
   78    HD1  TYR  13           HD1      TYR  13  -4.963   0.161   4.567
   79    HD2  TYR  13           HD2      TYR  13  -2.282   1.429   7.607
   80    HE1  TYR  13           HE1      TYR  13  -5.282   2.495   3.874
   81    HE2  TYR  13           HE2      TYR  13  -2.601   3.762   6.928
   82    HH   TYR  13           HH       TYR  13  -3.271   4.998   4.948
   83    H    SER  14           H        SER  14  -6.571  -0.108   7.893
   84    HA   SER  14           HA       SER  14  -8.004  -1.734   5.922
   85    HB2  SER  14           HB2      SER  14 -10.023  -1.463   7.426
   86    HB3  SER  14           HB3      SER  14  -8.748  -2.524   8.023
   87    HG   SER  14           HG       SER  14  -9.216   0.175   8.746
   88    H    GLY  15           H        GLY  15  -6.813   1.169   6.218
   89    HA2  GLY  15           HA2      GLY  15  -9.132   2.799   5.598
   90    HA3  GLY  15           HA3      GLY  15  -7.452   3.313   5.593
   91    HA   PRO  16           HA       PRO  16  -8.407   3.106   1.168
   92    HB2  PRO  16           HB2      PRO  16  -6.491   4.880   0.372
   93    HB3  PRO  16           HB3      PRO  16  -8.082   5.381   0.953
   94    HG2  PRO  16           HG2      PRO  16  -5.472   5.325   2.392
   95    HG3  PRO  16           HG3      PRO  16  -6.778   6.518   2.479
   96    HD2  PRO  16           HD2      PRO  16  -6.370   4.572   4.367
   97    HD3  PRO  16           HD3      PRO  16  -7.949   5.297   4.029
   98    H    THR  17           H        THR  17  -7.667   0.973   1.099
   99    HA   THR  17           HA       THR  17  -4.886   0.353   1.063
  100    HB   THR  17           HB       THR  17  -5.828  -1.946   0.455
  101    HG1  THR  17           HG1      THR  17  -7.829  -1.867  -0.130
  102   HG21  THR  17          HG21      THR  17  -5.167  -1.328   2.746
  103   HG22  THR  17          HG22      THR  17  -6.611  -2.341   2.766
  104   HG23  THR  17          HG23      THR  17  -6.750  -0.599   3.007
  105    H    VAL  18           H        VAL  18  -7.114   1.393  -1.264
  106    HA   VAL  18           HA       VAL  18  -5.549   0.226  -3.447
  107    HB   VAL  18           HB       VAL  18  -8.158   1.786  -3.623
  108   HG11  VAL  18          HG11      VAL  18  -8.285   0.931  -5.911
  109   HG12  VAL  18          HG12      VAL  18  -6.718   0.152  -5.706
  110   HG13  VAL  18          HG13      VAL  18  -6.838   1.910  -5.669
  111   HG21  VAL  18          HG21      VAL  18  -9.235  -0.370  -4.060
  112   HG22  VAL  18          HG22      VAL  18  -8.497  -0.329  -2.456
  113   HG23  VAL  18          HG23      VAL  18  -7.701  -1.191  -3.773
  114    H    CYS  19           H        CYS  19  -4.272   1.440  -4.654
  115    HA   CYS  19           HA       CYS  19  -3.639   4.066  -3.667
  116    HB2  CYS  19           HB2      CYS  19  -2.395   2.386  -5.841
  117    HB3  CYS  19           HB3      CYS  19  -1.746   3.899  -5.213
  118    H    ALA  20           H        ALA  20  -3.016   5.675  -5.449
  119    HA   ALA  20           HA       ALA  20  -5.337   6.196  -7.046
  120    HB1  ALA  20           HB1      ALA  20  -4.103   8.199  -7.763
  121    HB2  ALA  20           HB2      ALA  20  -2.645   7.578  -6.991
  122    HB3  ALA  20           HB3      ALA  20  -4.037   8.023  -6.007
  123    H    SER  21           H        SER  21  -5.505   6.032  -9.266
  124    HA   SER  21           HA       SER  21  -4.223   3.998 -10.608
  125    HB2  SER  21           HB2      SER  21  -5.469   6.492 -11.802
  126    HB3  SER  21           HB3      SER  21  -5.156   4.988 -12.668
  127    HG   SER  21           HG       SER  21  -7.287   5.629 -11.247
  128    H    GLY  22           H        GLY  22  -2.230   3.747 -11.367
  129    HA2  GLY  22           HA2      GLY  22  -0.447   4.571 -12.753
  130    HA3  GLY  22           HA3      GLY  22  -0.682   6.154 -12.016
  131    H    THR  23           H        THR  23  -1.090   4.399  -9.430
  132    HA   THR  23           HA       THR  23   1.772   3.968  -8.919
  133    HB   THR  23           HB       THR  23   1.368   4.616  -6.537
  134    HG1  THR  23           HG1      THR  23  -1.240   5.007  -7.518
  135   HG21  THR  23          HG21      THR  23   2.257   6.286  -8.060
  136   HG22  THR  23          HG22      THR  23   1.180   7.023  -6.873
  137   HG23  THR  23          HG23      THR  23   0.619   6.757  -8.525
  138    H    THR  24           H        THR  24   2.278   2.097  -7.665
  139    HA   THR  24           HA       THR  24  -0.027   0.324  -7.397
  140    HB   THR  24           HB       THR  24   1.632  -1.564  -7.589
  141    HG1  THR  24           HG1      THR  24   3.429   0.515  -7.616
  142   HG21  THR  24          HG21      THR  24   1.462   0.326  -9.934
  143   HG22  THR  24          HG22      THR  24   0.261  -0.888  -9.488
  144   HG23  THR  24          HG23      THR  24   1.863  -1.389 -10.029
  145    H    CYS  25           H        CYS  25  -0.332  -0.802  -5.551
  146    HA   CYS  25           HA       CYS  25   0.958   0.194  -3.192
  147    HB2  CYS  25           HB2      CYS  25  -1.445  -0.418  -3.163
  148    HB3  CYS  25           HB3      CYS  25  -1.026  -2.080  -3.561
  149    H    GLN  26           H        GLN  26   3.070  -0.385  -3.125
  150    HA   GLN  26           HA       GLN  26   3.775  -3.114  -3.793
  151    HB2  GLN  26           HB2      GLN  26   5.610  -0.808  -3.112
  152    HB3  GLN  26           HB3      GLN  26   6.095  -2.371  -3.755
  153    HG2  GLN  26           HG2      GLN  26   4.689  -1.832  -5.784
  154    HG3  GLN  26           HG3      GLN  26   4.557  -0.196  -5.152
  155   HE21  GLN  26          HE21      GLN  26   5.710  -1.008  -7.604
  156   HE22  GLN  26          HE22      GLN  26   7.381  -0.571  -7.594
  157    H    VAL  27           H        VAL  27   4.160  -4.576  -2.354
  158    HA   VAL  27           HA       VAL  27   3.908  -3.924   0.437
  159    HB   VAL  27           HB       VAL  27   4.349  -6.613  -0.917
  160   HG11  VAL  27          HG11      VAL  27   5.101  -6.665   1.404
  161   HG12  VAL  27          HG12      VAL  27   3.622  -7.609   1.206
  162   HG13  VAL  27          HG13      VAL  27   3.555  -6.003   1.931
  163   HG21  VAL  27          HG21      VAL  27   1.973  -7.006  -0.507
  164   HG22  VAL  27          HG22      VAL  27   2.208  -5.579  -1.522
  165   HG23  VAL  27          HG23      VAL  27   1.822  -5.391   0.182
  166    H    LEU  28           H        LEU  28   5.676  -2.824   0.989
  167    HA   LEU  28           HA       LEU  28   8.356  -3.628   0.361
  168    HB2  LEU  28           HB2      LEU  28   7.327  -1.698   2.449
  169    HB3  LEU  28           HB3      LEU  28   8.994  -1.842   1.936
  170    HG   LEU  28           HG       LEU  28   6.725  -0.929   0.154
  171   HD11  LEU  28          HD11      LEU  28   7.151   0.675   1.893
  172   HD12  LEU  28          HD12      LEU  28   7.758   1.283   0.348
  173   HD13  LEU  28          HD13      LEU  28   8.881   0.640   1.551
  174   HD21  LEU  28          HD21      LEU  28   8.496  -0.224  -1.335
  175   HD22  LEU  28          HD22      LEU  28   8.558  -1.976  -1.076
  176   HD23  LEU  28          HD23      LEU  28   9.698  -0.903  -0.240
  177    H    ASN  29           H        ASN  29   6.319  -3.649   3.226
  178    HA   ASN  29           HA       ASN  29   7.875  -5.878   4.312
  179    HB2  ASN  29           HB2      ASN  29   6.644  -3.609   5.946
  180    HB3  ASN  29           HB3      ASN  29   7.491  -5.022   6.549
  181   HD21  ASN  29          HD21      ASN  29   8.021  -2.258   7.077
  182   HD22  ASN  29          HD22      ASN  29   9.638  -1.958   6.569
  183    HA   PRO  30           HA       PRO  30   3.922  -7.936   4.672
  184    HB2  PRO  30           HB2      PRO  30   4.318  -8.059   7.634
  185    HB3  PRO  30           HB3      PRO  30   3.879  -9.354   6.515
  186    HG2  PRO  30           HG2      PRO  30   6.341  -9.229   7.412
  187    HG3  PRO  30           HG3      PRO  30   6.066  -9.536   5.686
  188    HD2  PRO  30           HD2      PRO  30   6.879  -7.004   7.054
  189    HD3  PRO  30           HD3      PRO  30   7.493  -7.687   5.538
  190    H    TYR  31           H        TYR  31   4.447  -5.558   7.272
  191    HA   TYR  31           HA       TYR  31   1.587  -5.017   7.231
  192    HB2  TYR  31           HB2      TYR  31   3.685  -4.110   9.209
  193    HB3  TYR  31           HB3      TYR  31   1.955  -3.800   9.318
  194    HD1  TYR  31           HD1      TYR  31   0.405  -5.631   9.847
  195    HD2  TYR  31           HD2      TYR  31   4.594  -6.289   9.789
  196    HE1  TYR  31           HE1      TYR  31   0.088  -7.733  11.060
  197    HE2  TYR  31           HE2      TYR  31   4.287  -8.396  11.005
  198    HH   TYR  31           HH       TYR  31   1.236  -9.829  11.395
  199    H    TYR  32           H        TYR  32   4.607  -3.603   6.299
  200    HA   TYR  32           HA       TYR  32   3.221  -1.058   5.837
  201    HB2  TYR  32           HB2      TYR  32   5.342  -0.952   7.105
  202    HB3  TYR  32           HB3      TYR  32   6.201  -1.569   5.697
  203    HD1  TYR  32           HD1      TYR  32   6.766  -0.078   3.878
  204    HD2  TYR  32           HD2      TYR  32   4.328   1.267   7.087
  205    HE1  TYR  32           HE1      TYR  32   7.075   2.243   3.121
  206    HE2  TYR  32           HE2      TYR  32   4.620   3.589   6.354
  207    HH   TYR  32           HH       TYR  32   5.981   4.469   3.357
  208    H    SER  33           H        SER  33   2.374  -0.839   3.924
  209    HA   SER  33           HA       SER  33   3.923  -1.661   1.600
  210    HB2  SER  33           HB2      SER  33   0.915  -1.917   1.947
  211    HB3  SER  33           HB3      SER  33   1.825  -2.352   0.498
  212    HG   SER  33           HG       SER  33   2.916  -3.574   2.621
  213    H    GLN  34           H        GLN  34   3.789  -0.130  -0.126
  214    HA   GLN  34           HA       GLN  34   2.471   2.375   0.605
  215    HB2  GLN  34           HB2      GLN  34   4.741   2.476   1.493
  216    HB3  GLN  34           HB3      GLN  34   5.392   2.063  -0.081
  217    HG2  GLN  34           HG2      GLN  34   4.743   4.145  -0.988
  218    HG3  GLN  34           HG3      GLN  34   3.794   4.548   0.446
  219   HE21  GLN  34          HE21      GLN  34   6.964   4.345  -0.917
  220   HE22  GLN  34          HE22      GLN  34   7.772   5.164   0.373
  221    H    CYS  35           H        CYS  35   1.862   3.665  -1.089
  222    HA   CYS  35           HA       CYS  35   1.597   2.385  -3.635
  223    HB2  CYS  35           HB2      CYS  35   0.841   5.198  -2.808
  224    HB3  CYS  35           HB3      CYS  35   0.367   4.394  -4.295
  225    H    LEU  36           H        LEU  36   3.234   2.246  -4.888
  226    HA   LEU  36           HA       LEU  36   4.790   4.617  -5.494
  227    HB2  LEU  36           HB2      LEU  36   5.764   1.768  -5.211
  228    HB3  LEU  36           HB3      LEU  36   6.724   3.093  -5.839
  229    HG   LEU  36           HG       LEU  36   5.611   2.976  -3.031
  230   HD11  LEU  36          HD11      LEU  36   7.317   1.274  -3.386
  231   HD12  LEU  36          HD12      LEU  36   7.883   2.563  -2.323
  232   HD13  LEU  36          HD13      LEU  36   8.417   2.508  -4.005
  233   HD21  LEU  36          HD21      LEU  36   7.548   4.876  -4.346
  234   HD22  LEU  36          HD22      LEU  36   7.155   4.858  -2.634
  235   HD23  LEU  36          HD23      LEU  36   5.910   5.256  -3.813
  236    H1   MAN 101           H1       MAN 101  -6.401   8.171  -6.168
  237    H2   MAN 101           H2       MAN 101  -8.108  10.436  -5.059
  238    H3   MAN 101           H3       MAN 101  -7.134  11.814  -6.728
  239    H4   MAN 101           H4       MAN 101  -7.945  10.799  -8.839
  240    H5   MAN 101           H5       MAN 101  -9.204   8.537  -8.549
  241    H61  MAN 101           H61      MAN 101  -6.168   8.687  -8.303
  242    H62  MAN 101           H62      MAN 101  -7.130   8.416  -9.756
  243    HO2  MAN 101           HO2      MAN 101  -5.976  11.247  -4.730
  244    HO3  MAN 101           HO3      MAN 101  -5.179  10.685  -6.752
  245    HO4  MAN 101           HO4      MAN 101 -10.078  10.762  -8.069
  246    HO6  MAN 101           HO6      MAN 101  -7.952   6.488  -8.279
  Start of MODEL   19
    1    H1   THR   1           H1       THR   1  -8.407   7.245  -1.286
    2    H2   THR   1           H2       THR   1  -9.181   7.569  -2.771
    3    H3   THR   1           H3       THR   1  -8.022   8.628  -2.135
    4    HA   THR   1           HA       THR   1  -7.369   5.918  -2.962
    5    HB   THR   1           HB       THR   1  -6.070   7.143  -4.721
    6   HG21  THR   1          HG21      THR   1  -9.091   7.461  -4.820
    7   HG22  THR   1          HG22      THR   1  -8.197   6.016  -5.298
    8   HG23  THR   1          HG23      THR   1  -8.039   7.513  -6.223
    9    H    GLN   2           H        GLN   2  -5.291   5.377  -2.423
   10    HA   GLN   2           HA       GLN   2  -3.968   7.147  -0.569
   11    HB2  GLN   2           HB2      GLN   2  -4.202   4.618  -0.273
   12    HB3  GLN   2           HB3      GLN   2  -3.024   4.458  -1.566
   13    HG2  GLN   2           HG2      GLN   2  -1.873   4.279   0.517
   14    HG3  GLN   2           HG3      GLN   2  -1.442   5.806  -0.244
   15   HE21  GLN   2          HE21      GLN   2  -4.469   5.192   1.427
   16   HE22  GLN   2          HE22      GLN   2  -4.191   6.298   2.718
   17    H    SER   3           H        SER   3  -2.342   8.439  -1.153
   18    HA   SER   3           HA       SER   3  -1.681   8.652  -3.945
   19    HB2  SER   3           HB2      SER   3  -0.760  10.267  -1.565
   20    HB3  SER   3           HB3      SER   3  -0.621  10.731  -3.263
   21    HG   SER   3           HG       SER   3  -3.113  10.113  -2.955
   22    H    HIS   4           H        HIS   4   0.665   9.203  -4.470
   23    HA   HIS   4           HA       HIS   4   2.231   6.889  -4.209
   24    HB2  HIS   4           HB2      HIS   4   2.318   8.605  -6.059
   25    HB3  HIS   4           HB3      HIS   4   3.153   9.677  -4.954
   26    HD1  HIS   4           HD1      HIS   4   5.596   9.704  -5.444
   27    HD2  HIS   4           HD2      HIS   4   3.914   5.983  -6.161
   28    HE1  HIS   4           HE1      HIS   4   7.471   8.266  -6.267
   29    HE2  HIS   4           HE2      HIS   4   6.338   6.166  -7.018
   30    H    TYR   5           H        TYR   5   3.752   6.317  -2.778
   31    HA   TYR   5           HA       TYR   5   5.069   6.232  -0.984
   32    HB2  TYR   5           HB2      TYR   5   4.967   9.259  -1.001
   33    HB3  TYR   5           HB3      TYR   5   5.880   8.343   0.185
   34    HD1  TYR   5           HD1      TYR   5   6.389  10.304  -2.462
   35    HD2  TYR   5           HD2      TYR   5   7.238   6.306  -1.298
   36    HE1  TYR   5           HE1      TYR   5   8.315  10.270  -3.985
   37    HE2  TYR   5           HE2      TYR   5   9.156   6.260  -2.816
   38    HH   TYR   5           HH       TYR   5  10.411   9.060  -4.228
   39    H    GLY   6           H        GLY   6   2.005   6.674  -0.923
   40    HA2  GLY   6           HA2      GLY   6   1.778   7.039   1.961
   41    HA3  GLY   6           HA3      GLY   6   0.443   6.931   0.813
   42    H    GLN   7           H        GLN   7   0.555   5.395   3.155
   43    HA   GLN   7           HA       GLN   7   1.487   2.759   2.424
   44    HB2  GLN   7           HB2      GLN   7   1.619   3.679   4.776
   45    HB3  GLN   7           HB3      GLN   7  -0.135   3.605   4.830
   46    HG2  GLN   7           HG2      GLN   7  -0.046   1.178   4.547
   47    HG3  GLN   7           HG3      GLN   7   1.713   1.250   4.485
   48   HE21  GLN   7          HE21      GLN   7   0.093  -0.203   6.395
   49   HE22  GLN   7          HE22      GLN   7   0.446   0.417   7.936
   50    H    CYS   8           H        CYS   8   0.290   1.620   1.065
   51    HA   CYS   8           HA       CYS   8  -2.430   2.251   0.529
   52    HB2  CYS   8           HB2      CYS   8  -2.261   0.174  -0.942
   53    HB3  CYS   8           HB3      CYS   8  -1.221   1.538  -1.333
   54    H    GLY   9           H        GLY   9  -0.983  -0.806   1.658
   55    HA2  GLY   9           HA2      GLY   9  -2.815  -1.088   3.744
   56    HA3  GLY   9           HA3      GLY   9  -3.461  -1.896   2.321
   57    H    GLY  10           H        GLY  10  -1.050  -1.887   4.744
   58    HA2  GLY  10           HA2      GLY  10  -0.108  -4.501   3.847
   59    HA3  GLY  10           HA3      GLY  10   0.675  -3.488   5.060
   60    H    ILE  11           H        ILE  11   0.564  -5.558   6.312
   61    HA   ILE  11           HA       ILE  11  -1.898  -6.593   7.180
   62    HB   ILE  11           HB       ILE  11   0.830  -6.727   8.498
   63   HG12  ILE  11          HG12      ILE  11  -0.660  -8.737   6.788
   64   HG13  ILE  11          HG13      ILE  11   0.698  -7.752   6.264
   65   HG21  ILE  11          HG21      ILE  11  -1.654  -8.336   9.119
   66   HG22  ILE  11          HG22      ILE  11  -0.913  -7.127  10.164
   67   HG23  ILE  11          HG23      ILE  11  -0.052  -8.622   9.799
   68   HD11  ILE  11          HD11      ILE  11   2.149  -8.880   7.859
   69   HD12  ILE  11          HD12      ILE  11   1.369 -10.037   6.774
   70   HD13  ILE  11          HD13      ILE  11   0.779  -9.837   8.426
   71    H    GLY  12           H        GLY  12  -3.369  -5.564   8.326
   72    HA2  GLY  12           HA2      GLY  12  -4.045  -4.743  10.495
   73    HA3  GLY  12           HA3      GLY  12  -2.471  -3.978  10.638
   74    H    TYR  13           H        TYR  13  -3.336  -3.412   7.569
   75    HA   TYR  13           HA       TYR  13  -4.323  -0.756   8.280
   76    HB2  TYR  13           HB2      TYR  13  -2.350  -1.136   6.703
   77    HB3  TYR  13           HB3      TYR  13  -3.519  -1.775   5.557
   78    HD1  TYR  13           HD1      TYR  13  -1.931   1.142   6.852
   79    HD2  TYR  13           HD2      TYR  13  -5.374  -0.174   4.746
   80    HE1  TYR  13           HE1      TYR  13  -2.279   3.420   6.015
   81    HE2  TYR  13           HE2      TYR  13  -5.734   2.111   3.905
   82    HH   TYR  13           HH       TYR  13  -3.400   4.365   3.930
   83    H    SER  14           H        SER  14  -6.481  -0.591   8.393
   84    HA   SER  14           HA       SER  14  -8.091  -2.297   6.659
   85    HB2  SER  14           HB2      SER  14  -9.862  -1.664   8.396
   86    HB3  SER  14           HB3      SER  14  -8.585  -2.781   8.877
   87    HG   SER  14           HG       SER  14  -9.157  -0.275   9.777
   88    H    GLY  15           H        GLY  15  -6.897   0.622   6.425
   89    HA2  GLY  15           HA2      GLY  15  -9.328   2.120   5.897
   90    HA3  GLY  15           HA3      GLY  15  -7.679   2.715   5.763
   91    HA   PRO  16           HA       PRO  16  -9.224   2.108   1.462
   92    HB2  PRO  16           HB2      PRO  16  -8.093   4.357   0.439
   93    HB3  PRO  16           HB3      PRO  16  -9.677   4.341   1.221
   94    HG2  PRO  16           HG2      PRO  16  -7.033   5.184   2.316
   95    HG3  PRO  16           HG3      PRO  16  -8.630   5.917   2.547
   96    HD2  PRO  16           HD2      PRO  16  -7.426   4.312   4.391
   97    HD3  PRO  16           HD3      PRO  16  -9.187   4.469   4.231
   98    H    THR  17           H        THR  17  -8.042   0.517   0.630
   99    HA   THR  17           HA       THR  17  -5.142   0.647   0.623
  100    HB   THR  17           HB       THR  17  -5.364  -1.735  -0.137
  101    HG1  THR  17           HG1      THR  17  -7.340  -1.897  -1.086
  102   HG21  THR  17          HG21      THR  17  -6.102  -2.589   2.011
  103   HG22  THR  17          HG22      THR  17  -6.997  -1.111   2.322
  104   HG23  THR  17          HG23      THR  17  -5.237  -1.070   2.293
  105    H    VAL  18           H        VAL  18  -7.483   1.733  -1.345
  106    HA   VAL  18           HA       VAL  18  -6.426   0.841  -3.889
  107    HB   VAL  18           HB       VAL  18  -8.519   2.962  -3.313
  108   HG11  VAL  18          HG11      VAL  18  -7.869   1.521  -5.887
  109   HG12  VAL  18          HG12      VAL  18  -7.541   3.217  -5.533
  110   HG13  VAL  18          HG13      VAL  18  -9.207   2.644  -5.646
  111   HG21  VAL  18          HG21      VAL  18  -9.227   0.790  -2.468
  112   HG22  VAL  18          HG22      VAL  18  -8.873   0.051  -4.029
  113   HG23  VAL  18          HG23      VAL  18 -10.174   1.232  -3.891
  114    H    CYS  19           H        CYS  19  -4.650   1.711  -4.640
  115    HA   CYS  19           HA       CYS  19  -3.619   4.237  -3.758
  116    HB2  CYS  19           HB2      CYS  19  -2.638   2.334  -5.890
  117    HB3  CYS  19           HB3      CYS  19  -1.774   3.767  -5.351
  118    H    ALA  20           H        ALA  20  -2.814   5.844  -5.355
  119    HA   ALA  20           HA       ALA  20  -4.952   6.783  -6.988
  120    HB1  ALA  20           HB1      ALA  20  -3.480   8.678  -7.459
  121    HB2  ALA  20           HB2      ALA  20  -2.125   7.818  -6.728
  122    HB3  ALA  20           HB3      ALA  20  -3.493   8.314  -5.734
  123    H    SER  21           H        SER  21  -4.241   7.686  -9.256
  124    HA   SER  21           HA       SER  21  -3.891   5.455 -10.917
  125    HB2  SER  21           HB2      SER  21  -3.702   8.368 -11.641
  126    HB3  SER  21           HB3      SER  21  -4.255   7.025 -12.654
  127    HG   SER  21           HG       SER  21  -5.926   6.728 -11.036
  128    H    GLY  22           H        GLY  22  -2.079   4.628 -11.759
  129    HA2  GLY  22           HA2      GLY  22   0.048   4.663 -12.716
  130    HA3  GLY  22           HA3      GLY  22   0.299   6.271 -12.048
  131    H    THR  23           H        THR  23  -0.938   4.495  -9.596
  132    HA   THR  23           HA       THR  23   1.722   3.619  -8.738
  133    HB   THR  23           HB       THR  23   1.101   4.232  -6.400
  134    HG1  THR  23           HG1      THR  23  -1.282   4.796  -7.594
  135   HG21  THR  23          HG21      THR  23   2.489   5.730  -7.724
  136   HG22  THR  23          HG22      THR  23   1.426   6.652  -6.654
  137   HG23  THR  23          HG23      THR  23   1.043   6.501  -8.373
  138    H    THR  24           H        THR  24   1.861   1.711  -7.663
  139    HA   THR  24           HA       THR  24  -0.630   0.210  -7.383
  140    HB   THR  24           HB       THR  24   0.853  -1.830  -7.731
  141    HG1  THR  24           HG1      THR  24   2.725   0.178  -8.003
  142   HG21  THR  24          HG21      THR  24   0.796  -1.636 -10.189
  143   HG22  THR  24          HG22      THR  24   0.536   0.100 -10.033
  144   HG23  THR  24          HG23      THR  24  -0.689  -1.027  -9.461
  145    H    CYS  25           H        CYS  25  -0.647  -1.311  -5.622
  146    HA   CYS  25           HA       CYS  25   0.743  -0.266  -3.335
  147    HB2  CYS  25           HB2      CYS  25  -1.616  -0.995  -3.168
  148    HB3  CYS  25           HB3      CYS  25  -1.143  -2.637  -3.572
  149    H    GLN  26           H        GLN  26   2.850  -0.753  -3.200
  150    HA   GLN  26           HA       GLN  26   3.652  -3.497  -3.803
  151    HB2  GLN  26           HB2      GLN  26   5.349  -0.996  -3.618
  152    HB3  GLN  26           HB3      GLN  26   5.951  -2.604  -3.998
  153    HG2  GLN  26           HG2      GLN  26   4.508  -2.620  -6.017
  154    HG3  GLN  26           HG3      GLN  26   4.045  -0.962  -5.654
  155   HE21  GLN  26          HE21      GLN  26   4.891  -0.124  -7.517
  156   HE22  GLN  26          HE22      GLN  26   6.568  -0.020  -7.856
  157    H    VAL  27           H        VAL  27   4.332  -4.755  -2.246
  158    HA   VAL  27           HA       VAL  27   4.103  -3.766   0.463
  159    HB   VAL  27           HB       VAL  27   4.592  -6.584  -0.539
  160   HG11  VAL  27          HG11      VAL  27   3.944  -7.297   1.708
  161   HG12  VAL  27          HG12      VAL  27   3.824  -5.608   2.203
  162   HG13  VAL  27          HG13      VAL  27   5.388  -6.283   1.738
  163   HG21  VAL  27          HG21      VAL  27   2.438  -5.726  -1.250
  164   HG22  VAL  27          HG22      VAL  27   2.056  -5.263   0.408
  165   HG23  VAL  27          HG23      VAL  27   2.225  -6.966  -0.014
  166    H    LEU  28           H        LEU  28   5.838  -2.712   1.111
  167    HA   LEU  28           HA       LEU  28   8.507  -3.531   0.368
  168    HB2  LEU  28           HB2      LEU  28   7.699  -1.476   2.425
  169    HB3  LEU  28           HB3      LEU  28   9.260  -1.638   1.663
  170    HG   LEU  28           HG       LEU  28   6.708  -0.667   0.374
  171   HD11  LEU  28          HD11      LEU  28   7.810   0.940   1.824
  172   HD12  LEU  28          HD12      LEU  28   7.921   1.420   0.129
  173   HD13  LEU  28          HD13      LEU  28   9.319   0.713   0.938
  174   HD21  LEU  28          HD21      LEU  28   7.952  -1.975  -1.247
  175   HD22  LEU  28          HD22      LEU  28   9.426  -1.073  -0.851
  176   HD23  LEU  28          HD23      LEU  28   8.062  -0.247  -1.610
  177    H    ASN  29           H        ASN  29   6.463  -3.446   3.229
  178    HA   ASN  29           HA       ASN  29   8.177  -5.386   4.599
  179    HB2  ASN  29           HB2      ASN  29   6.870  -2.933   5.856
  180    HB3  ASN  29           HB3      ASN  29   7.806  -4.161   6.691
  181   HD21  ASN  29          HD21      ASN  29   8.138  -1.286   6.530
  182   HD22  ASN  29          HD22      ASN  29   9.710  -0.985   5.928
  183    HA   PRO  30           HA       PRO  30   4.350  -7.511   5.304
  184    HB2  PRO  30           HB2      PRO  30   4.572  -7.324   8.257
  185    HB3  PRO  30           HB3      PRO  30   4.436  -8.757   7.234
  186    HG2  PRO  30           HG2      PRO  30   6.747  -8.108   8.384
  187    HG3  PRO  30           HG3      PRO  30   6.694  -8.788   6.749
  188    HD2  PRO  30           HD2      PRO  30   7.111  -5.961   7.621
  189    HD3  PRO  30           HD3      PRO  30   7.885  -6.852   6.296
  190    H    TYR  31           H        TYR  31   4.676  -4.850   7.670
  191    HA   TYR  31           HA       TYR  31   1.773  -4.529   7.617
  192    HB2  TYR  31           HB2      TYR  31   3.827  -3.057   9.302
  193    HB3  TYR  31           HB3      TYR  31   2.088  -3.000   9.488
  194    HD1  TYR  31           HD1      TYR  31   5.083  -5.138   9.929
  195    HD2  TYR  31           HD2      TYR  31   0.917  -4.721  10.675
  196    HE1  TYR  31           HE1      TYR  31   5.186  -6.994  11.529
  197    HE2  TYR  31           HE2      TYR  31   1.017  -6.576  12.275
  198    HH   TYR  31           HH       TYR  31   3.942  -7.829  13.440
  199    H    TYR  32           H        TYR  32   4.700  -3.089   6.431
  200    HA   TYR  32           HA       TYR  32   3.171  -0.730   5.647
  201    HB2  TYR  32           HB2      TYR  32   5.338  -0.341   6.875
  202    HB3  TYR  32           HB3      TYR  32   6.169  -1.026   5.490
  203    HD1  TYR  32           HD1      TYR  32   3.900   1.724   6.478
  204    HD2  TYR  32           HD2      TYR  32   6.684   0.294   3.602
  205    HE1  TYR  32           HE1      TYR  32   3.864   3.909   5.379
  206    HE2  TYR  32           HE2      TYR  32   6.662   2.476   2.485
  207    HH   TYR  32           HH       TYR  32   5.232   5.235   3.950
  208    H    SER  33           H        SER  33   2.318  -0.805   3.774
  209    HA   SER  33           HA       SER  33   3.859  -1.842   1.519
  210    HB2  SER  33           HB2      SER  33   0.842  -1.836   1.885
  211    HB3  SER  33           HB3      SER  33   1.721  -2.540   0.528
  212    HG   SER  33           HG       SER  33   2.755  -3.600   2.698
  213    H    GLN  34           H        GLN  34   3.844  -0.377  -0.279
  214    HA   GLN  34           HA       GLN  34   2.762   2.264   0.435
  215    HB2  GLN  34           HB2      GLN  34   5.143   2.109   0.957
  216    HB3  GLN  34           HB3      GLN  34   5.487   1.611  -0.688
  217    HG2  GLN  34           HG2      GLN  34   4.805   3.764  -1.512
  218    HG3  GLN  34           HG3      GLN  34   4.345   4.278   0.116
  219   HE21  GLN  34          HE21      GLN  34   5.987   4.692   1.621
  220   HE22  GLN  34          HE22      GLN  34   7.620   4.928   1.126
  221    H    CYS  35           H        CYS  35   1.942   3.453  -1.213
  222    HA   CYS  35           HA       CYS  35   1.418   2.135  -3.700
  223    HB2  CYS  35           HB2      CYS  35   0.831   4.961  -2.811
  224    HB3  CYS  35           HB3      CYS  35   0.280   4.260  -4.330
  225    H    LEU  36           H        LEU  36   2.939   1.884  -5.050
  226    HA   LEU  36           HA       LEU  36   4.623   4.136  -5.804
  227    HB2  LEU  36           HB2      LEU  36   5.420   1.249  -5.467
  228    HB3  LEU  36           HB3      LEU  36   6.403   2.443  -6.283
  229    HG   LEU  36           HG       LEU  36   5.584   2.627  -3.384
  230   HD11  LEU  36          HD11      LEU  36   8.202   1.751  -4.607
  231   HD12  LEU  36          HD12      LEU  36   7.054   0.711  -3.760
  232   HD13  LEU  36          HD13      LEU  36   7.887   1.998  -2.886
  233   HD21  LEU  36          HD21      LEU  36   7.591   4.176  -5.024
  234   HD22  LEU  36          HD22      LEU  36   7.330   4.343  -3.290
  235   HD23  LEU  36          HD23      LEU  36   6.051   4.787  -4.418
  236    H1   MAN 101           H1       MAN 101  -5.875   9.099  -6.038
  237    H2   MAN 101           H2       MAN 101  -6.526  11.485  -4.308
  238    H3   MAN 101           H3       MAN 101  -7.289  12.508  -6.254
  239    H4   MAN 101           H4       MAN 101  -5.448  10.584  -7.702
  240    H5   MAN 101           H5       MAN 101  -8.534  10.860  -7.819
  241    H61  MAN 101           H61      MAN 101  -6.611   8.584  -8.432
  242    H62  MAN 101           H62      MAN 101  -7.657   9.448  -9.583
  243    HO2  MAN 101           HO2      MAN 101  -4.296  11.820  -4.928
  244    HO3  MAN 101           HO3      MAN 101  -5.309  13.492  -5.660
  245    HO4  MAN 101           HO4      MAN 101  -6.307  11.553  -9.595
  246    HO6  MAN 101           HO6      MAN 101  -9.006   8.470  -7.396
  Start of MODEL   20
    1    H1   THR   1           H1       THR   1  -8.698   7.695  -2.468
    2    H2   THR   1           H2       THR   1  -9.291   7.248  -3.977
    3    H3   THR   1           H3       THR   1  -8.091   8.440  -3.850
    4    HA   THR   1           HA       THR   1  -7.762   5.621  -3.151
    5    HB   THR   1           HB       THR   1  -6.075   5.830  -5.104
    6   HG21  THR   1          HG21      THR   1  -7.809   5.275  -6.773
    7   HG22  THR   1          HG22      THR   1  -9.018   6.103  -5.838
    8   HG23  THR   1          HG23      THR   1  -8.308   4.603  -5.214
    9    H    GLN   2           H        GLN   2  -5.376   5.183  -2.708
   10    HA   GLN   2           HA       GLN   2  -4.503   7.159  -0.808
   11    HB2  GLN   2           HB2      GLN   2  -4.377   4.791  -0.203
   12    HB3  GLN   2           HB3      GLN   2  -3.332   4.471  -1.575
   13    HG2  GLN   2           HG2      GLN   2  -2.033   4.534   0.465
   14    HG3  GLN   2           HG3      GLN   2  -1.592   5.882  -0.574
   15   HE21  GLN   2          HE21      GLN   2  -2.965   4.928   2.421
   16   HE22  GLN   2          HE22      GLN   2  -3.066   6.491   3.120
   17    H    SER   3           H        SER   3  -2.644   8.302  -0.850
   18    HA   SER   3           HA       SER   3  -1.901   9.359  -3.373
   19    HB2  SER   3           HB2      SER   3  -0.684   9.780  -0.656
   20    HB3  SER   3           HB3      SER   3  -0.554  10.862  -2.040
   21    HG   SER   3           HG       SER   3  -3.135  10.237  -1.438
   22    H    HIS   4           H        HIS   4   0.266   9.555  -4.160
   23    HA   HIS   4           HA       HIS   4   1.798   7.160  -4.232
   24    HB2  HIS   4           HB2      HIS   4   1.689   8.891  -6.055
   25    HB3  HIS   4           HB3      HIS   4   2.598   9.980  -5.023
   26    HD1  HIS   4           HD1      HIS   4   4.849  10.167  -6.066
   27    HD2  HIS   4           HD2      HIS   4   3.474   6.245  -6.075
   28    HE1  HIS   4           HE1      HIS   4   6.664   8.817  -7.136
   29    HE2  HIS   4           HE2      HIS   4   5.701   6.513  -7.353
   30    H    TYR   5           H        TYR   5   3.388   6.528  -2.888
   31    HA   TYR   5           HA       TYR   5   4.691   6.364  -1.128
   32    HB2  TYR   5           HB2      TYR   5   5.029   9.329  -1.492
   33    HB3  TYR   5           HB3      TYR   5   5.789   8.501  -0.136
   34    HD1  TYR   5           HD1      TYR   5   7.452   6.714  -0.630
   35    HD2  TYR   5           HD2      TYR   5   5.962   9.267  -3.664
   36    HE1  TYR   5           HE1      TYR   5   9.339   6.078  -2.067
   37    HE2  TYR   5           HE2      TYR   5   7.844   8.635  -5.117
   38    HH   TYR   5           HH       TYR   5  10.180   7.744  -4.798
   39    H    GLY   6           H        GLY   6   1.821   6.818  -0.970
   40    HA2  GLY   6           HA2      GLY   6   1.664   7.400   1.889
   41    HA3  GLY   6           HA3      GLY   6   0.292   7.288   0.774
   42    H    GLN   7           H        GLN   7   0.704   5.771   3.217
   43    HA   GLN   7           HA       GLN   7   1.497   3.143   2.407
   44    HB2  GLN   7           HB2      GLN   7   1.939   3.901   4.701
   45    HB3  GLN   7           HB3      GLN   7   0.219   4.107   4.981
   46    HG2  GLN   7           HG2      GLN   7  -0.138   1.719   4.794
   47    HG3  GLN   7           HG3      GLN   7   1.554   1.478   4.386
   48   HE21  GLN   7          HE21      GLN   7  -0.045   0.413   6.587
   49   HE22  GLN   7          HE22      GLN   7   0.741   0.876   8.041
   50    H    CYS   8           H        CYS   8   0.202   2.178   0.955
   51    HA   CYS   8           HA       CYS   8  -2.635   2.350   0.952
   52    HB2  CYS   8           HB2      CYS   8  -2.481   0.318  -0.567
   53    HB3  CYS   8           HB3      CYS   8  -1.606   1.740  -1.115
   54    H    GLY   9           H        GLY   9  -0.300   0.249   2.389
   55    HA2  GLY   9           HA2      GLY   9  -0.882  -0.497   4.604
   56    HA3  GLY   9           HA3      GLY   9  -2.520  -0.685   4.020
   57    H    GLY  10           H        GLY  10  -0.097  -2.289   5.143
   58    HA2  GLY  10           HA2      GLY  10  -0.496  -4.638   3.513
   59    HA3  GLY  10           HA3      GLY  10   0.711  -4.424   4.791
   60    H    ILE  11           H        ILE  11  -0.144  -6.374   5.712
   61    HA   ILE  11           HA       ILE  11  -2.748  -6.810   6.541
   62    HB   ILE  11           HB       ILE  11  -0.171  -7.649   7.901
   63   HG12  ILE  11          HG12      ILE  11  -1.928  -9.116   5.919
   64   HG13  ILE  11          HG13      ILE  11  -0.383  -8.367   5.543
   65   HG21  ILE  11          HG21      ILE  11  -2.052  -7.837   9.425
   66   HG22  ILE  11          HG22      ILE  11  -1.479  -9.435   8.941
   67   HG23  ILE  11          HG23      ILE  11  -2.955  -8.773   8.227
   68   HD11  ILE  11          HD11      ILE  11  -0.172 -10.771   5.792
   69   HD12  ILE  11          HD12      ILE  11  -0.824 -10.675   7.428
   70   HD13  ILE  11          HD13      ILE  11   0.733  -9.938   7.055
   71    H    GLY  12           H        GLY  12  -4.012  -5.749   7.915
   72    HA2  GLY  12           HA2      GLY  12  -4.422  -5.092  10.199
   73    HA3  GLY  12           HA3      GLY  12  -2.781  -4.467  10.258
   74    H    TYR  13           H        TYR  13  -3.172  -3.258   7.532
   75    HA   TYR  13           HA       TYR  13  -4.316  -0.798   8.570
   76    HB2  TYR  13           HB2      TYR  13  -2.118  -0.807   7.392
   77    HB3  TYR  13           HB3      TYR  13  -2.938  -1.336   5.935
   78    HD1  TYR  13           HD1      TYR  13  -2.106   1.490   8.059
   79    HD2  TYR  13           HD2      TYR  13  -4.458   0.269   4.734
   80    HE1  TYR  13           HE1      TYR  13  -2.400   3.845   7.406
   81    HE2  TYR  13           HE2      TYR  13  -4.769   2.603   4.081
   82    HH   TYR  13           HH       TYR  13  -2.922   5.121   5.289
   83    H    SER  14           H        SER  14  -6.455  -0.586   8.365
   84    HA   SER  14           HA       SER  14  -7.776  -1.739   6.025
   85    HB2  SER  14           HB2      SER  14  -9.821  -1.322   7.593
   86    HB3  SER  14           HB3      SER  14  -8.761  -2.704   7.870
   87    HG   SER  14           HG       SER  14  -9.074  -0.343   9.314
   88    H    GLY  15           H        GLY  15  -6.418   0.881   6.119
   89    HA2  GLY  15           HA2      GLY  15  -8.612   2.788   5.876
   90    HA3  GLY  15           HA3      GLY  15  -6.891   3.157   5.769
   91    HA   PRO  16           HA       PRO  16  -8.279   3.189   1.432
   92    HB2  PRO  16           HB2      PRO  16  -6.453   5.019   0.546
   93    HB3  PRO  16           HB3      PRO  16  -8.007   5.463   1.258
   94    HG2  PRO  16           HG2      PRO  16  -5.295   5.468   2.481
   95    HG3  PRO  16           HG3      PRO  16  -6.646   6.585   2.739
   96    HD2  PRO  16           HD2      PRO  16  -5.942   4.552   4.460
   97    HD3  PRO  16           HD3      PRO  16  -7.560   5.266   4.372
   98    H    THR  17           H        THR  17  -7.598   1.181   0.908
   99    HA   THR  17           HA       THR  17  -4.793   0.549   0.825
  100    HB   THR  17           HB       THR  17  -5.679  -1.720   0.178
  101    HG1  THR  17           HG1      THR  17  -8.130  -1.643   0.925
  102   HG21  THR  17          HG21      THR  17  -6.524  -2.232   2.427
  103   HG22  THR  17          HG22      THR  17  -6.781  -0.511   2.731
  104   HG23  THR  17          HG23      THR  17  -5.147  -1.133   2.528
  105    H    VAL  18           H        VAL  18  -7.296   1.525  -1.307
  106    HA   VAL  18           HA       VAL  18  -6.067   0.424  -3.673
  107    HB   VAL  18           HB       VAL  18  -8.308   2.465  -3.469
  108   HG11  VAL  18          HG11      VAL  18  -8.842   1.802  -5.765
  109   HG12  VAL  18          HG12      VAL  18  -7.439   0.734  -5.785
  110   HG13  VAL  18          HG13      VAL  18  -7.215   2.479  -5.646
  111   HG21  VAL  18          HG21      VAL  18  -9.837   0.591  -3.864
  112   HG22  VAL  18          HG22      VAL  18  -8.920   0.357  -2.372
  113   HG23  VAL  18          HG23      VAL  18  -8.479  -0.529  -3.826
  114    H    CYS  19           H        CYS  19  -4.403   1.312  -4.590
  115    HA   CYS  19           HA       CYS  19  -3.408   3.841  -3.775
  116    HB2  CYS  19           HB2      CYS  19  -2.448   1.834  -5.792
  117    HB3  CYS  19           HB3      CYS  19  -1.610   3.345  -5.446
  118    H    ALA  20           H        ALA  20  -2.758   5.524  -5.159
  119    HA   ALA  20           HA       ALA  20  -4.695   6.661  -6.737
  120    HB1  ALA  20           HB1      ALA  20  -1.709   7.119  -6.806
  121    HB2  ALA  20           HB2      ALA  20  -2.840   7.895  -5.701
  122    HB3  ALA  20           HB3      ALA  20  -2.938   8.217  -7.434
  123    H    SER  21           H        SER  21  -4.817   6.984  -8.966
  124    HA   SER  21           HA       SER  21  -4.445   4.634 -10.471
  125    HB2  SER  21           HB2      SER  21  -5.104   7.437 -11.404
  126    HB3  SER  21           HB3      SER  21  -5.460   5.925 -12.248
  127    HG   SER  21           HG       SER  21  -6.547   5.465 -10.049
  128    H    GLY  22           H        GLY  22  -2.541   3.967 -11.137
  129    HA2  GLY  22           HA2      GLY  22  -0.746   4.276 -12.731
  130    HA3  GLY  22           HA3      GLY  22  -0.646   5.952 -12.204
  131    H    THR  23           H        THR  23  -1.175   4.168  -9.484
  132    HA   THR  23           HA       THR  23   1.698   3.708  -9.054
  133    HB   THR  23           HB       THR  23   1.407   4.343  -6.675
  134    HG1  THR  23           HG1      THR  23  -1.273   4.705  -7.503
  135   HG21  THR  23          HG21      THR  23   2.079   6.094  -8.239
  136   HG22  THR  23          HG22      THR  23   1.068   6.753  -6.953
  137   HG23  THR  23          HG23      THR  23   0.384   6.465  -8.556
  138    H    THR  24           H        THR  24   2.207   1.910  -7.639
  139    HA   THR  24           HA       THR  24  -0.007  -0.009  -7.510
  140    HB   THR  24           HB       THR  24   1.798  -1.783  -7.580
  141    HG1  THR  24           HG1      THR  24   3.382   0.508  -7.702
  142   HG21  THR  24          HG21      THR  24   0.509  -1.224  -9.597
  143   HG22  THR  24          HG22      THR  24   2.176  -1.619 -10.008
  144   HG23  THR  24          HG23      THR  24   1.654   0.065  -9.970
  145    H    CYS  25           H        CYS  25  -0.211  -1.298  -5.620
  146    HA   CYS  25           HA       CYS  25   0.830  -0.031  -3.247
  147    HB2  CYS  25           HB2      CYS  25  -1.527  -0.842  -3.326
  148    HB3  CYS  25           HB3      CYS  25  -0.953  -2.481  -3.583
  149    H    GLN  26           H        GLN  26   2.967  -0.464  -3.005
  150    HA   GLN  26           HA       GLN  26   3.824  -3.170  -3.599
  151    HB2  GLN  26           HB2      GLN  26   5.481  -0.694  -3.169
  152    HB3  GLN  26           HB3      GLN  26   6.119  -2.285  -3.560
  153    HG2  GLN  26           HG2      GLN  26   4.776  -2.240  -5.654
  154    HG3  GLN  26           HG3      GLN  26   4.342  -0.576  -5.275
  155   HE21  GLN  26          HE21      GLN  26   5.324   0.197  -7.123
  156   HE22  GLN  26          HE22      GLN  26   7.031   0.292  -7.298
  157    H    VAL  27           H        VAL  27   4.079  -4.546  -2.139
  158    HA   VAL  27           HA       VAL  27   4.031  -3.974   0.642
  159    HB   VAL  27           HB       VAL  27   4.765  -6.562  -0.777
  160   HG11  VAL  27          HG11      VAL  27   4.166  -7.666   1.329
  161   HG12  VAL  27          HG12      VAL  27   3.917  -6.091   2.079
  162   HG13  VAL  27          HG13      VAL  27   5.525  -6.561   1.531
  163   HG21  VAL  27          HG21      VAL  27   2.451  -7.248  -0.364
  164   HG22  VAL  27          HG22      VAL  27   2.521  -5.808  -1.384
  165   HG23  VAL  27          HG23      VAL  27   2.110  -5.664   0.325
  166    H    LEU  28           H        LEU  28   5.701  -2.870   1.379
  167    HA   LEU  28           HA       LEU  28   8.407  -3.458   0.530
  168    HB2  LEU  28           HB2      LEU  28   7.319  -1.466   2.520
  169    HB3  LEU  28           HB3      LEU  28   8.997  -1.560   2.019
  170    HG   LEU  28           HG       LEU  28   6.666  -0.858   0.217
  171   HD11  LEU  28          HD11      LEU  28   8.851   0.866   1.367
  172   HD12  LEU  28          HD12      LEU  28   7.144   0.903   1.810
  173   HD13  LEU  28          HD13      LEU  28   7.642   1.376   0.189
  174   HD21  LEU  28          HD21      LEU  28   9.622  -0.862  -0.285
  175   HD22  LEU  28          HD22      LEU  28   8.390  -0.263  -1.399
  176   HD23  LEU  28          HD23      LEU  28   8.453  -1.982  -0.993
  177    H    ASN  29           H        ASN  29   6.356  -3.661   3.353
  178    HA   ASN  29           HA       ASN  29   8.131  -5.666   4.523
  179    HB2  ASN  29           HB2      ASN  29   6.791  -3.409   6.084
  180    HB3  ASN  29           HB3      ASN  29   7.727  -4.716   6.762
  181   HD21  ASN  29          HD21      ASN  29   8.126  -1.852   7.033
  182   HD22  ASN  29          HD22      ASN  29   9.719  -1.563   6.439
  183    HA   PRO  30           HA       PRO  30   4.445  -8.091   5.023
  184    HB2  PRO  30           HB2      PRO  30   4.635  -7.872   7.994
  185    HB3  PRO  30           HB3      PRO  30   4.435  -9.313   6.985
  186    HG2  PRO  30           HG2      PRO  30   6.791  -8.752   8.060
  187    HG3  PRO  30           HG3      PRO  30   6.687  -9.372   6.403
  188    HD2  PRO  30           HD2      PRO  30   7.217  -6.607   7.369
  189    HD3  PRO  30           HD3      PRO  30   7.888  -7.443   5.955
  190    H    TYR  31           H        TYR  31   4.513  -5.375   7.317
  191    HA   TYR  31           HA       TYR  31   1.601  -5.185   7.057
  192    HB2  TYR  31           HB2      TYR  31   3.380  -3.891   9.142
  193    HB3  TYR  31           HB3      TYR  31   1.629  -3.901   9.106
  194    HD1  TYR  31           HD1      TYR  31   0.417  -6.069   9.418
  195    HD2  TYR  31           HD2      TYR  31   4.591  -5.715  10.115
  196    HE1  TYR  31           HE1      TYR  31   0.369  -8.144  10.715
  197    HE2  TYR  31           HE2      TYR  31   4.551  -7.800  11.420
  198    HH   TYR  31           HH       TYR  31   2.878  -9.130  12.697
  199    H    TYR  32           H        TYR  32   4.528  -3.673   6.156
  200    HA   TYR  32           HA       TYR  32   3.178  -1.110   5.684
  201    HB2  TYR  32           HB2      TYR  32   5.344  -1.057   6.909
  202    HB3  TYR  32           HB3      TYR  32   6.122  -1.738   5.491
  203    HD1  TYR  32           HD1      TYR  32   3.811   1.118   6.179
  204    HD2  TYR  32           HD2      TYR  32   7.378  -0.215   4.279
  205    HE1  TYR  32           HE1      TYR  32   4.259   3.405   5.422
  206    HE2  TYR  32           HE2      TYR  32   7.810   2.084   3.500
  207    HH   TYR  32           HH       TYR  32   6.043   4.741   4.745
  208    H    SER  33           H        SER  33   2.312  -0.912   3.814
  209    HA   SER  33           HA       SER  33   3.797  -1.722   1.448
  210    HB2  SER  33           HB2      SER  33   0.808  -1.979   1.865
  211    HB3  SER  33           HB3      SER  33   1.691  -2.422   0.405
  212    HG   SER  33           HG       SER  33   2.837  -3.673   2.452
  213    H    GLN  34           H        GLN  34   3.789  -0.123  -0.079
  214    HA   GLN  34           HA       GLN  34   2.271   2.274   0.594
  215    HB2  GLN  34           HB2      GLN  34   4.410   2.610   1.585
  216    HB3  GLN  34           HB3      GLN  34   5.238   2.043   0.148
  217    HG2  GLN  34           HG2      GLN  34   4.750   4.000  -1.025
  218    HG3  GLN  34           HG3      GLN  34   3.550   4.517   0.168
  219   HE21  GLN  34          HE21      GLN  34   6.913   4.196  -0.542
  220   HE22  GLN  34          HE22      GLN  34   7.473   5.191   0.742
  221    H    CYS  35           H        CYS  35   1.685   3.579  -1.083
  222    HA   CYS  35           HA       CYS  35   1.431   2.292  -3.614
  223    HB2  CYS  35           HB2      CYS  35   0.650   5.063  -2.729
  224    HB3  CYS  35           HB3      CYS  35   0.203   4.329  -4.267
  225    H    LEU  36           H        LEU  36   3.076   2.144  -4.829
  226    HA   LEU  36           HA       LEU  36   4.688   4.503  -5.391
  227    HB2  LEU  36           HB2      LEU  36   5.561   1.607  -5.327
  228    HB3  LEU  36           HB3      LEU  36   6.569   2.970  -5.759
  229    HG   LEU  36           HG       LEU  36   5.393   2.472  -3.026
  230   HD11  LEU  36          HD11      LEU  36   7.158   0.888  -3.574
  231   HD12  LEU  36          HD12      LEU  36   7.674   2.043  -2.345
  232   HD13  LEU  36          HD13      LEU  36   8.227   2.225  -4.012
  233   HD21  LEU  36          HD21      LEU  36   7.261   4.596  -4.039
  234   HD22  LEU  36          HD22      LEU  36   6.877   4.313  -2.349
  235   HD23  LEU  36          HD23      LEU  36   5.610   4.831  -3.462
  236    H1   MAN 101           H1       MAN 101  -6.773   6.908  -7.605
  237    H2   MAN 101           H2       MAN 101  -6.269   9.793  -6.874
  238    H3   MAN 101           H3       MAN 101  -7.965  10.400  -8.321
  239    H4   MAN 101           H4       MAN 101  -7.297   7.846  -9.846
  240    H5   MAN 101           H5       MAN 101  -9.947   8.637  -8.527
  241    H61  MAN 101           H61      MAN 101  -8.582   5.987  -9.080
  242    H62  MAN 101           H62      MAN 101  -9.973   6.647  -9.967
  243    HO2  MAN 101           HO2      MAN 101  -4.982   9.467  -8.717
  244    HO3  MAN 101           HO3      MAN 101  -6.869  10.680 -10.367
  245    HO4  MAN 101           HO4      MAN 101  -9.239   9.913 -10.371
  246    HO6  MAN 101           HO6      MAN 101 -10.290   6.669  -7.237