*HEADER    TRANSCRIPTION                           09-JAN-08   2RNJ              
*TITLE     NMR STRUCTURE OF THE S. AUREUS VRAR DNA BINDING DOMAIN                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: RESPONSE REGULATOR PROTEIN VRAR;                           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: HTH LUXR-TYPE DOMAIN, UNP RESIDUES 138-209;                
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS;                          
*SOURCE   3 STRAIN: MU50;                                                        
*SOURCE   4 GENE: VRAR;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21:DE3;                                  
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PET15B;                                    
*SOURCE   9 OTHER_DETAILS: CLONED AS NDEI/BAMHI FRAGMENT                         
*KEYWDS    HTH LUXR-TYPE DOMAIN, DNA BINDING DOMAIN, ACTIVATOR,                  
*KEYWDS   2 ANTIBIOTIC RESISTANCE, CYTOPLASM, DNA-BINDING,                       
*KEYWDS   3 PHOSPHOPROTEIN, PHOSPHORYLATION, TRANSCRIPTION,                      
*KEYWDS   4 TRANSCRIPTION REGULATION, TWO-COMPONENT REGULATORY SYSTEM            
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    L.W.DONALDSON                                                         
*REVDAT   1   22-JAN-08 2RNJ    0 

assign ( resid    8 and name    HN )
       ( resid    8 and name   HE* )
        4.57  2.77  0.00 peak 10000 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    8 and name    HN )
       ( resid    8 and name    HA )
        4.15  2.35  0.00 peak 10001 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    8 and name    HN )
       ( resid    8 and name   HB2 )
        4.11  2.31  0.00 peak 10002 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    8 and name    HN )
       ( resid    8 and name   HB1 )
        4.11  2.31  0.00 peak 10003 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    7 and name   HB2 )
       ( resid    8 and name    HN )
        3.68  1.88  0.00 peak 10004 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    8 and name    HN )
       ( resid   53 and name  HD2# )
        4.26  2.46  0.00 peak 10005 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    9 and name    HN )
       ( resid   10 and name    HN )
        4.27  2.47  0.00 peak 10006 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    9 and name    HN )
       ( resid    9 and name    HA )
        4.41  2.61  0.00 peak 10007 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    8 and name    HA )
       ( resid   10 and name    HN )
        4.34  2.54  0.00 peak 10013 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   10 and name    HN )
       ( resid   10 and name   HB2 )
        4.54  2.74  0.00 peak 10014 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   10 and name    HN )
       ( resid   11 and name    HN )
        4.20  2.40  0.00 peak 10017 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   10 and name    HA )
       ( resid   11 and name    HN )
        3.83  2.03  0.00 peak 10018 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    9 and name    HA )
       ( resid   11 and name    HN )
        4.43  2.63  0.00 peak 10019 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   11 and name    HN )
       ( resid   11 and name   HB2 )
        4.13  2.33  0.00 peak 10021 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   11 and name    HN )
       ( resid   11 and name  HD1# )
        4.14  2.34  0.00 peak 10022 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   11 and name   HB2 )
       ( resid   12 and name    HN )
        4.03  2.23  0.00 peak 10025 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   12 and name    HN )
       ( resid   12 and name  HG2# )
        3.70  1.90  0.00 peak 10026 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   15 and name    HN )
       ( resid   15 and name    HA )
        3.92  2.12  0.00 peak 10029 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   14 and name   HB2 )
       ( resid   15 and name    HN )
        4.09  2.29  0.00 peak 10032 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   16 and name    HN )
       ( resid   17 and name    HN )
        3.63  1.83  0.00 peak 10033 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   15 and name    HN )
       ( resid   16 and name    HN )
        3.69  1.89  0.00 peak 10034 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   16 and name    HN )
       ( resid   16 and name    HA )
        4.00  2.20  0.00 peak 10035 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   16 and name    HN )
       ( resid   16 and name   HB1 )
        3.66  1.86  0.00 peak 10036 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   11 and name   HB1 )
       ( resid   16 and name    HN )
        3.52  1.72  0.00 peak 10037 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   11 and name   HB2 )
       ( resid   16 and name    HN )
        4.13  2.33  0.00 peak 10038 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   11 and name  HD2# )
       ( resid   16 and name    HN )
        4.33  2.53  0.00 peak 10039 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   61 and name   HB* )
       ( resid   62 and name    HN )
        3.52  1.72  0.00 peak 10043 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name    HN )
       ( resid   62 and name  HG1# )
        4.16  2.36  0.00 peak 10045 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name    HN )
       ( resid   18 and name    HA )
        3.96  2.16  0.00 peak 10047 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name    HN )
       ( resid   18 and name    HB )
        3.35  1.55  0.00 peak 10049 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name    HN )
       ( resid   18 and name  HG1* )
        4.46  2.66  0.00 peak 10050 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name    HN )
       ( resid   18 and name  HG1* )
        4.26  2.46  0.00 peak 10051 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name    HN )
       ( resid   18 and name  HG2# )
        3.89  2.09  0.00 peak 10052 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   19 and name    HN )
       ( resid   20 and name    HN )
        3.95  2.15  0.00 peak 10053 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name    HN )
       ( resid   19 and name    HN )
        4.11  2.31  0.00 peak 10054 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name    HA )
       ( resid   19 and name    HN )
        4.46  2.66  0.00 peak 10056 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name    HB )
       ( resid   19 and name    HN )
        3.90  2.10  0.00 peak 10058 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   20 and name    HN )
       ( resid   21 and name    HN )
        4.40  2.60  0.00 peak 10062 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   20 and name    HN )
       ( resid   20 and name    HA )
        3.70  1.90  0.00 peak 10063 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   20 and name    HN )
       ( resid   20 and name   HB1 )
        3.84  2.04  0.00 peak 10065 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   20 and name    HN )
       ( resid   20 and name  HD2# )
        4.11  2.31  0.00 peak 10066 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   20 and name    HN )
       ( resid   20 and name   HB2 )
        3.51  1.71  0.00 peak 10067 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   21 and name    HN )
       ( resid   22 and name    HN )
        3.71  1.91  0.00 peak 10068 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   21 and name    HN )
       ( resid   21 and name    HA )
        3.62  1.82  0.00 peak 10070 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name    HA )
       ( resid   21 and name    HN )
        4.54  2.74  0.00 peak 10071 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   20 and name   HB2 )
       ( resid   21 and name    HN )
        4.13  2.33  0.00 peak 10073 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   21 and name    HN )
       ( resid   21 and name  HD2# )
        4.48  2.68  0.00 peak 10075 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HN )
       ( resid   49 and name    HA )
        4.08  2.28  0.00 peak 10077 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   22 and name    HN )
       ( resid   23 and name    HN )
        4.52  2.72  0.00 peak 10080 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   23 and name    HN )
       ( resid   24 and name    HN )
        3.85  2.05  0.00 peak 10081 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   23 and name    HN )
       ( resid   23 and name    HA )
        3.98  2.18  0.00 peak 10082 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   20 and name    HA )
       ( resid   23 and name    HN )
        4.12  2.32  0.00 peak 10083 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   22 and name    HB )
       ( resid   23 and name    HN )
        4.41  2.61  0.00 peak 10084 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   23 and name    HN )
       ( resid   23 and name   HB* )
        3.82  2.02  0.00 peak 10085 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   22 and name  HG2# )
       ( resid   23 and name    HN )
        3.73  1.93  0.00 peak 10087 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   24 and name    HN )
       ( resid   24 and name   HB1 )
        3.56  1.76  0.00 peak 10093 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   24 and name    HN )
       ( resid   25 and name    HN )
        3.54  1.74  0.00 peak 10096 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   25 and name    HN )
       ( resid   25 and name   HA2 )
        3.29  1.49  0.00 peak 10098 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   24 and name   HB1 )
       ( resid   25 and name    HN )
        4.48  2.68  0.00 peak 10099 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   25 and name    HN )
       ( resid   62 and name  HG1# )
        4.18  2.38  0.00 peak 10100 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   25 and name    HN )
       ( resid   26 and name    HN )
        3.43  1.63  0.00 peak 10101 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   26 and name    HN )
       ( resid   26 and name    HA )
        4.49  2.69  0.00 peak 10105 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   26 and name    HN )
       ( resid   26 and name   HB1 )
        3.94  2.14  0.00 peak 10106 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   26 and name    HN )
       ( resid   26 and name   HB2 )
        3.29  1.49  0.00 peak 10107 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   26 and name    HN )
       ( resid   62 and name  HG1# )
        4.49  2.69  0.00 peak 10108 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   26 and name   HB1 )
       ( resid   27 and name    HN )
        4.53  2.73  0.00 peak 10113 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   26 and name   HB2 )
       ( resid   27 and name    HN )
        4.47  2.67  0.00 peak 10114 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   44 and name    HN )
       ( resid   44 and name    HA )
        3.41  1.61  0.00 peak 10120 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   44 and name    HN )
       ( resid   44 and name    HB )
        4.02  2.22  0.00 peak 10121 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   44 and name    HN )
       ( resid   44 and name  HG2# )
        4.16  2.36  0.00 peak 10124 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   31 and name    HN )
       ( resid   31 and name    HA )
        4.31  2.51  0.00 peak 10128 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   31 and name    HN )
       ( resid   31 and name  HG2# )
        3.85  2.05  0.00 peak 10132 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   31 and name    HN )
       ( resid   32 and name    HN )
        3.88  2.08  0.00 peak 10133 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name    HN )
       ( resid   32 and name    HA )
        3.69  1.89  0.00 peak 10136 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   31 and name    HA )
       ( resid   32 and name    HN )
        4.34  2.54  0.00 peak 10137 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   31 and name    HB )
       ( resid   32 and name    HN )
        3.54  1.74  0.00 peak 10138 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name    HN )
       ( resid   32 and name   HB* )
        3.70  1.90  0.00 peak 10139 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name    HN )
       ( resid   42 and name  HG1# )
        3.62  1.82  0.00 peak 10140 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   31 and name  HG2# )
       ( resid   32 and name    HN )
        3.98  2.18  0.00 peak 10141 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name    HN )
       ( resid   33 and name    HN )
        3.67  1.87  0.00 peak 10142 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   33 and name    HN )
       ( resid   33 and name    HA )
        3.45  1.65  0.00 peak 10143 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   33 and name    HN )
       ( resid   33 and name   HB1 )
        3.45  1.65  0.00 peak 10144 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name   HB* )
       ( resid   33 and name    HN )
        3.15  1.35  0.00 peak 10145 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name    HN )
       ( resid   34 and name    HA )
        3.64  1.84  0.00 peak 10146 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   33 and name   HB1 )
       ( resid   34 and name    HN )
        4.45  2.65  0.00 peak 10147 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   31 and name    HA )
       ( resid   34 and name    HN )
        4.32  2.52  0.00 peak 10148 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name    HN )
       ( resid   34 and name   HB* )
        3.45  1.65  0.00 peak 10149 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name   HB* )
       ( resid   35 and name    HN )
        3.88  2.08  0.00 peak 10154 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name    HN )
       ( resid   37 and name    HA )
        3.82  2.02  0.00 peak 10156 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   36 and name    HA )
       ( resid   37 and name    HN )
        3.47  1.67  0.00 peak 10157 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name    HA )
       ( resid   37 and name    HN )
        4.34  2.54  0.00 peak 10158 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name    HN )
       ( resid   37 and name    HB )
        4.38  2.58  0.00 peak 10159 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name    HN )
       ( resid   37 and name  HD1# )
        4.63  2.83  0.00 peak 10162 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name    HA )
       ( resid   38 and name    HN )
        3.37  1.57  0.00 peak 10163 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   38 and name    HN )
       ( resid   38 and name    HB )
        3.98  2.18  0.00 peak 10165 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   38 and name    HN )
       ( resid   38 and name  HG2# )
        4.29  2.49  0.00 peak 10167 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   38 and name    HN )
       ( resid   39 and name  HG2# )
        4.06  2.26  0.00 peak 10168 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   38 and name    HN )
       ( resid   38 and name    HA )
        4.12  2.32  0.00 peak 10169 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name    HA )
       ( resid   42 and name    HN )
        4.30  2.50  0.00 peak 10172 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   42 and name    HN )
       ( resid   42 and name    HA )
        3.80  2.00  0.00 peak 10174 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   42 and name    HN )
       ( resid   42 and name  HG1# )
        3.32  1.52  0.00 peak 10176 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   43 and name    HN )
       ( resid   44 and name    HN )
        4.22  2.42  0.00 peak 10180 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   43 and name    HN )
       ( resid   43 and name   HD2 )
        3.13  1.33  0.00 peak 10184 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   45 and name    HN )
       ( resid   46 and name    HN )
        4.05  2.25  0.00 peak 10188 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   44 and name    HN )
       ( resid   45 and name    HN )
        3.74  1.94  0.00 peak 10189 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   45 and name    HN )
       ( resid   45 and name    HA )
        4.11  2.31  0.00 peak 10190 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   44 and name    HA )
       ( resid   45 and name    HN )
        3.82  2.02  0.00 peak 10191 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   44 and name    HB )
       ( resid   45 and name    HN )
        4.59  2.79  0.00 peak 10192 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   45 and name    HN )
       ( resid   45 and name   HB2 )
        3.55  1.75  0.00 peak 10193 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   44 and name  HG2# )
       ( resid   45 and name    HN )
        4.47  2.67  0.00 peak 10195 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   42 and name    HA )
       ( resid   46 and name    HN )
        3.53  1.73  0.00 peak 10198 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   45 and name   HB1 )
       ( resid   46 and name    HN )
        4.27  2.47  0.00 peak 10199 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   46 and name    HN )
       ( resid   47 and name    HN )
        3.97  2.17  0.00 peak 10202 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   48 and name    HN )
       ( resid   49 and name    HN )
        3.88  2.08  0.00 peak 10206 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   48 and name    HN )
       ( resid   48 and name    HA )
        4.22  2.42  0.00 peak 10207 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   48 and name    HN )
       ( resid   48 and name   HB2 )
        4.01  2.21  0.00 peak 10209 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   48 and name    HN )
       ( resid   48 and name   HB1 )
        3.83  2.03  0.00 peak 10210 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HN )
       ( resid   49 and name    HB )
        3.30  1.50  0.00 peak 10213 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   22 and name    HN )
       ( resid   22 and name  HG2# )
        3.34  1.54  0.00 peak 10214 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HN )
       ( resid   50 and name    HN )
        3.90  2.10  0.00 peak 10215 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name    HN )
       ( resid   51 and name    HN )
        3.80  2.00  0.00 peak 10216 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   47 and name    HA )
       ( resid   50 and name    HN )
        4.27  2.47  0.00 peak 10217 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name    HN )
       ( resid   50 and name    HA )
        3.85  2.05  0.00 peak 10218 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name    HN )
       ( resid   50 and name   HB2 )
        3.59  1.79  0.00 peak 10220 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name    HN )
       ( resid   50 and name   HB1 )
        3.78  1.98  0.00 peak 10221 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name  HG1* )
       ( resid   50 and name    HN )
        3.79  1.99  0.00 peak 10222 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name    HN )
       ( resid   50 and name  HD2# )
        4.32  2.52  0.00 peak 10223 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   48 and name    HA )
       ( resid   51 and name    HN )
        4.44  2.64  0.00 peak 10225 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   51 and name    HN )
       ( resid   51 and name   HB1 )
        3.52  1.72  0.00 peak 10226 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   51 and name    HN )
       ( resid   51 and name    HA )
        3.64  1.84  0.00 peak 10227 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name    HA )
       ( resid   51 and name    HN )
        4.53  2.73  0.00 peak 10228 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name   HB2 )
       ( resid   51 and name    HN )
        3.78  1.98  0.00 peak 10230 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name   HB1 )
       ( resid   51 and name    HN )
        3.93  2.13  0.00 peak 10231 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   51 and name    HN )
       ( resid   52 and name    HN )
        3.93  2.13  0.00 peak 10234 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   51 and name   HB1 )
       ( resid   52 and name    HN )
        3.60  1.80  0.00 peak 10235 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   51 and name    HA )
       ( resid   52 and name    HN )
        4.47  2.67  0.00 peak 10237 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   52 and name    HN )
       ( resid   53 and name    HN )
        3.84  2.04  0.00 peak 10241 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name    HN )
       ( resid   53 and name    HA )
        3.64  1.84  0.00 peak 10243 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name    HN )
       ( resid   53 and name   HB2 )
        3.50  1.70  0.00 peak 10245 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name    HN )
       ( resid   53 and name   HB1 )
        3.78  1.98  0.00 peak 10246 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name    HN )
       ( resid   53 and name  HD1# )
        4.13  2.33  0.00 peak 10248 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name    HN )
       ( resid   53 and name  HD2# )
        4.54  2.74  0.00 peak 10249 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name    HN )
       ( resid   54 and name    HN )
        3.20  1.40  0.00 peak 10250 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   51 and name    HA )
       ( resid   54 and name    HN )
        4.51  2.71  0.00 peak 10251 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   54 and name    HN )
       ( resid   54 and name    HA )
        4.18  2.38  0.00 peak 10252 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name   HB2 )
       ( resid   54 and name    HN )
        4.53  2.73  0.00 peak 10255 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   54 and name    HN )
       ( resid   55 and name    HN )
        3.91  2.11  0.00 peak 10258 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   55 and name    HN )
       ( resid   55 and name    HA )
        3.98  2.18  0.00 peak 10259 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   54 and name    HA )
       ( resid   55 and name    HN )
        3.39  1.59  0.00 peak 10260 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   54 and name   HB1 )
       ( resid   55 and name    HN )
        4.47  2.67  0.00 peak 10261 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name   HB2 )
       ( resid   55 and name    HN )
        4.40  2.60  0.00 peak 10262 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   55 and name    HN )
       ( resid   55 and name  HG1# )
        3.74  1.94  0.00 peak 10263 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name  HD1# )
       ( resid   57 and name    HN )
        3.68  1.88  0.00 peak 10270 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name  HD2# )
       ( resid   57 and name    HN )
        4.34  2.54  0.00 peak 10271 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   59 and name    HN )
       ( resid   59 and name    HA )
        3.65  1.85  0.00 peak 10275 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   17 and name    HN )
       ( resid   17 and name   HB1 )
        3.88  2.08  0.00 peak 10277 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name    HN )
       ( resid   60 and name    HA )
        4.03  2.23  0.00 peak 10283 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   59 and name    HB )
       ( resid   60 and name    HN )
        4.51  2.71  0.00 peak 10284 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name    HN )
       ( resid   60 and name   HB2 )
        3.71  1.91  0.00 peak 10285 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name    HN )
       ( resid   60 and name   HB1 )
        4.37  2.57  0.00 peak 10286 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   59 and name  HG2# )
       ( resid   60 and name    HN )
        4.48  2.68  0.00 peak 10288 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name    HN )
       ( resid   61 and name    HN )
        3.70  1.90  0.00 peak 10289 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   61 and name    HN )
       ( resid   61 and name    HA )
        4.01  2.21  0.00 peak 10290 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   61 and name    HN )
       ( resid   61 and name   HB* )
        3.43  1.63  0.00 peak 10293 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   55 and name  HG1# )
       ( resid   61 and name    HN )
        3.98  2.18  0.00 peak 10294 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name  HD2# )
       ( resid   61 and name    HN )
        4.42  2.62  0.00 peak 10295 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name    HN )
       ( resid   62 and name    HA )
        3.65  1.85  0.00 peak 10296 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name    HN )
       ( resid   62 and name    HB )
        3.39  1.59  0.00 peak 10297 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name    HN )
       ( resid   63 and name    HN )
        4.51  2.71  0.00 peak 10299 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   63 and name    HN )
       ( resid   63 and name    HA )
        4.38  2.58  0.00 peak 10301 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name    HB )
       ( resid   63 and name    HN )
        4.21  2.41  0.00 peak 10302 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   63 and name    HN )
       ( resid   63 and name    HB )
        3.45  1.65  0.00 peak 10303 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   63 and name    HN )
       ( resid   63 and name  HG1* )
        4.12  2.32  0.00 peak 10304 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   63 and name    HN )
       ( resid   64 and name    HN )
        3.84  2.04  0.00 peak 10305 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   64 and name    HN )
       ( resid   64 and name    HA )
        3.67  1.87  0.00 peak 10306 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   64 and name    HN )
       ( resid   64 and name   HB2 )
        3.37  1.57  0.00 peak 10307 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   64 and name    HN )
       ( resid   64 and name   HB1 )
        3.40  1.60  0.00 peak 10308 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   63 and name  HG2# )
       ( resid   64 and name    HN )
        4.42  2.62  0.00 peak 10311 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   64 and name   HD* )
       ( resid   65 and name    HN )
        4.56  2.76  0.00 peak 10313 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name    HN )
       ( resid   65 and name    HA )
        3.79  1.99  0.00 peak 10314 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   64 and name    HA )
       ( resid   65 and name    HN )
        4.63  2.83  0.00 peak 10315 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   64 and name   HB2 )
       ( resid   65 and name    HN )
        4.00  2.20  0.00 peak 10316 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   64 and name   HB1 )
       ( resid   65 and name    HN )
        4.32  2.52  0.00 peak 10317 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name    HN )
       ( resid   65 and name   HB* )
        3.02  1.22  0.00 peak 10318 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   66 and name    HN )
       ( resid   67 and name    HN )
        3.64  1.84  0.00 peak 10319 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   66 and name    HN )
       ( resid   66 and name    HA )
        4.40  2.60  0.00 peak 10321 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name    HA )
       ( resid   66 and name    HN )
        4.44  2.64  0.00 peak 10322 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name   HB* )
       ( resid   66 and name    HN )
        3.51  1.71  0.00 peak 10324 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name    HN )
       ( resid   68 and name    HN )
        4.06  2.26  0.00 peak 10325 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   68 and name    HN )
       ( resid   68 and name    HA )
        4.61  2.81  0.00 peak 10328 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   68 and name    HN )
       ( resid   68 and name   HB1 )
        4.13  2.33  0.00 peak 10330 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   68 and name    HN )
       ( resid   68 and name   HB2 )
        3.79  1.99  0.00 peak 10331 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   69 and name    HN )
       ( resid   70 and name    HN )
        4.20  2.40  0.00 peak 10332 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   68 and name    HN )
       ( resid   69 and name    HN )
        4.31  2.51  0.00 peak 10333 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   69 and name    HN )
       ( resid   69 and name    HA )
        3.38  1.58  0.00 peak 10335 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   69 and name    HA )
       ( resid   70 and name    HN )
        3.95  2.15  0.00 peak 10338 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   70 and name    HN )
       ( resid   70 and name    HA )
        4.26  2.46  0.00 peak 10339 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   70 and name    HN )
       ( resid   70 and name  HD1# )
        4.51  2.71  0.00 peak 10341 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   70 and name    HN )
       ( resid   70 and name  HD2# )
        4.33  2.53  0.00 peak 10342 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   71 and name    HN )
       ( resid   71 and name    HA )
        3.56  1.76  0.00 peak 10346 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   71 and name    HN )
       ( resid   72 and name    HN )
        4.53  2.73  0.00 peak 10350 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   72 and name    HN )
       ( resid   72 and name    HA )
        3.91  2.11  0.00 peak 10352 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   71 and name    HA )
       ( resid   72 and name    HN )
        3.22  1.42  0.00 peak 10353 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   71 and name    HB )
       ( resid   72 and name    HN )
        4.59  2.79  0.00 peak 10356 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    7 and name   HB2 )
       ( resid   53 and name    HA )
        3.84  2.04  0.00 peak 20002 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    7 and name   HB1 )
       ( resid   53 and name   HB1 )
        3.45  1.65  0.00 peak 20003 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    7 and name  HD1# )
       ( resid    8 and name   HE* )
        4.46  2.66  0.00 peak 20005 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    7 and name   HB1 )
       ( resid    7 and name  HD1# )
        3.33  1.53  0.00 peak 20008 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name   HB1 )
       ( resid   53 and name  HD1# )
        3.65  1.85  0.00 peak 20010 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name   HB1 )
       ( resid   53 and name  HD2# )
        3.64  1.84  0.00 peak 20011 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    8 and name    HA )
       ( resid    8 and name   HB1 )
        3.91  2.11  0.00 peak 20013 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    8 and name    HA )
       ( resid   19 and name  HD2# )
        3.74  1.94  0.00 peak 20014 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    9 and name    HN )
       ( resid    9 and name    HA )
        4.39  2.59  0.00 peak 20018 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   19 and name   HB1 )
       ( resid   19 and name  HD1# )
        3.91  2.11  0.00 peak 20019 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   12 and name    HN )
       ( resid   12 and name  HG2# )
        3.77  1.97  0.00 peak 20026 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   14 and name    HA )
       ( resid   17 and name    HN )
        4.53  2.73  0.00 peak 20027 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   14 and name    HA )
       ( resid   14 and name   HG2 )
        3.49  1.69  0.00 peak 20029 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   14 and name    HA )
       ( resid   14 and name   HB2 )
        3.84  2.04  0.00 peak 20030 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   14 and name    HA )
       ( resid   14 and name   HB1 )
        4.29  2.49  0.00 peak 20031 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   14 and name    HA )
       ( resid   14 and name   HD3 )
        4.30  2.50  0.00 peak 20032 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   14 and name   HB1 )
       ( resid   14 and name   HD2 )
        3.96  2.16  0.00 peak 20036 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   14 and name   HB1 )
       ( resid   14 and name   HD3 )
        4.03  2.23  0.00 peak 20037 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   14 and name   HD3 )
       ( resid   18 and name  HD1# )
        4.33  2.53  0.00 peak 20038 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   14 and name   HD2 )
       ( resid   18 and name  HD1# )
        4.43  2.63  0.00 peak 20039 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   16 and name    HA )
       ( resid   16 and name   HB1 )
        4.00  2.20  0.00 peak 20041 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   11 and name  HD2# )
       ( resid   16 and name    HA )
        4.23  2.43  0.00 peak 20043 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   71 and name    HA )
       ( resid   72 and name    HN )
        3.96  2.16  0.00 peak 20044 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   71 and name    HN )
       ( resid   71 and name    HA )
        4.53  2.73  0.00 peak 20045 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   17 and name    HN )
       ( resid   17 and name   HB2 )
        4.38  2.58  0.00 peak 20046 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   17 and name    HA )
       ( resid   17 and name   HB2 )
        4.43  2.63  0.00 peak 20047 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name    HN )
       ( resid   18 and name    HA )
        4.20  2.40  0.00 peak 20049 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name    HA )
       ( resid   18 and name  HG1* )
        4.26  2.46  0.00 peak 20050 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name    HA )
       ( resid   18 and name    HB )
        3.54  1.74  0.00 peak 20051 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name    HA )
       ( resid   18 and name  HG1* )
        3.80  2.00  0.00 peak 20052 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name    HA )
       ( resid   18 and name  HG2# )
        3.37  1.57  0.00 peak 20053 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name    HA )
       ( resid   18 and name  HD1# )
        3.98  2.18  0.00 peak 20054 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name    HN )
       ( resid   18 and name    HB )
        3.82  2.02  0.00 peak 20055 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name    HB )
       ( resid   18 and name  HG1* )
        4.54  2.74  0.00 peak 20057 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name  HG2# )
       ( resid   18 and name    HB )
        3.38  1.58  0.00 peak 20059 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name    HB )
       ( resid   18 and name  HD1# )
        4.19  2.39  0.00 peak 20060 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name    HN )
       ( resid   18 and name  HG1* )
        4.38  2.58  0.00 peak 20061 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name    HN )
       ( resid   18 and name  HG1* )
        4.00  2.20  0.00 peak 20062 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name  HG2# )
       ( resid   18 and name  HG1* )
        3.38  1.58  0.00 peak 20065 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name  HG2# )
       ( resid   19 and name    HN )
        4.51  2.71  0.00 peak 20069 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name    HN )
       ( resid   18 and name  HG2# )
        4.51  2.71  0.00 peak 20070 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name  HG2# )
       ( resid   18 and name  HG1* )
        3.60  1.80  0.00 peak 20073 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name    HN )
       ( resid   18 and name  HD1# )
        4.24  2.44  0.00 peak 20074 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name  HD1# )
       ( resid   42 and name    HA )
        3.92  2.12  0.00 peak 20077 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name  HG1* )
       ( resid   18 and name  HD1# )
        3.69  1.89  0.00 peak 20081 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name  HD1# )
       ( resid   42 and name  HG1# )
        2.94  1.14  0.00 peak 20082 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name  HG2# )
       ( resid   18 and name  HD1# )
        2.69  0.89  0.00 peak 20083 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   20 and name    HN )
       ( resid   20 and name    HA )
        4.45  2.65  0.00 peak 20084 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   19 and name    HA )
       ( resid   22 and name    HB )
        4.43  2.63  0.00 peak 20085 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   20 and name    HA )
       ( resid   20 and name   HB2 )
        3.18  1.38  0.00 peak 20086 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   20 and name    HA )
       ( resid   20 and name  HD1# )
        4.13  2.33  0.00 peak 20087 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name    HN )
       ( resid   53 and name   HB2 )
        4.54  2.74  0.00 peak 20089 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   19 and name    HN )
       ( resid   19 and name  HD1# )
        4.28  2.48  0.00 peak 20090 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   19 and name  HD1# )
       ( resid   53 and name  HD1# )
        3.21  1.41  0.00 peak 20095 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   20 and name    HN )
       ( resid   20 and name   HB1 )
        4.35  2.55  0.00 peak 20096 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   20 and name    HN )
       ( resid   20 and name   HB2 )
        4.42  2.62  0.00 peak 20097 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   20 and name    HA )
       ( resid   20 and name   HB1 )
        4.28  2.48  0.00 peak 20098 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   20 and name    HN )
       ( resid   20 and name  HD1# )
        4.17  2.37  0.00 peak 20100 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   20 and name   HB1 )
       ( resid   20 and name  HD1# )
        3.31  1.51  0.00 peak 20105 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   20 and name    HN )
       ( resid   20 and name  HD2# )
        4.25  2.45  0.00 peak 20108 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   20 and name   HB2 )
       ( resid   20 and name  HD2# )
        4.13  2.33  0.00 peak 20113 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   21 and name    HN )
       ( resid   21 and name    HA )
        4.03  2.23  0.00 peak 20115 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   21 and name    HN )
       ( resid   21 and name   HB1 )
        4.36  2.56  0.00 peak 20118 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   21 and name    HA )
       ( resid   21 and name   HB2 )
        4.46  2.66  0.00 peak 20119 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name    HA )
       ( resid   21 and name   HB1 )
        4.45  2.65  0.00 peak 20120 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   21 and name   HB2 )
       ( resid   31 and name  HG1* )
        3.98  2.18  0.00 peak 20121 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   21 and name   HB2 )
       ( resid   21 and name  HD2# )
        4.39  2.59  0.00 peak 20123 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   21 and name    HN )
       ( resid   21 and name  HD1# )
        3.93  2.13  0.00 peak 20124 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   21 and name    HA )
       ( resid   21 and name  HD1# )
        4.11  2.31  0.00 peak 20125 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   21 and name  HD1# )
       ( resid   31 and name    HA )
        4.35  2.55  0.00 peak 20126 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   21 and name  HD1# )
       ( resid   30 and name   HB2 )
        4.45  2.65  0.00 peak 20127 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   21 and name    HN )
       ( resid   21 and name  HD2# )
        4.24  2.44  0.00 peak 20131 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   21 and name    HA )
       ( resid   21 and name  HD2# )
        4.18  2.38  0.00 peak 20134 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   21 and name  HD2# )
       ( resid   34 and name   HB* )
        3.86  2.06  0.00 peak 20137 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   21 and name  HD1# )
       ( resid   21 and name  HD2# )
        2.80  1.00  0.00 peak 20139 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HN )
       ( resid   49 and name    HA )
        4.38  2.58  0.00 peak 20140 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   22 and name    HA )
       ( resid   22 and name    HB )
        4.36  2.56  0.00 peak 20141 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   22 and name    HN )
       ( resid   22 and name  HG2# )
        4.32  2.52  0.00 peak 20146 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   22 and name    HA )
       ( resid   22 and name  HG2# )
        3.59  1.79  0.00 peak 20149 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   22 and name    HB )
       ( resid   22 and name  HG2# )
        3.08  1.28  0.00 peak 20150 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   22 and name    HA )
       ( resid   22 and name  HD1# )
        4.09  2.29  0.00 peak 20155 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   22 and name    HB )
       ( resid   22 and name  HD1# )
        3.53  1.73  0.00 peak 20156 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   23 and name   HB* )
       ( resid   23 and name    HA )
        3.34  1.54  0.00 peak 20160 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   23 and name    HA )
       ( resid   62 and name  HG1# )
        3.91  2.11  0.00 peak 20162 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   20 and name    HA )
       ( resid   23 and name   HB* )
        3.44  1.64  0.00 peak 20166 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   20 and name  HD2# )
       ( resid   23 and name   HB* )
        3.10  1.30  0.00 peak 20169 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   25 and name    HN )
       ( resid   25 and name   HA2 )
        4.51  2.71  0.00 peak 20175 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   25 and name   HA2 )
       ( resid   62 and name  HG1# )
        4.40  2.60  0.00 peak 20176 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   30 and name    HA )
       ( resid   30 and name   HB1 )
        4.10  2.30  0.00 peak 20180 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   30 and name    HA )
       ( resid   30 and name   HB2 )
        4.30  2.50  0.00 peak 20181 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   31 and name    HN )
       ( resid   31 and name    HA )
        4.43  2.63  0.00 peak 20182 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   31 and name    HA )
       ( resid   31 and name  HG2# )
        3.47  1.67  0.00 peak 20185 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   31 and name    HN )
       ( resid   31 and name    HB )
        4.09  2.29  0.00 peak 20186 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   31 and name    HB )
       ( resid   32 and name    HN )
        4.37  2.57  0.00 peak 20187 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   26 and name    HA )
       ( resid   31 and name  HD1# )
        4.21  2.41  0.00 peak 20190 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   31 and name    HA )
       ( resid   31 and name  HG1* )
        3.82  2.02  0.00 peak 20191 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   26 and name   HB2 )
       ( resid   31 and name  HG1* )
        4.22  2.42  0.00 peak 20193 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   31 and name    HB )
       ( resid   31 and name  HG1* )
        4.00  2.20  0.00 peak 20194 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name    HA )
       ( resid   31 and name  HG2# )
        3.32  1.52  0.00 peak 20195 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   31 and name    HB )
       ( resid   31 and name  HG2# )
        3.45  1.65  0.00 peak 20197 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name  HG1* )
       ( resid   31 and name  HG2# )
        4.18  2.38  0.00 peak 20198 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name    HA )
       ( resid   34 and name    HN )
        4.50  2.70  0.00 peak 20199 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name   HB* )
       ( resid   32 and name    HA )
        3.72  1.92  0.00 peak 20200 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name    HN )
       ( resid   32 and name   HB* )
        3.66  1.86  0.00 peak 20204 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name   HB* )
       ( resid   37 and name  HG2# )
        3.04  1.24  0.00 peak 20208 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   33 and name    HN )
       ( resid   33 and name    HA )
        4.38  2.58  0.00 peak 20209 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   33 and name   HB1 )
       ( resid   34 and name    HN )
        4.49  2.69  0.00 peak 20210 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name    HN )
       ( resid   34 and name    HA )
        3.91  2.11  0.00 peak 20211 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name   HB* )
       ( resid   34 and name    HA )
        3.34  1.54  0.00 peak 20212 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name    HN )
       ( resid   34 and name   HB* )
        3.02  1.22  0.00 peak 20213 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   31 and name    HA )
       ( resid   34 and name   HB* )
        3.67  1.87  0.00 peak 20217 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   21 and name  HD1# )
       ( resid   34 and name   HB* )
        3.41  1.61  0.00 peak 20219 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name    HB )
       ( resid   38 and name    HN )
        4.24  2.44  0.00 peak 20221 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name  HG2# )
       ( resid   37 and name    HB )
        3.49  1.69  0.00 peak 20223 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name    HB )
       ( resid   37 and name  HD1# )
        4.10  2.30  0.00 peak 20224 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name    HN )
       ( resid   37 and name  HG2# )
        4.37  2.57  0.00 peak 20225 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name    HA )
       ( resid   37 and name  HG2# )
        4.53  2.73  0.00 peak 20226 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name  HG2# )
       ( resid   37 and name  HD1# )
        3.76  1.96  0.00 peak 20228 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   42 and name    HA )
       ( resid   42 and name    HB )
        4.48  2.68  0.00 peak 20239 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name    HA )
       ( resid   42 and name    HB )
        4.30  2.50  0.00 peak 20242 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   42 and name    HN )
       ( resid   42 and name  HG1# )
        3.66  1.86  0.00 peak 20244 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name    HA )
       ( resid   42 and name  HG1# )
        3.50  1.70  0.00 peak 20245 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   42 and name    HA )
       ( resid   42 and name  HG1# )
        3.48  1.68  0.00 peak 20246 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   42 and name    HB )
       ( resid   42 and name  HG1# )
        3.25  1.45  0.00 peak 20247 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   31 and name    HB )
       ( resid   42 and name  HG1# )
        3.93  2.13  0.00 peak 20248 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name  HG1* )
       ( resid   42 and name  HG1# )
        3.94  2.14  0.00 peak 20249 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name    HN )
       ( resid   42 and name  HG2# )
        4.25  2.45  0.00 peak 20252 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name    HA )
       ( resid   42 and name  HG2# )
        4.01  2.21  0.00 peak 20253 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   42 and name    HA )
       ( resid   42 and name  HG2# )
        3.68  1.88  0.00 peak 20254 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   42 and name    HB )
       ( resid   42 and name  HG2# )
        3.68  1.88  0.00 peak 20255 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   44 and name    HA )
       ( resid   44 and name  HG2# )
        3.38  1.58  0.00 peak 20258 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   44 and name    HB )
       ( resid   44 and name  HG2# )
        3.82  2.02  0.00 peak 20259 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   46 and name    HA )
       ( resid   46 and name    HB )
        3.81  2.01  0.00 peak 20260 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   46 and name    HN )
       ( resid   46 and name  HG1# )
        3.79  1.99  0.00 peak 20262 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   46 and name    HN )
       ( resid   46 and name  HG2# )
        4.39  2.59  0.00 peak 20263 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   46 and name    HA )
       ( resid   46 and name  HG2# )
        3.53  1.73  0.00 peak 20265 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   31 and name    HB )
       ( resid   46 and name  HG2# )
        4.28  2.48  0.00 peak 20267 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   47 and name    HN )
       ( resid   47 and name    HA )
        3.99  2.19  0.00 peak 20268 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   48 and name    HN )
       ( resid   48 and name   HB1 )
        4.33  2.53  0.00 peak 20271 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name  HG2# )
       ( resid   50 and name    HN )
        4.36  2.56  0.00 peak 20273 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HB )
       ( resid   49 and name  HG2# )
        3.33  1.53  0.00 peak 20275 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name    HA )
       ( resid   50 and name   HB2 )
        4.12  2.32  0.00 peak 20280 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name    HA )
       ( resid   50 and name   HB1 )
        3.92  2.12  0.00 peak 20281 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name    HN )
       ( resid   50 and name   HB2 )
        4.52  2.72  0.00 peak 20284 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name    HN )
       ( resid   50 and name   HB1 )
        4.37  2.57  0.00 peak 20285 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name   HB2 )
       ( resid   50 and name  HD1# )
        3.73  1.93  0.00 peak 20288 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name   HB1 )
       ( resid   50 and name  HD1# )
        3.48  1.68  0.00 peak 20289 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name   HB2 )
       ( resid   50 and name  HD2# )
        4.07  2.27  0.00 peak 20291 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name    HN )
       ( resid   50 and name  HD1# )
        4.25  2.45  0.00 peak 20292 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name    HA )
       ( resid   50 and name  HD1# )
        4.45  2.65  0.00 peak 20294 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name  HD1# )
       ( resid   61 and name   HB* )
        4.27  2.47  0.00 peak 20298 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name    HN )
       ( resid   50 and name  HD2# )
        4.06  2.26  0.00 peak 20300 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name  HD2# )
       ( resid   61 and name    HN )
        4.43  2.63  0.00 peak 20301 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name    HA )
       ( resid   50 and name  HD2# )
        4.14  2.34  0.00 peak 20302 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name   HB1 )
       ( resid   50 and name  HD2# )
        3.43  1.63  0.00 peak 20305 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   51 and name    HN )
       ( resid   51 and name   HB1 )
        4.29  2.49  0.00 peak 20308 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   51 and name   HB1 )
       ( resid   52 and name    HN )
        4.50  2.70  0.00 peak 20309 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   52 and name    HN )
       ( resid   52 and name    HA )
        4.24  2.44  0.00 peak 20310 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   58 and name    HA )
       ( resid   61 and name    HN )
        4.49  2.69  0.00 peak 20311 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   58 and name    HA )
       ( resid   61 and name   HB* )
        3.41  1.61  0.00 peak 20313 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name    HA )
       ( resid   53 and name   HB2 )
        4.28  2.48  0.00 peak 20316 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name    HA )
       ( resid   53 and name   HB1 )
        3.60  1.80  0.00 peak 20317 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name    HA )
       ( resid   53 and name  HD2# )
        3.51  1.71  0.00 peak 20318 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name   HB1 )
       ( resid   53 and name   HB2 )
        3.78  1.98  0.00 peak 20320 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name   HB2 )
       ( resid   53 and name  HD1# )
        3.83  2.03  0.00 peak 20321 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name    HN )
       ( resid   53 and name  HD1# )
        4.15  2.35  0.00 peak 20323 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name    HA )
       ( resid   53 and name  HD1# )
        4.29  2.49  0.00 peak 20324 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name  HD2# )
       ( resid   53 and name  HD1# )
        2.89  1.09  0.00 peak 20328 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    8 and name   HE* )
       ( resid   53 and name  HD2# )
        4.28  2.48  0.00 peak 20329 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    7 and name   HB1 )
       ( resid   53 and name  HD2# )
        3.26  1.46  0.00 peak 20332 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name   HB2 )
       ( resid   53 and name  HD2# )
        3.66  1.86  0.00 peak 20333 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   11 and name  HD2# )
       ( resid   53 and name  HD2# )
        2.90  1.10  0.00 peak 20334 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   54 and name    HA )
       ( resid   55 and name    HN )
        4.43  2.63  0.00 peak 20335 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   54 and name    HN )
       ( resid   54 and name    HA )
        3.74  1.94  0.00 peak 20336 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   54 and name    HA )
       ( resid   54 and name   HB1 )
        3.86  2.06  0.00 peak 20337 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   55 and name    HN )
       ( resid   55 and name  HG1# )
        3.94  2.14  0.00 peak 20338 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name    HA )
       ( resid   55 and name  HG1# )
        4.30  2.50  0.00 peak 20341 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name  HD2# )
       ( resid   55 and name  HG1# )
        4.21  2.41  0.00 peak 20346 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   55 and name    HN )
       ( resid   55 and name  HG2# )
        3.94  2.14  0.00 peak 20347 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   61 and name    HN )
       ( resid   61 and name   HB* )
        3.46  1.66  0.00 peak 20352 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   61 and name    HA )
       ( resid   61 and name   HB* )
        3.39  1.59  0.00 peak 20353 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name    HA )
       ( resid   61 and name   HB* )
        3.62  1.82  0.00 peak 20354 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   22 and name  HD1# )
       ( resid   61 and name   HB* )
        3.30  1.50  0.00 peak 20355 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name  HD2# )
       ( resid   61 and name   HB* )
        2.99  1.19  0.00 peak 20356 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   26 and name   HD* )
       ( resid   62 and name  HG2# )
        3.54  1.74  0.00 peak 20362 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name    HA )
       ( resid   62 and name  HG2# )
        4.51  2.71  0.00 peak 20363 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name    HB )
       ( resid   62 and name  HG2# )
        3.20  1.40  0.00 peak 20364 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   64 and name    HA )
       ( resid   64 and name   HB1 )
        3.89  2.09  0.00 peak 20373 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   64 and name   HD* )
       ( resid   64 and name   HB1 )
        4.49  2.69  0.00 peak 20377 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   64 and name   HD* )
       ( resid   64 and name   HB2 )
        4.34  2.54  0.00 peak 20378 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name    HA )
       ( resid   70 and name  HD1# )
        3.61  1.81  0.00 peak 20381 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name    HA )
       ( resid   65 and name   HB* )
        3.28  1.48  0.00 peak 20383 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name    HA )
       ( resid   65 and name   HB* )
        3.63  1.83  0.00 peak 20384 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   69 and name    HN )
       ( resid   69 and name    HA )
        4.04  2.24  0.00 peak 20385 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   69 and name    HA )
       ( resid   69 and name   HB2 )
        3.63  1.83  0.00 peak 20386 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   69 and name    HA )
       ( resid   69 and name   HB1 )
        3.83  2.03  0.00 peak 20387 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   70 and name    HA )
       ( resid   70 and name   HB2 )
        3.13  1.33  0.00 peak 20389 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    8 and name   HE* )
       ( resid   70 and name  HD1# )
        3.97  2.17  0.00 peak 20392 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    8 and name   HD* )
       ( resid   70 and name  HD2# )
        4.22  2.42  0.00 peak 20400 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   70 and name    HA )
       ( resid   70 and name  HD2# )
        3.72  1.92  0.00 peak 20402 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   70 and name  HD1# )
       ( resid   70 and name  HD2# )
        2.97  1.17  0.00 peak 20405 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name    HN )
       ( resid   67 and name    HA )
        4.12  2.32  0.00 peak 20406 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   17 and name    HA )
       ( resid   17 and name   HB1 )
        3.47  1.67  0.00 peak 20408 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   72 and name    HA )
       ( resid   72 and name   HB1 )
        4.27  2.47  0.00 peak 20420 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   72 and name    HA )
       ( resid   72 and name   HB2 )
        4.46  2.66  0.00 peak 20421 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   14 and name   HB1 )
       ( resid   18 and name  HD1# )
        3.73  1.93  0.00 peak 20422 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name    HB )
       ( resid   19 and name    HN )
        4.66  2.86  0.00 peak 20425 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   26 and name   HB2 )
       ( resid   26 and name   HD* )
        4.00  2.20  0.00 peak 30000 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   26 and name   HD* )
       ( resid   62 and name  HG2# )
        3.82  2.02  0.00 peak 30001 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    8 and name   HE* )
       ( resid   64 and name   HD* )
        2.42  0.62  0.00 peak 30002 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   64 and name   HB2 )
       ( resid   64 and name   HD* )
        3.47  1.67  0.00 peak 30004 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   64 and name   HB1 )
       ( resid   64 and name   HD* )
        3.23  1.43  0.00 peak 30005 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   64 and name   HD* )
       ( resid   65 and name   HB* )
        4.16  2.36  0.00 peak 30006 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    8 and name   HB2 )
       ( resid    8 and name   HD* )
        3.52  1.72  0.00 peak 30010 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    8 and name   HB1 )
       ( resid    8 and name   HD* )
        3.50  1.70  0.00 peak 30011 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    8 and name   HE* )
       ( resid   70 and name  HD1# )
        3.51  1.71  0.00 peak 30019 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    8 and name   HE* )
       ( resid   53 and name  HD2# )
        3.95  2.15  0.00 peak 30020 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   64 and name   HD* )
       ( resid   64 and name   HE* )
        2.40  0.60  0.00 peak 30021 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   26 and name   HE* )
       ( resid   42 and name    HB )
        4.00  2.20  0.00 peak 30025 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    8 and name   HD* )
       ( resid    9 and name    HA )
        4.38  2.58  0.00 peak 30032 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   26 and name   HE* )
       ( resid   26 and name   HD* )
        4.01  2.21  0.00 peak 30033 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   24 and name   HB1 )
       ( resid   66 and name   HD* )
        4.12  2.32  0.00 peak 30037 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid    8 and name   HD* )
       ( resid   70 and name  HD1# )
        4.21  2.41  0.00 peak 30039 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   13 and name     O )
       ( resid   17 and name    HN )
        2.00  0.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   13 and name     O )
       ( resid   17 and name     N )
        3.00  1.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   14 and name     O )
       ( resid   18 and name    HN )
        2.00  0.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   14 and name     O )
       ( resid   18 and name     N )
        3.00  1.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   15 and name     O )
       ( resid   19 and name    HN )
        2.00  0.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   15 and name     O )
       ( resid   19 and name     N )
        3.00  1.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   16 and name     O )
       ( resid   20 and name    HN )
        2.00  0.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   16 and name     O )
       ( resid   20 and name     N )
        3.00  1.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   17 and name     O )
       ( resid   21 and name    HN )
        2.00  0.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   17 and name     O )
       ( resid   21 and name     N )
        3.00  1.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name     O )
       ( resid   22 and name    HN )
        2.00  0.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   18 and name     O )
       ( resid   22 and name     N )
        3.00  1.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   19 and name     O )
       ( resid   23 and name    HN )
        2.00  0.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   19 and name     O )
       ( resid   23 and name     N )
        3.00  1.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   20 and name     O )
       ( resid   24 and name    HN )
        2.00  0.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   20 and name     O )
       ( resid   24 and name     N )
        3.00  1.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   21 and name     O )
       ( resid   25 and name    HN )
        2.00  0.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   21 and name     O )
       ( resid   25 and name     N )
        3.00  1.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name     O )
       ( resid   32 and name    HN )
        2.00  0.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name     O )
       ( resid   32 and name     N )
        3.00  1.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name     O )
       ( resid   33 and name    HN )
        2.00  0.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name     O )
       ( resid   33 and name     N )
        3.00  1.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   30 and name     O )
       ( resid   34 and name    HN )
        2.00  0.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   30 and name     O )
       ( resid   34 and name     N )
        3.00  1.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   31 and name     O )
       ( resid   35 and name    HN )
        2.00  0.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   31 and name     O )
       ( resid   35 and name     N )
        3.00  1.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name     O )
       ( resid   36 and name    HN )
        2.00  0.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name     O )
       ( resid   36 and name     N )
        3.00  1.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name     O )
       ( resid   45 and name    HN )
        2.00  0.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name     O )
       ( resid   45 and name     N )
        3.00  1.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   42 and name     O )
       ( resid   46 and name    HN )
        2.00  0.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   42 and name     O )
       ( resid   46 and name     N )
        3.00  1.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   43 and name     O )
       ( resid   47 and name    HN )
        2.00  0.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   43 and name     O )
       ( resid   47 and name     N )
        3.00  1.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   44 and name     O )
       ( resid   48 and name    HN )
        2.00  0.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   44 and name     O )
       ( resid   48 and name     N )
        3.00  1.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   45 and name     O )
       ( resid   49 and name    HN )
        2.00  0.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   45 and name     O )
       ( resid   49 and name     N )
        3.00  1.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   46 and name     O )
       ( resid   50 and name    HN )
        2.00  0.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   46 and name     O )
       ( resid   50 and name     N )
        3.00  1.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   47 and name     O )
       ( resid   51 and name    HN )
        2.00  0.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   47 and name     O )
       ( resid   51 and name     N )
        3.00  1.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   48 and name     O )
       ( resid   52 and name    HN )
        2.00  0.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   48 and name     O )
       ( resid   52 and name     N )
        3.00  1.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name     O )
       ( resid   53 and name    HN )
        2.00  0.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name     O )
       ( resid   53 and name     N )
        3.00  1.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   51 and name     O )
       ( resid   54 and name    HN )
        2.00  0.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   51 and name     O )
       ( resid   54 and name     N )
        3.00  1.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   57 and name     O )
       ( resid   61 and name    HN )
        2.00  0.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   57 and name     O )
       ( resid   61 and name     N )
        3.00  1.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   58 and name     O )
       ( resid   62 and name    HN )
        2.00  0.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   58 and name     O )
       ( resid   62 and name     N )
        3.00  1.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   59 and name     O )
       ( resid   63 and name    HN )
        2.00  0.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   59 and name     O )
       ( resid   63 and name     N )
        3.00  1.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name     O )
       ( resid   64 and name    HN )
        2.00  0.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name     O )
       ( resid   64 and name     N )
        3.00  1.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   61 and name     O )
       ( resid   65 and name    HN )
        2.00  0.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   61 and name     O )
       ( resid   65 and name     N )
        3.00  1.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name     O )
       ( resid   66 and name    HN )
        2.00  0.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name     O )
       ( resid   66 and name     N )
        3.00  1.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   63 and name     O )
       ( resid   67 and name    HN )
        2.00  0.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   63 and name     O )
       ( resid   67 and name     N )
        3.00  1.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   64 and name     O )
       ( resid   68 and name    HN )
        2.00  0.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   64 and name     O )
       ( resid   68 and name     N )
        3.00  1.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name     O )
       ( resid   69 and name    HN )
        2.00  0.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name     O )
       ( resid   69 and name     N )
        3.00  1.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   66 and name     O )
       ( resid   70 and name    HN )
        2.00  0.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   66 and name     O )
       ( resid   70 and name     N )
        3.00  1.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

! residue    8 cyana PHI 
assign ( resid    7 and name C  ) ( resid    8 and name N  )
       ( resid    8 and name CA ) ( resid    8 and name C  ) 1.00 -65.5 -60.0 2

! residue    9 cyana PHI 
assign ( resid    8 and name C  ) ( resid    9 and name N  )
       ( resid    9 and name CA ) ( resid    9 and name C  ) 1.00 -72.7 -80.0 2

! residue   10 cyana PHI 
assign ( resid    9 and name C  ) ( resid   10 and name N  )
       ( resid   10 and name CA ) ( resid   10 and name C  ) 1.00 -87.7 -80.0 2

! residue   11 cyana PHI 
assign ( resid   10 and name C  ) ( resid   11 and name N  )
       ( resid   11 and name CA ) ( resid   11 and name C  ) 1.00 -71.3 -80.0 2

! residue   12 cyana PHI 
assign ( resid   11 and name C  ) ( resid   12 and name N  )
       ( resid   12 and name CA ) ( resid   12 and name C  ) 1.00 -84.7 -80.0 2

! residue   15 cyana PHI 
assign ( resid   14 and name C  ) ( resid   15 and name N  )
       ( resid   15 and name CA ) ( resid   15 and name C  ) 1.00 -64.0 -60.0 2

! residue   16 cyana PHI 
assign ( resid   15 and name C  ) ( resid   16 and name N  )
       ( resid   16 and name CA ) ( resid   16 and name C  ) 1.00 -61.3 -20.0 2

! residue   17 cyana PHI 
assign ( resid   16 and name C  ) ( resid   17 and name N  )
       ( resid   17 and name CA ) ( resid   17 and name C  ) 1.00 -62.1 -20.0 2

! residue   18 cyana PHI 
assign ( resid   17 and name C  ) ( resid   18 and name N  )
       ( resid   18 and name CA ) ( resid   18 and name C  ) 1.00 -71.1 -20.0 2

! residue   19 cyana PHI 
assign ( resid   18 and name C  ) ( resid   19 and name N  )
       ( resid   19 and name CA ) ( resid   19 and name C  ) 1.00 -63.9 -20.0 2

! residue   20 cyana PHI 
assign ( resid   19 and name C  ) ( resid   20 and name N  )
       ( resid   20 and name CA ) ( resid   20 and name C  ) 1.00 -62.8 -20.0 2

! residue   21 cyana PHI 
assign ( resid   20 and name C  ) ( resid   21 and name N  )
       ( resid   21 and name CA ) ( resid   21 and name C  ) 1.00 -64.2 -20.0 2

! residue   22 cyana PHI 
assign ( resid   21 and name C  ) ( resid   22 and name N  )
       ( resid   22 and name CA ) ( resid   22 and name C  ) 1.00 -64.2 -20.0 2

! residue   23 cyana PHI 
assign ( resid   22 and name C  ) ( resid   23 and name N  )
       ( resid   23 and name CA ) ( resid   23 and name C  ) 1.00 -62.7 -60.0 2

! residue   24 cyana PHI 
assign ( resid   23 and name C  ) ( resid   24 and name N  )
       ( resid   24 and name CA ) ( resid   24 and name C  ) 1.00 -91.7 -80.0 2

! residue   26 cyana PHI 
assign ( resid   25 and name C  ) ( resid   26 and name N  )
       ( resid   26 and name CA ) ( resid   26 and name C  ) 1.00 -76.8 -60.0 2

! residue   27 cyana PHI 
assign ( resid   26 and name C  ) ( resid   27 and name N  )
       ( resid   27 and name CA ) ( resid   27 and name C  ) 1.00 -92.3 -40.0 2

! residue   30 cyana PHI 
assign ( resid   29 and name C  ) ( resid   30 and name N  )
       ( resid   30 and name CA ) ( resid   30 and name C  ) 1.00 -66.4 -20.0 2

! residue   31 cyana PHI 
assign ( resid   30 and name C  ) ( resid   31 and name N  )
       ( resid   31 and name CA ) ( resid   31 and name C  ) 1.00 -64.0 -20.0 2

! residue   32 cyana PHI 
assign ( resid   31 and name C  ) ( resid   32 and name N  )
       ( resid   32 and name CA ) ( resid   32 and name C  ) 1.00 -59.9 -20.0 2

! residue   33 cyana PHI 
assign ( resid   32 and name C  ) ( resid   33 and name N  )
       ( resid   33 and name CA ) ( resid   33 and name C  ) 1.00 -63.3 -20.0 2

! residue   34 cyana PHI 
assign ( resid   33 and name C  ) ( resid   34 and name N  )
       ( resid   34 and name CA ) ( resid   34 and name C  ) 1.00 -78.0 -60.0 2

! residue   35 cyana PHI 
assign ( resid   34 and name C  ) ( resid   35 and name N  )
       ( resid   35 and name CA ) ( resid   35 and name C  ) 1.00 -67.8 -40.0 2

! residue   42 cyana PHI 
assign ( resid   41 and name C  ) ( resid   42 and name N  )
       ( resid   42 and name CA ) ( resid   42 and name C  ) 1.00 -64.4 -20.0 2

! residue   43 cyana PHI 
assign ( resid   42 and name C  ) ( resid   43 and name N  )
       ( resid   43 and name CA ) ( resid   43 and name C  ) 1.00 -62.1 -20.0 2

! residue   44 cyana PHI 
assign ( resid   43 and name C  ) ( resid   44 and name N  )
       ( resid   44 and name CA ) ( resid   44 and name C  ) 1.00 -66.2 -20.0 2

! residue   45 cyana PHI 
assign ( resid   44 and name C  ) ( resid   45 and name N  )
       ( resid   45 and name CA ) ( resid   45 and name C  ) 1.00 -62.8 -20.0 2

! residue   46 cyana PHI 
assign ( resid   45 and name C  ) ( resid   46 and name N  )
       ( resid   46 and name CA ) ( resid   46 and name C  ) 1.00 -62.5 -20.0 2

! residue   47 cyana PHI 
assign ( resid   46 and name C  ) ( resid   47 and name N  )
       ( resid   47 and name CA ) ( resid   47 and name C  ) 1.00 -61.1 -20.0 2

! residue   48 cyana PHI 
assign ( resid   47 and name C  ) ( resid   48 and name N  )
       ( resid   48 and name CA ) ( resid   48 and name C  ) 1.00 -64.8 -20.0 2

! residue   49 cyana PHI 
assign ( resid   48 and name C  ) ( resid   49 and name N  )
       ( resid   49 and name CA ) ( resid   49 and name C  ) 1.00 -65.5 -20.0 2

! residue   50 cyana PHI 
assign ( resid   49 and name C  ) ( resid   50 and name N  )
       ( resid   50 and name CA ) ( resid   50 and name C  ) 1.00 -61.4 -20.0 2

! residue   51 cyana PHI 
assign ( resid   50 and name C  ) ( resid   51 and name N  )
       ( resid   51 and name CA ) ( resid   51 and name C  ) 1.00 -64.3 -20.0 2

! residue   52 cyana PHI 
assign ( resid   51 and name C  ) ( resid   52 and name N  )
       ( resid   52 and name CA ) ( resid   52 and name C  ) 1.00 -64.0 -20.0 2

! residue   53 cyana PHI 
assign ( resid   52 and name C  ) ( resid   53 and name N  )
       ( resid   53 and name CA ) ( resid   53 and name C  ) 1.00 -96.2 -20.0 2

! residue   54 cyana PHI 
assign ( resid   53 and name C  ) ( resid   54 and name N  )
       ( resid   54 and name CA ) ( resid   54 and name C  ) 1.00  62.7 -40.0 2

! residue   55 cyana PHI 
assign ( resid   54 and name C  ) ( resid   55 and name N  )
       ( resid   55 and name CA ) ( resid   55 and name C  ) 1.00 -134.6 -40.0 2

! residue   59 cyana PHI 
assign ( resid   58 and name C  ) ( resid   59 and name N  )
       ( resid   59 and name CA ) ( resid   59 and name C  ) 1.00 -68.7 -20.0 2

! residue   60 cyana PHI 
assign ( resid   59 and name C  ) ( resid   60 and name N  )
       ( resid   60 and name CA ) ( resid   60 and name C  ) 1.00 -64.3 -20.0 2

! residue   61 cyana PHI 
assign ( resid   60 and name C  ) ( resid   61 and name N  )
       ( resid   61 and name CA ) ( resid   61 and name C  ) 1.00 -66.4 -20.0 2

! residue   62 cyana PHI 
assign ( resid   61 and name C  ) ( resid   62 and name N  )
       ( resid   62 and name CA ) ( resid   62 and name C  ) 1.00 -62.1 -20.0 2

! residue   63 cyana PHI 
assign ( resid   62 and name C  ) ( resid   63 and name N  )
       ( resid   63 and name CA ) ( resid   63 and name C  ) 1.00 -61.0 -20.0 2

! residue   64 cyana PHI 
assign ( resid   63 and name C  ) ( resid   64 and name N  )
       ( resid   64 and name CA ) ( resid   64 and name C  ) 1.00 -62.5 -20.0 2

! residue   65 cyana PHI 
assign ( resid   64 and name C  ) ( resid   65 and name N  )
       ( resid   65 and name CA ) ( resid   65 and name C  ) 1.00 -61.0 -20.0 2

! residue   66 cyana PHI 
assign ( resid   65 and name C  ) ( resid   66 and name N  )
       ( resid   66 and name CA ) ( resid   66 and name C  ) 1.00 -62.0 -20.0 2

! residue   67 cyana PHI 
assign ( resid   66 and name C  ) ( resid   67 and name N  )
       ( resid   67 and name CA ) ( resid   67 and name C  ) 1.00 -64.9 -60.0 2

! residue   68 cyana PHI 
assign ( resid   67 and name C  ) ( resid   68 and name N  )
       ( resid   68 and name CA ) ( resid   68 and name C  ) 1.00 -91.8 -60.0 2

! residue   69 cyana PHI 
assign ( resid   68 and name C  ) ( resid   69 and name N  )
       ( resid   69 and name CA ) ( resid   69 and name C  ) 1.00 -79.5 -80.0 2

! residue   70 cyana PHI 
assign ( resid   69 and name C  ) ( resid   70 and name N  )
       ( resid   70 and name CA ) ( resid   70 and name C  ) 1.00 -72.7 -80.0 2

! residue   71 cyana PHI 
assign ( resid   70 and name C  ) ( resid   71 and name N  )
       ( resid   71 and name CA ) ( resid   71 and name C  ) 1.00 -140.3 -80.0 2

! residue    8 cyana PSI 
assign ( resid    8 and name N  ) ( resid    8 and name CA  )
       ( resid    8 and name C  ) ( resid    9 and name N  ) 1.00 -30.6 -64.0 2

! residue    9 cyana PSI 
assign ( resid    9 and name N  ) ( resid    9 and name CA  )
       ( resid    9 and name C  ) ( resid   10 and name N  ) 1.00 -21.9 -84.0 2

! residue   10 cyana PSI 
assign ( resid   10 and name N  ) ( resid   10 and name CA  )
       ( resid   10 and name C  ) ( resid   11 and name N  ) 1.00  -2.0 -84.0 2

! residue   11 cyana PSI 
assign ( resid   11 and name N  ) ( resid   11 and name CA  )
       ( resid   11 and name C  ) ( resid   12 and name N  ) 1.00 153.1 -84.0 2

! residue   12 cyana PSI 
assign ( resid   12 and name N  ) ( resid   12 and name CA  )
       ( resid   12 and name C  ) ( resid   13 and name N  ) 1.00 111.2 -84.0 2

! residue   15 cyana PSI 
assign ( resid   15 and name N  ) ( resid   15 and name CA  )
       ( resid   15 and name C  ) ( resid   16 and name N  ) 1.00 -42.8 -64.0 2

! residue   16 cyana PSI 
assign ( resid   16 and name N  ) ( resid   16 and name CA  )
       ( resid   16 and name C  ) ( resid   17 and name N  ) 1.00 -41.4 -22.0 2

! residue   17 cyana PSI 
assign ( resid   17 and name N  ) ( resid   17 and name CA  )
       ( resid   17 and name C  ) ( resid   18 and name N  ) 1.00 -42.5 -22.0 2

! residue   18 cyana PSI 
assign ( resid   18 and name N  ) ( resid   18 and name CA  )
       ( resid   18 and name C  ) ( resid   19 and name N  ) 1.00 -37.5 -22.0 2

! residue   19 cyana PSI 
assign ( resid   19 and name N  ) ( resid   19 and name CA  )
       ( resid   19 and name C  ) ( resid   20 and name N  ) 1.00 -42.6 -22.0 2

! residue   20 cyana PSI 
assign ( resid   20 and name N  ) ( resid   20 and name CA  )
       ( resid   20 and name C  ) ( resid   21 and name N  ) 1.00 -40.4 -22.0 2

! residue   21 cyana PSI 
assign ( resid   21 and name N  ) ( resid   21 and name CA  )
       ( resid   21 and name C  ) ( resid   22 and name N  ) 1.00 -40.3 -22.0 2

! residue   22 cyana PSI 
assign ( resid   22 and name N  ) ( resid   22 and name CA  )
       ( resid   22 and name C  ) ( resid   23 and name N  ) 1.00 -42.1 -22.0 2

! residue   23 cyana PSI 
assign ( resid   23 and name N  ) ( resid   23 and name CA  )
       ( resid   23 and name C  ) ( resid   24 and name N  ) 1.00 -26.0 -64.0 2

! residue   24 cyana PSI 
assign ( resid   24 and name N  ) ( resid   24 and name CA  )
       ( resid   24 and name C  ) ( resid   25 and name N  ) 1.00  -0.6 -84.0 2

! residue   26 cyana PSI 
assign ( resid   26 and name N  ) ( resid   26 and name CA  )
       ( resid   26 and name C  ) ( resid   27 and name N  ) 1.00 132.2 -64.0 2

! residue   27 cyana PSI 
assign ( resid   27 and name N  ) ( resid   27 and name CA  )
       ( resid   27 and name C  ) ( resid   28 and name N  ) 1.00 167.7 -44.0 2

! residue   30 cyana PSI 
assign ( resid   30 and name N  ) ( resid   30 and name CA  )
       ( resid   30 and name C  ) ( resid   31 and name N  ) 1.00 -41.8 -22.0 2

! residue   31 cyana PSI 
assign ( resid   31 and name N  ) ( resid   31 and name CA  )
       ( resid   31 and name C  ) ( resid   32 and name N  ) 1.00 -41.8 -22.0 2

! residue   32 cyana PSI 
assign ( resid   32 and name N  ) ( resid   32 and name CA  )
       ( resid   32 and name C  ) ( resid   33 and name N  ) 1.00 -42.5 -22.0 2

! residue   33 cyana PSI 
assign ( resid   33 and name N  ) ( resid   33 and name CA  )
       ( resid   33 and name C  ) ( resid   34 and name N  ) 1.00 -38.0 -22.0 2

! residue   34 cyana PSI 
assign ( resid   34 and name N  ) ( resid   34 and name CA  )
       ( resid   34 and name C  ) ( resid   35 and name N  ) 1.00 -34.4 -64.0 2

! residue   35 cyana PSI 
assign ( resid   35 and name N  ) ( resid   35 and name CA  )
       ( resid   35 and name C  ) ( resid   36 and name N  ) 1.00 -43.6 -42.0 2

! residue   42 cyana PSI 
assign ( resid   42 and name N  ) ( resid   42 and name CA  )
       ( resid   42 and name C  ) ( resid   43 and name N  ) 1.00 -46.6 -22.0 2

! residue   43 cyana PSI 
assign ( resid   43 and name N  ) ( resid   43 and name CA  )
       ( resid   43 and name C  ) ( resid   44 and name N  ) 1.00 -44.6 -22.0 2

! residue   44 cyana PSI 
assign ( resid   44 and name N  ) ( resid   44 and name CA  )
       ( resid   44 and name C  ) ( resid   45 and name N  ) 1.00 -42.1 -22.0 2

! residue   45 cyana PSI 
assign ( resid   45 and name N  ) ( resid   45 and name CA  )
       ( resid   45 and name C  ) ( resid   46 and name N  ) 1.00 -46.8 -22.0 2

! residue   46 cyana PSI 
assign ( resid   46 and name N  ) ( resid   46 and name CA  )
       ( resid   46 and name C  ) ( resid   47 and name N  ) 1.00 -46.1 -22.0 2

! residue   47 cyana PSI 
assign ( resid   47 and name N  ) ( resid   47 and name CA  )
       ( resid   47 and name C  ) ( resid   48 and name N  ) 1.00 -42.4 -22.0 2

! residue   48 cyana PSI 
assign ( resid   48 and name N  ) ( resid   48 and name CA  )
       ( resid   48 and name C  ) ( resid   49 and name N  ) 1.00 -41.0 -22.0 2

! residue   49 cyana PSI 
assign ( resid   49 and name N  ) ( resid   49 and name CA  )
       ( resid   49 and name C  ) ( resid   50 and name N  ) 1.00 -46.0 -22.0 2

! residue   50 cyana PSI 
assign ( resid   50 and name N  ) ( resid   50 and name CA  )
       ( resid   50 and name C  ) ( resid   51 and name N  ) 1.00 -42.7 -22.0 2

! residue   51 cyana PSI 
assign ( resid   51 and name N  ) ( resid   51 and name CA  )
       ( resid   51 and name C  ) ( resid   52 and name N  ) 1.00 -42.0 -22.0 2

! residue   52 cyana PSI 
assign ( resid   52 and name N  ) ( resid   52 and name CA  )
       ( resid   52 and name C  ) ( resid   53 and name N  ) 1.00 -33.1 -22.0 2

! residue   53 cyana PSI 
assign ( resid   53 and name N  ) ( resid   53 and name CA  )
       ( resid   53 and name C  ) ( resid   54 and name N  ) 1.00  10.7 -22.0 2

! residue   54 cyana PSI 
assign ( resid   54 and name N  ) ( resid   54 and name CA  )
       ( resid   54 and name C  ) ( resid   55 and name N  ) 1.00  21.4 -44.0 2

! residue   55 cyana PSI 
assign ( resid   55 and name N  ) ( resid   55 and name CA  )
       ( resid   55 and name C  ) ( resid   56 and name N  ) 1.00 140.8 -44.0 2

! residue   59 cyana PSI 
assign ( resid   59 and name N  ) ( resid   59 and name CA  )
       ( resid   59 and name C  ) ( resid   60 and name N  ) 1.00 -41.7 -22.0 2

! residue   60 cyana PSI 
assign ( resid   60 and name N  ) ( resid   60 and name CA  )
       ( resid   60 and name C  ) ( resid   61 and name N  ) 1.00 -41.9 -22.0 2

! residue   61 cyana PSI 
assign ( resid   61 and name N  ) ( resid   61 and name CA  )
       ( resid   61 and name C  ) ( resid   62 and name N  ) 1.00 -42.8 -22.0 2

! residue   62 cyana PSI 
assign ( resid   62 and name N  ) ( resid   62 and name CA  )
       ( resid   62 and name C  ) ( resid   63 and name N  ) 1.00 -46.7 -22.0 2

! residue   63 cyana PSI 
assign ( resid   63 and name N  ) ( resid   63 and name CA  )
       ( resid   63 and name C  ) ( resid   64 and name N  ) 1.00 -43.4 -22.0 2

! residue   64 cyana PSI 
assign ( resid   64 and name N  ) ( resid   64 and name CA  )
       ( resid   64 and name C  ) ( resid   65 and name N  ) 1.00 -42.7 -22.0 2

! residue   65 cyana PSI 
assign ( resid   65 and name N  ) ( resid   65 and name CA  )
       ( resid   65 and name C  ) ( resid   66 and name N  ) 1.00 -40.9 -22.0 2

! residue   66 cyana PSI 
assign ( resid   66 and name N  ) ( resid   66 and name CA  )
       ( resid   66 and name C  ) ( resid   67 and name N  ) 1.00 -44.0 -22.0 2

! residue   67 cyana PSI 
assign ( resid   67 and name N  ) ( resid   67 and name CA  )
       ( resid   67 and name C  ) ( resid   68 and name N  ) 1.00 -38.2 -64.0 2

! residue   69 cyana PSI 
assign ( resid   69 and name N  ) ( resid   69 and name CA  )
       ( resid   69 and name C  ) ( resid   70 and name N  ) 1.00 -13.5 -84.0 2

! residue   70 cyana PSI 
assign ( resid   70 and name N  ) ( resid   70 and name CA  )
       ( resid   70 and name C  ) ( resid   71 and name N  ) 1.00  -0.3 -84.0 2

! residue   71 cyana PSI 
assign ( resid   71 and name N  ) ( resid   71 and name CA  )
       ( resid   71 and name C  ) ( resid   72 and name N  ) 1.00  70.8 -84.0 2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HA   GLU 143           HA       GLU 143  -0.588 -15.951   1.910
    2    HA   LEU 144           HA       LEU 144   2.439 -12.852  -0.071
    3    HG   LEU 144           HG       LEU 144   0.399 -13.227  -2.376
    4    HA   TYR 145           HA       TYR 145   0.794  -9.080   2.406
    5    HH   TYR 145           HH       TYR 145  -1.906  -7.008   8.431
    6    HA   GLU 146           HA       GLU 146   0.942 -11.605   6.377
    7    HA   MET 147           HA       MET 147   5.223 -12.368   5.324
    8    HA   LEU 148           HA       LEU 148   5.776  -8.221   3.600
    9    HG   LEU 148           HG       LEU 148   3.635  -8.118   1.703
   10    HA   THR 149           HA       THR 149   6.087  -6.878   7.731
   11    HB   THR 149           HB       THR 149   6.875  -9.080   8.097
   12    HA   GLU 150           HA       GLU 150   8.282  -3.195   8.072
   13    HA   ARG 151           HA       ARG 151   5.375   0.143   7.099
   14    HA   GLU 152           HA       GLU 152   5.165  -0.995   2.344
   15    HA   MET 153           HA       MET 153   2.393  -4.588   4.154
   16    HA   GLU 154           HA       GLU 154   0.537  -1.099   6.962
   17    HA   ILE 155           HA       ILE 155   0.605   1.733   3.250
   18    HB   ILE 155           HB       ILE 155   2.984   0.517   1.852
   19    HA   LEU 156           HA       LEU 156  -0.829  -1.749   0.488
   20    HG   LEU 156           HG       LEU 156  -2.269  -4.382   1.343
   21    HA   LEU 157           HA       LEU 157  -3.884  -2.579   4.086
   22    HG   LEU 157           HG       LEU 157  -4.546  -0.876   6.605
   23    HA   LEU 158           HA       LEU 158  -4.347   2.151   4.101
   24    HG   LEU 158           HG       LEU 158  -1.546   2.152   5.479
   25    HA   ILE 159           HA       ILE 159  -3.959   2.323  -0.589
   26    HB   ILE 159           HB       ILE 159  -1.731   0.859  -0.936
   27    HA   ALA 160           HA       ALA 160  -6.765  -1.692  -0.500
   28    HA   LYS 161           HA       LYS 161  -9.291   0.889   2.704
   29    HA   TYR 163           HA       TYR 163  -6.923   6.192   0.307
   30    HH   TYR 163           HH       TYR 163  -2.980   5.093  -6.189
   31    HA   SER 164           HA       SER 164  -7.492   9.254  -2.803
   32    HG   SER 164           HG       SER 164  -8.413   9.537   0.289
   33    HA   ASN 165           HA       ASN 165  -3.589   8.937  -4.191
   34    HA   GLN 166           HA       GLN 166  -0.815  10.764  -1.327
   35    HA   GLU 167           HA       GLU 167  -3.271  11.016   2.582
   36    HA   ILE 168           HA       ILE 168  -1.688   6.492   3.252
   37    HB   ILE 168           HB       ILE 168  -0.090   6.745   0.687
   38    HA   ALA 169           HA       ALA 169   2.448   8.852   3.003
   39    HA   SER 170           HA       SER 170   0.694  12.260   5.928
   40    HG   SER 170           HG       SER 170  -1.608  13.526   3.532
   41    HA   ALA 171           HA       ALA 171  -2.161   9.227   8.219
   42    HA   SER 172           HA       SER 172   1.316   6.272   8.561
   43    HG   SER 172           HG       SER 172   2.561   4.445   7.713
   44    HA   HIS 173           HA       HIS 173   2.807  11.189   8.227
   45    HA   ILE 174           HA       ILE 174   6.501  10.328   6.140
   46    HB   ILE 174           HB       ILE 174   6.816   8.614   4.393
   47    HA   THR 175           HA       THR 175   5.962  13.217   3.151
   48    HB   THR 175           HB       THR 175   8.462  11.940   2.054
   49    HA   ILE 176           HA       ILE 176   3.530  11.504   0.144
   50    HB   ILE 176           HB       ILE 176   2.608  13.030  -1.536
   51    HA   LYS 177           HA       LYS 177   5.701  11.578  -3.957
   52    HA   THR 178           HA       THR 178   9.045   8.672  -2.529
   53    HB   THR 178           HB       THR 178   9.959   9.877  -0.482
   54    HA   VAL 179           HA       VAL 179   5.538   6.289  -0.406
   55    HB   VAL 179           HB       VAL 179   3.466   8.356  -1.277
   56    HA   LYS 180           HA       LYS 180   4.055   5.714  -4.803
   57    HA   THR 181           HA       THR 181   8.511   4.354  -5.745
   58    HB   THR 181           HB       THR 181   9.517   5.554  -3.145
   59    HA   HIS 182           HA       HIS 182   8.058   1.935  -1.829
   60    HA   VAL 183           HA       VAL 183   3.648   0.918  -2.478
   61    HB   VAL 183           HB       VAL 183   1.882   1.639  -3.955
   62    HA   SER 184           HA       SER 184   5.177  -0.061  -6.823
   63    HG   SER 184           HG       SER 184   6.118   2.971  -7.008
   64    HA   ASN 185           HA       ASN 185   8.625  -2.154  -4.267
   65    HA   ILE 186           HA       ILE 186   5.295  -3.869  -1.515
   66    HB   ILE 186           HB       ILE 186   3.010  -3.423  -0.929
   67    HA   LEU 187           HA       LEU 187   2.733  -4.633  -5.508
   68    HG   LEU 187           HG       LEU 187   2.768  -1.457  -5.703
   69    HA   SER 188           HA       SER 188   6.893  -6.090  -7.295
   70    HG   SER 188           HG       SER 188   7.689  -3.229  -6.883
   71    HA   LYS 189           HA       LYS 189   7.742  -8.179  -2.957
   72    HA   LEU 190           HA       LEU 190   3.266  -9.760  -3.240
   73    HG   LEU 190           HG       LEU 190   3.004  -6.687  -2.210
   74    HA   GLU 191           HA       GLU 191   5.338  -8.931  -7.943
   75    HA   VAL 192           HA       VAL 192   1.119  -7.844  -9.138
   76    HB   VAL 192           HB       VAL 192   1.400  -5.941  -6.787
   77    HA   GLN 193           HA       GLN 193   2.896  -4.392 -11.216
   78    HA   ASP 194           HA       ASP 194  -1.491  -3.724 -12.957
   79    HA   ARG 195           HA       ARG 195  -0.440  -1.668  -8.269
   80    HA   THR 196           HA       THR 196  -5.157  -0.889  -7.678
   81    HB   THR 196           HB       THR 196  -5.969  -2.224 -10.279
   82    HA   GLN 197           HA       GLN 197  -5.657  -5.768  -7.916
   83    HA   ALA 198           HA       ALA 198  -2.661  -5.693  -4.254
   84    HA   VAL 199           HA       VAL 199  -5.803  -2.550  -2.296
   85    HB   VAL 199           HB       VAL 199  -7.045  -1.911  -4.993
   86    HA   ILE 200           HA       ILE 200  -9.387  -5.108  -3.963
   87    HB   ILE 200           HB       ILE 200  -9.338  -4.820  -6.307
   88    HA   TYR 201           HA       TYR 201  -6.746  -9.229  -3.505
   89    HH   TYR 201           HH       TYR 201  -1.567 -13.159  -1.944
   90    HA   ALA 202           HA       ALA 202  -5.436  -7.425   0.663
   91    HA   PHE 203           HA       PHE 203  -9.725  -5.665   1.586
   92    HZ   PHE 203           HZ       PHE 203 -15.162  -3.337   1.816
   93    HA   GLN 204           HA       GLN 204 -11.722  -9.564  -0.280
   94    HA   HIS 205           HA       HIS 205  -8.339 -12.162   1.614
   95    HA   ASN 206           HA       ASN 206  -9.852  -9.771   5.362
   96    HA   LEU 207           HA       LEU 207  -6.679  -6.548   6.242
   97    HG   LEU 207           HG       LEU 207  -4.533  -6.652   5.190
   98    HA   ILE 208           HA       ILE 208 -10.085  -4.612   7.721
   99    HB   ILE 208           HB       ILE 208  -8.581  -5.208   9.591
  100    HA   GLN 209           HA       GLN 209  -7.419  -0.854   5.220
  Start of MODEL    2
    1    HA   GLU 143           HA       GLU 143   0.886 -15.577   2.657
    2    HA   LEU 144           HA       LEU 144   3.006 -12.153   0.469
    3    HG   LEU 144           HG       LEU 144   1.729 -13.337  -1.909
    4    HA   TYR 145           HA       TYR 145   0.869  -8.492   2.543
    5    HH   TYR 145           HH       TYR 145  -2.277  -4.874   7.246
    6    HA   GLU 146           HA       GLU 146   1.669 -11.063   6.461
    7    HA   MET 147           HA       MET 147   6.050 -11.678   4.458
    8    HA   LEU 148           HA       LEU 148   5.750  -6.958   4.350
    9    HG   LEU 148           HG       LEU 148   3.341  -7.605   2.034
   10    HA   THR 149           HA       THR 149   3.968  -6.538   8.496
   11    HB   THR 149           HB       THR 149   5.118  -8.722   8.438
   12    HA   GLU 150           HA       GLU 150   6.108  -2.901   9.819
   13    HA   ARG 151           HA       ARG 151   4.821   0.675   7.428
   14    HA   GLU 152           HA       GLU 152   5.032  -0.757   2.960
   15    HA   MET 153           HA       MET 153   2.135  -4.341   4.594
   16    HA   GLU 154           HA       GLU 154  -0.200  -0.933   6.647
   17    HA   ILE 155           HA       ILE 155   0.387   1.895   3.021
   18    HB   ILE 155           HB       ILE 155   2.855   0.531   1.943
   19    HA   LEU 156           HA       LEU 156  -0.865  -1.653   0.357
   20    HG   LEU 156           HG       LEU 156  -2.245  -4.358   1.204
   21    HA   LEU 157           HA       LEU 157  -4.097  -2.598   3.724
   22    HG   LEU 157           HG       LEU 157  -4.978  -0.946   6.221
   23    HA   LEU 158           HA       LEU 158  -4.648   2.119   3.869
   24    HG   LEU 158           HG       LEU 158  -2.095   1.979   5.350
   25    HA   ILE 159           HA       ILE 159  -4.328   1.942  -0.828
   26    HB   ILE 159           HB       ILE 159  -2.980  -0.758  -0.863
   27    HA   ALA 160           HA       ALA 160  -7.170  -1.930  -0.479
   28    HA   LYS 161           HA       LYS 161  -9.500   0.571   2.948
   29    HA   TYR 163           HA       TYR 163  -6.693   5.960   0.640
   30    HH   TYR 163           HH       TYR 163  -1.852   4.338  -5.532
   31    HA   SER 164           HA       SER 164  -7.406   9.130  -2.276
   32    HG   SER 164           HG       SER 164  -8.086   9.231   0.825
   33    HA   ASN 165           HA       ASN 165  -3.510   9.031  -4.071
   34    HA   GLN 166           HA       GLN 166  -0.854  11.259  -1.181
   35    HA   GLU 167           HA       GLU 167  -3.186  11.110   2.836
   36    HA   ILE 168           HA       ILE 168  -1.428   6.661   3.428
   37    HB   ILE 168           HB       ILE 168   0.104   6.873   0.820
   38    HA   ALA 169           HA       ALA 169   2.774   8.995   3.168
   39    HA   SER 170           HA       SER 170   0.897  12.174   6.255
   40    HG   SER 170           HG       SER 170  -1.677  13.477   4.137
   41    HA   ALA 171           HA       ALA 171  -1.463   8.671   8.405
   42    HA   SER 172           HA       SER 172   2.285   5.949   8.054
   43    HG   SER 172           HG       SER 172   2.084   4.768   6.280
   44    HA   HIS 173           HA       HIS 173   4.619  10.314   8.992
   45    HA   ILE 174           HA       ILE 174   7.606  10.702   5.501
   46    HB   ILE 174           HB       ILE 174   8.188   9.155   3.650
   47    HA   THR 175           HA       THR 175   5.769  13.081   2.497
   48    HB   THR 175           HB       THR 175   7.382  13.987   0.788
   49    HA   ILE 176           HA       ILE 176   3.796  11.055  -0.491
   50    HB   ILE 176           HB       ILE 176   2.800  12.310  -2.435
   51    HA   LYS 177           HA       LYS 177   6.305  10.667  -4.424
   52    HA   THR 178           HA       THR 178   9.523   8.398  -1.676
   53    HB   THR 178           HB       THR 178   8.140   9.475   0.793
   54    HA   VAL 179           HA       VAL 179   5.616   6.189  -0.027
   55    HB   VAL 179           HB       VAL 179   3.732   8.375  -0.929
   56    HA   LYS 180           HA       LYS 180   4.019   5.612  -4.226
   57    HA   THR 181           HA       THR 181   8.319   4.417  -5.699
   58    HB   THR 181           HB       THR 181   9.609   5.504  -3.192
   59    HA   HIS 182           HA       HIS 182   8.051   1.926  -1.787
   60    HA   VAL 183           HA       VAL 183   3.620   0.972  -2.439
   61    HB   VAL 183           HB       VAL 183   1.840   1.735  -3.823
   62    HA   SER 184           HA       SER 184   5.066  -0.048  -6.804
   63    HG   SER 184           HG       SER 184   6.388   2.433  -8.634
   64    HA   ASN 185           HA       ASN 185   8.899  -1.792  -4.306
   65    HA   ILE 186           HA       ILE 186   5.765  -3.802  -1.565
   66    HB   ILE 186           HB       ILE 186   3.463  -3.544  -0.880
   67    HA   LEU 187           HA       LEU 187   3.078  -4.633  -5.337
   68    HG   LEU 187           HG       LEU 187   2.675  -1.495  -5.594
   69    HA   SER 188           HA       SER 188   7.224  -5.973  -7.292
   70    HG   SER 188           HG       SER 188   7.832  -3.649  -7.358
   71    HA   LYS 189           HA       LYS 189   7.968  -8.217  -3.091
   72    HA   LEU 190           HA       LEU 190   3.355  -9.364  -2.977
   73    HG   LEU 190           HG       LEU 190   3.227  -6.332  -1.984
   74    HA   GLU 191           HA       GLU 191   5.449  -8.995  -7.712
   75    HA   VAL 192           HA       VAL 192   1.472  -8.081  -9.492
   76    HB   VAL 192           HB       VAL 192   0.186  -8.768  -7.472
   77    HA   GLN 193           HA       GLN 193   2.236  -3.824  -9.602
   78    HA   ASP 194           HA       ASP 194  -1.527  -3.129 -12.419
   79    HA   ARG 195           HA       ARG 195  -1.671  -1.917  -7.308
   80    HA   THR 196           HA       THR 196  -6.348  -1.104  -7.751
   81    HB   THR 196           HB       THR 196  -6.639  -2.615 -10.367
   82    HA   GLN 197           HA       GLN 197  -6.374  -5.992  -8.078
   83    HA   ALA 198           HA       ALA 198  -3.158  -5.770  -4.656
   84    HA   VAL 199           HA       VAL 199  -6.314  -2.782  -2.447
   85    HB   VAL 199           HB       VAL 199  -7.937  -2.412  -4.992
   86    HA   ILE 200           HA       ILE 200  -9.622  -5.885  -3.686
   87    HB   ILE 200           HB       ILE 200 -10.042  -5.726  -5.964
   88    HA   TYR 201           HA       TYR 201  -6.422  -9.602  -3.605
   89    HH   TYR 201           HH       TYR 201  -0.609 -12.780  -2.433
   90    HA   ALA 202           HA       ALA 202  -5.106  -7.679   0.431
   91    HA   PHE 203           HA       PHE 203  -9.168  -5.895   2.006
   92    HZ   PHE 203           HZ       PHE 203 -14.750  -3.500   2.617
   93    HA   GLN 204           HA       GLN 204 -12.144  -8.736  -0.103
   94    HA   HIS 205           HA       HIS 205  -9.726 -12.425   0.539
   95    HA   ASN 206           HA       ASN 206  -7.366 -11.791   4.273
   96    HA   LEU 207           HA       LEU 207  -5.961  -7.722   5.677
   97    HG   LEU 207           HG       LEU 207  -3.940  -6.761   4.800
   98    HA   ILE 208           HA       ILE 208  -9.023  -6.360   8.048
   99    HB   ILE 208           HB       ILE 208  -7.500  -3.743   8.086
  100    HA   GLN 209           HA       GLN 209 -11.648  -3.970   5.441
  Start of MODEL    3
    1    HA   GLU 143           HA       GLU 143   0.302 -16.686   0.251
    2    HA   LEU 144           HA       LEU 144   2.676 -12.913  -0.873
    3    HG   LEU 144           HG       LEU 144   0.112 -13.170  -2.755
    4    HA   TYR 145           HA       TYR 145   1.125  -9.472   2.151
    5    HH   TYR 145           HH       TYR 145  -0.228  -8.141   8.694
    6    HA   GLU 146           HA       GLU 146   3.125 -12.077   5.706
    7    HA   MET 147           HA       MET 147   7.083 -11.147   3.713
    8    HA   LEU 148           HA       LEU 148   6.109  -6.852   3.292
    9    HG   LEU 148           HG       LEU 148   3.651  -7.692   1.471
   10    HA   THR 149           HA       THR 149   5.951  -6.811   7.658
   11    HB   THR 149           HB       THR 149   8.321  -6.277   8.443
   12    HA   GLU 150           HA       GLU 150   5.049  -3.479  10.307
   13    HA   ARG 151           HA       ARG 151   4.063  -0.104   7.692
   14    HA   GLU 152           HA       GLU 152   5.099  -1.514   3.289
   15    HA   MET 153           HA       MET 153   1.628  -4.589   4.763
   16    HA   GLU 154           HA       GLU 154  -0.218  -0.611   6.732
   17    HA   ILE 155           HA       ILE 155   0.790   1.801   2.780
   18    HB   ILE 155           HB       ILE 155   3.002  -0.044   1.794
   19    HA   LEU 156           HA       LEU 156  -0.774  -1.849   0.355
   20    HG   LEU 156           HG       LEU 156  -2.317  -4.494   1.288
   21    HA   LEU 157           HA       LEU 157  -4.136  -2.321   3.827
   22    HG   LEU 157           HG       LEU 157  -4.786  -0.297   6.089
   23    HA   LEU 158           HA       LEU 158  -4.379   2.358   3.499
   24    HG   LEU 158           HG       LEU 158  -1.864   2.221   5.267
   25    HA   ILE 159           HA       ILE 159  -3.688   2.307  -1.070
   26    HB   ILE 159           HB       ILE 159  -1.590   0.644  -1.289
   27    HA   ALA 160           HA       ALA 160  -6.923  -1.336  -0.788
   28    HA   LYS 161           HA       LYS 161  -8.763   1.871   2.517
   29    HA   TYR 163           HA       TYR 163  -8.150   6.660  -0.045
   30    HH   TYR 163           HH       TYR 163  -3.083   4.252  -5.302
   31    HA   SER 164           HA       SER 164  -7.868   9.018  -3.679
   32    HG   SER 164           HG       SER 164  -9.643  11.467  -0.962
   33    HA   ASN 165           HA       ASN 165  -4.242  10.761  -5.115
   34    HA   GLN 166           HA       GLN 166  -1.557  10.135  -1.507
   35    HA   GLU 167           HA       GLU 167  -4.216  10.613   2.564
   36    HA   ILE 168           HA       ILE 168  -1.949   6.317   3.175
   37    HB   ILE 168           HB       ILE 168  -0.401   6.776   0.607
   38    HA   ALA 169           HA       ALA 169   2.008   8.960   2.894
   39    HA   SER 170           HA       SER 170  -0.266  12.348   5.490
   40    HG   SER 170           HG       SER 170  -1.377  12.896   3.557
   41    HA   ALA 171           HA       ALA 171  -1.868   8.890   8.329
   42    HA   SER 172           HA       SER 172   2.192   6.460   7.958
   43    HG   SER 172           HG       SER 172   2.006   4.919   6.261
   44    HA   HIS 173           HA       HIS 173   2.506  11.681   7.520
   45    HA   ILE 174           HA       ILE 174   6.424  11.264   5.648
   46    HB   ILE 174           HB       ILE 174   7.297   9.403   4.267
   47    HA   THR 175           HA       THR 175   5.665  13.455   2.142
   48    HB   THR 175           HB       THR 175   8.351  12.374   1.302
   49    HA   ILE 176           HA       ILE 176   3.632  10.905  -0.531
   50    HB   ILE 176           HB       ILE 176   2.695  11.853  -2.561
   51    HA   LYS 177           HA       LYS 177   6.267  10.147  -4.120
   52    HA   THR 178           HA       THR 178   9.269   7.754  -1.713
   53    HB   THR 178           HB       THR 178  10.145   9.166   0.172
   54    HA   VAL 179           HA       VAL 179   5.297   5.933   0.118
   55    HB   VAL 179           HB       VAL 179   3.600   8.188  -1.024
   56    HA   LYS 180           HA       LYS 180   4.076   5.668  -4.364
   57    HA   THR 181           HA       THR 181   8.583   4.200  -5.057
   58    HB   THR 181           HB       THR 181   9.417   5.389  -2.388
   59    HA   HIS 182           HA       HIS 182   7.744   1.711  -1.192
   60    HA   VAL 183           HA       VAL 183   3.444   0.705  -2.472
   61    HB   VAL 183           HB       VAL 183   1.830   1.504  -4.077
   62    HA   SER 184           HA       SER 184   5.216  -0.019  -6.811
   63    HG   SER 184           HG       SER 184   6.144   3.075  -6.693
   64    HA   ASN 185           HA       ASN 185   8.751  -2.157  -4.546
   65    HA   ILE 186           HA       ILE 186   5.882  -4.087  -1.509
   66    HB   ILE 186           HB       ILE 186   3.536  -3.857  -0.852
   67    HA   LEU 187           HA       LEU 187   2.873  -4.867  -5.146
   68    HG   LEU 187           HG       LEU 187   2.664  -1.799  -5.179
   69    HA   SER 188           HA       SER 188   6.692  -6.082  -7.637
   70    HG   SER 188           HG       SER 188   7.634  -3.101  -7.002
   71    HA   LYS 189           HA       LYS 189   8.092  -8.463  -3.781
   72    HA   LEU 190           HA       LEU 190   3.581  -9.743  -3.210
   73    HG   LEU 190           HG       LEU 190   3.313  -6.703  -2.187
   74    HA   GLU 191           HA       GLU 191   5.239  -9.296  -8.159
   75    HA   VAL 192           HA       VAL 192   1.201  -8.238  -9.455
   76    HB   VAL 192           HB       VAL 192   0.294  -8.567  -7.104
   77    HA   GLN 193           HA       GLN 193   2.476  -4.096 -10.158
   78    HA   ASP 194           HA       ASP 194  -1.540  -2.983 -12.491
   79    HA   ARG 195           HA       ARG 195  -1.021  -1.342  -7.516
   80    HA   THR 196           HA       THR 196  -5.708  -0.559  -7.462
   81    HB   THR 196           HB       THR 196  -6.166  -1.747 -10.201
   82    HA   GLN 197           HA       GLN 197  -6.284  -5.338  -8.022
   83    HA   ALA 198           HA       ALA 198  -3.196  -5.770  -4.463
   84    HA   VAL 199           HA       VAL 199  -5.899  -2.308  -2.381
   85    HB   VAL 199           HB       VAL 199  -7.286  -1.798  -5.036
   86    HA   ILE 200           HA       ILE 200  -9.512  -5.006  -3.828
   87    HB   ILE 200           HB       ILE 200  -8.167  -5.872  -6.381
   88    HA   TYR 201           HA       TYR 201  -6.833  -9.039  -3.220
   89    HH   TYR 201           HH       TYR 201  -1.630 -13.043  -2.077
   90    HA   ALA 202           HA       ALA 202  -5.336  -7.228   0.904
   91    HA   PHE 203           HA       PHE 203  -9.552  -5.086   1.778
   92    HZ   PHE 203           HZ       PHE 203 -15.263  -3.260   1.272
   93    HA   GLN 204           HA       GLN 204 -11.556  -9.012  -0.557
   94    HA   HIS 205           HA       HIS 205  -9.293 -11.522   2.382
   95    HA   ASN 206           HA       ASN 206  -9.919  -8.289   5.618
   96    HA   LEU 207           HA       LEU 207  -6.352  -5.541   6.024
   97    HG   LEU 207           HG       LEU 207  -4.219  -6.629   5.457
   98    HA   ILE 208           HA       ILE 208  -8.109  -1.863   5.408
   99    HB   ILE 208           HB       ILE 208  -9.798  -2.875   3.976
  100    HA   GLN 209           HA       GLN 209  -9.414  -1.050   9.454
  Start of MODEL    4
    1    HA   GLU 143           HA       GLU 143  -0.499 -15.119   2.117
    2    HA   LEU 144           HA       LEU 144   2.745 -12.333   0.248
    3    HG   LEU 144           HG       LEU 144   1.297 -13.344  -2.116
    4    HA   TYR 145           HA       TYR 145   1.063  -8.320   2.198
    5    HH   TYR 145           HH       TYR 145  -1.957  -5.929   8.083
    6    HA   GLU 146           HA       GLU 146   1.733 -10.918   6.220
    7    HA   MET 147           HA       MET 147   6.029 -11.414   4.386
    8    HA   LEU 148           HA       LEU 148   5.958  -6.890   3.200
    9    HG   LEU 148           HG       LEU 148   3.442  -7.396   1.352
   10    HA   THR 149           HA       THR 149   5.525  -5.728   7.356
   11    HB   THR 149           HB       THR 149   6.617  -7.970   7.492
   12    HA   GLU 150           HA       GLU 150   7.455  -2.260   9.290
   13    HA   ARG 151           HA       ARG 151   5.219   0.812   7.195
   14    HA   GLU 152           HA       GLU 152   5.227  -1.207   2.755
   15    HA   MET 153           HA       MET 153   2.070  -4.302   4.797
   16    HA   GLU 154           HA       GLU 154   0.380  -0.465   7.196
   17    HA   ILE 155           HA       ILE 155   0.600   2.073   3.354
   18    HB   ILE 155           HB       ILE 155   3.098   0.885   2.199
   19    HA   LEU 156           HA       LEU 156  -0.746  -1.274   0.563
   20    HG   LEU 156           HG       LEU 156  -2.215  -3.943   1.174
   21    HA   LEU 157           HA       LEU 157  -3.852  -2.274   3.946
   22    HG   LEU 157           HG       LEU 157  -4.609  -0.552   6.473
   23    HA   LEU 158           HA       LEU 158  -4.397   2.410   4.155
   24    HG   LEU 158           HG       LEU 158  -1.571   2.497   5.432
   25    HA   ILE 159           HA       ILE 159  -4.280   2.172  -0.640
   26    HB   ILE 159           HB       ILE 159  -2.988  -0.566  -0.525
   27    HA   ALA 160           HA       ALA 160  -6.933  -1.812   0.068
   28    HA   LYS 161           HA       LYS 161  -9.112   0.541   3.613
   29    HA   TYR 163           HA       TYR 163  -7.146   6.145   1.304
   30    HH   TYR 163           HH       TYR 163  -3.781   5.234  -5.560
   31    HA   SER 164           HA       SER 164  -8.239   8.775  -1.934
   32    HG   SER 164           HG       SER 164  -9.931  10.441  -2.100
   33    HA   ASN 165           HA       ASN 165  -5.757  11.953  -3.439
   34    HA   GLN 166           HA       GLN 166  -2.143   9.460  -1.648
   35    HA   GLU 167           HA       GLU 167  -3.338  11.081   2.599
   36    HA   ILE 168           HA       ILE 168  -1.580   6.535   3.314
   37    HB   ILE 168           HB       ILE 168  -0.175   6.906   0.652
   38    HA   ALA 169           HA       ALA 169   2.417   9.077   2.717
   39    HA   SER 170           HA       SER 170   0.619  12.621   5.426
   40    HG   SER 170           HG       SER 170  -1.511  14.108   3.691
   41    HA   ALA 171           HA       ALA 171  -1.712   9.478   8.204
   42    HA   SER 172           HA       SER 172   1.911   6.741   8.289
   43    HG   SER 172           HG       SER 172   2.862   4.845   7.302
   44    HA   HIS 173           HA       HIS 173   2.973  11.724   7.561
   45    HA   ILE 174           HA       ILE 174   6.890  10.981   5.963
   46    HB   ILE 174           HB       ILE 174   7.543   9.133   4.461
   47    HA   THR 175           HA       THR 175   6.286  13.365   2.584
   48    HB   THR 175           HB       THR 175   8.209  13.565   0.980
   49    HA   ILE 176           HA       ILE 176   3.948  11.490  -0.422
   50    HB   ILE 176           HB       ILE 176   4.932  13.746  -2.187
   51    HA   LYS 177           HA       LYS 177   7.220  11.121  -3.963
   52    HA   THR 178           HA       THR 178   9.547   7.981  -1.550
   53    HB   THR 178           HB       THR 178  10.354   9.069   0.529
   54    HA   VAL 179           HA       VAL 179   5.462   6.089   0.004
   55    HB   VAL 179           HB       VAL 179   3.893   8.395  -1.182
   56    HA   LYS 180           HA       LYS 180   4.411   6.089  -4.640
   57    HA   THR 181           HA       THR 181   8.789   4.155  -5.173
   58    HB   THR 181           HB       THR 181   9.692   5.092  -2.446
   59    HA   HIS 182           HA       HIS 182   7.847   1.670  -1.230
   60    HA   VAL 183           HA       VAL 183   3.524   0.867  -2.540
   61    HB   VAL 183           HB       VAL 183   1.931   1.766  -4.146
   62    HA   SER 184           HA       SER 184   5.300   0.140  -6.878
   63    HG   SER 184           HG       SER 184   6.209   3.085  -6.601
   64    HA   ASN 185           HA       ASN 185   8.744  -2.264  -4.595
   65    HA   ILE 186           HA       ILE 186   5.727  -4.081  -1.674
   66    HB   ILE 186           HB       ILE 186   3.450  -3.618  -0.923
   67    HA   LEU 187           HA       LEU 187   2.700  -4.667  -5.269
   68    HG   LEU 187           HG       LEU 187   2.378  -1.542  -5.482
   69    HA   SER 188           HA       SER 188   6.586  -5.973  -7.674
   70    HG   SER 188           HG       SER 188   7.419  -3.174  -7.130
   71    HA   LYS 189           HA       LYS 189   7.743  -8.595  -4.037
   72    HA   LEU 190           HA       LEU 190   3.210  -9.415  -3.138
   73    HG   LEU 190           HG       LEU 190   3.061  -6.384  -2.183
   74    HA   GLU 191           HA       GLU 191   4.946  -9.549  -7.993
   75    HA   VAL 192           HA       VAL 192   0.996  -8.330  -9.532
   76    HB   VAL 192           HB       VAL 192  -0.129  -8.741  -7.343
   77    HA   GLN 193           HA       GLN 193   1.809  -4.116 -10.083
   78    HA   ASP 194           HA       ASP 194  -1.550  -2.024 -11.494
   79    HA   ARG 195           HA       ARG 195  -1.980  -0.728  -7.373
   80    HA   THR 196           HA       THR 196  -6.746  -0.984  -7.255
   81    HB   THR 196           HB       THR 196  -7.051  -1.929 -10.101
   82    HA   GLN 197           HA       GLN 197  -6.608  -5.599  -8.090
   83    HA   ALA 198           HA       ALA 198  -3.281  -5.818  -4.703
   84    HA   VAL 199           HA       VAL 199  -6.448  -3.027  -2.385
   85    HB   VAL 199           HB       VAL 199  -7.851  -2.214  -4.970
   86    HA   ILE 200           HA       ILE 200  -9.775  -5.895  -4.439
   87    HB   ILE 200           HB       ILE 200  -7.867  -6.905  -6.557
   88    HA   TYR 201           HA       TYR 201  -6.657  -9.582  -3.609
   89    HH   TYR 201           HH       TYR 201  -1.127 -13.061  -2.247
   90    HA   ALA 202           HA       ALA 202  -5.885  -7.382   0.622
   91    HA   PHE 203           HA       PHE 203 -10.605  -6.762   1.088
   92    HZ   PHE 203           HZ       PHE 203 -11.983  -1.093   0.358
   93    HA   GLN 204           HA       GLN 204 -11.178 -10.776  -1.557
   94    HA   HIS 205           HA       HIS 205  -9.267 -12.784   1.705
   95    HA   ASN 206           HA       ASN 206  -8.247 -11.207   5.642
   96    HA   LEU 207           HA       LEU 207  -6.150  -7.268   5.745
   97    HG   LEU 207           HG       LEU 207  -4.171  -7.066   4.424
   98    HA   ILE 208           HA       ILE 208  -9.640  -5.482   7.050
   99    HB   ILE 208           HB       ILE 208  -8.006  -2.958   6.750
  100    HA   GLN 209           HA       GLN 209 -12.069  -4.058   3.738
  Start of MODEL    5
    1    HA   GLU 143           HA       GLU 143   1.776 -15.810   1.521
    2    HA   LEU 144           HA       LEU 144   2.922 -12.061  -1.108
    3    HG   LEU 144           HG       LEU 144   0.266 -13.077  -2.681
    4    HA   TYR 145           HA       TYR 145   0.980  -8.929   2.015
    5    HH   TYR 145           HH       TYR 145  -0.312  -7.450   8.428
    6    HA   GLU 146           HA       GLU 146   2.496 -11.647   5.580
    7    HA   MET 147           HA       MET 147   6.628 -11.482   3.512
    8    HA   LEU 148           HA       LEU 148   5.863  -6.832   3.222
    9    HG   LEU 148           HG       LEU 148   3.063  -7.417   1.691
   10    HA   THR 149           HA       THR 149   6.147  -6.846   7.544
   11    HB   THR 149           HB       THR 149   8.641  -5.297   6.796
   12    HA   GLU 150           HA       GLU 150   5.400  -3.011   9.688
   13    HA   ARG 151           HA       ARG 151   3.985   0.508   7.743
   14    HA   GLU 152           HA       GLU 152   5.008  -0.935   3.306
   15    HA   MET 153           HA       MET 153   1.444  -4.007   5.029
   16    HA   GLU 154           HA       GLU 154  -0.280   0.173   6.763
   17    HA   ILE 155           HA       ILE 155   0.641   2.340   2.639
   18    HB   ILE 155           HB       ILE 155   2.596   0.294   1.534
   19    HA   LEU 156           HA       LEU 156  -0.991  -1.309   0.272
   20    HG   LEU 156           HG       LEU 156  -2.470  -3.972   1.105
   21    HA   LEU 157           HA       LEU 157  -4.308  -2.002   3.738
   22    HG   LEU 157           HG       LEU 157  -4.959   0.267   5.935
   23    HA   LEU 158           HA       LEU 158  -4.859   2.639   3.411
   24    HG   LEU 158           HG       LEU 158  -2.058   2.707   4.763
   25    HA   ILE 159           HA       ILE 159  -4.423   2.258  -1.340
   26    HB   ILE 159           HB       ILE 159  -3.230  -0.521  -1.089
   27    HA   ALA 160           HA       ALA 160  -7.371  -1.550  -0.781
   28    HA   LYS 161           HA       LYS 161  -9.468   1.010   2.714
   29    HA   TYR 163           HA       TYR 163  -7.474   6.874  -0.269
   30    HH   TYR 163           HH       TYR 163  -3.755   4.707  -6.642
   31    HA   SER 164           HA       SER 164  -7.091   9.983  -3.359
   32    HG   SER 164           HG       SER 164  -7.941  12.254  -3.155
   33    HA   ASN 165           HA       ASN 165  -2.798  10.623  -3.597
   34    HA   GLN 166           HA       GLN 166  -1.924  13.091   0.470
   35    HA   GLU 167           HA       GLU 167  -4.379   9.935   3.200
   36    HA   ILE 168           HA       ILE 168  -1.628   6.209   2.235
   37    HB   ILE 168           HB       ILE 168  -0.154   7.386  -0.145
   38    HA   ALA 169           HA       ALA 169   2.157   8.957   2.552
   39    HA   SER 170           HA       SER 170   0.416  11.841   5.919
   40    HG   SER 170           HG       SER 170  -1.621  12.787   3.587
   41    HA   ALA 171           HA       ALA 171  -1.895   8.505   8.057
   42    HA   SER 172           HA       SER 172   1.552   5.477   7.262
   43    HG   SER 172           HG       SER 172   3.980   5.564   6.511
   44    HA   HIS 173           HA       HIS 173   2.731  10.505   8.117
   45    HA   ILE 174           HA       ILE 174   6.761   9.819   6.474
   46    HB   ILE 174           HB       ILE 174   7.527   8.215   4.810
   47    HA   THR 175           HA       THR 175   6.700  12.713   3.411
   48    HB   THR 175           HB       THR 175   9.281  11.367   2.602
   49    HA   ILE 176           HA       ILE 176   4.524  11.042   0.088
   50    HB   ILE 176           HB       ILE 176   4.061  12.535  -1.802
   51    HA   LYS 177           HA       LYS 177   7.579  10.737  -3.459
   52    HA   THR 178           HA       THR 178   9.925   7.537  -0.703
   53    HB   THR 178           HB       THR 178   8.345   8.418   1.726
   54    HA   VAL 179           HA       VAL 179   5.418   5.950   0.004
   55    HB   VAL 179           HB       VAL 179   4.235   8.466  -1.224
   56    HA   LYS 180           HA       LYS 180   4.837   6.314  -4.732
   57    HA   THR 181           HA       THR 181   9.071   4.186  -5.319
   58    HB   THR 181           HB       THR 181  10.139   4.906  -2.577
   59    HA   HIS 182           HA       HIS 182   7.953   1.501  -1.670
   60    HA   VAL 183           HA       VAL 183   3.607   1.012  -2.859
   61    HB   VAL 183           HB       VAL 183   2.093   2.012  -4.503
   62    HA   SER 184           HA       SER 184   5.474   0.186  -7.163
   63    HG   SER 184           HG       SER 184   6.154   2.227  -8.449
   64    HA   ASN 185           HA       ASN 185   8.897  -2.039  -4.553
   65    HA   ILE 186           HA       ILE 186   5.731  -3.960  -1.833
   66    HB   ILE 186           HB       ILE 186   3.410  -3.579  -1.156
   67    HA   LEU 187           HA       LEU 187   2.687  -4.525  -5.302
   68    HG   LEU 187           HG       LEU 187   2.380  -1.385  -5.535
   69    HA   SER 188           HA       SER 188   6.380  -6.061  -7.806
   70    HG   SER 188           HG       SER 188   7.520  -3.125  -7.420
   71    HA   LYS 189           HA       LYS 189   7.770  -8.166  -3.771
   72    HA   LEU 190           HA       LEU 190   3.262  -9.267  -2.842
   73    HG   LEU 190           HG       LEU 190   3.151  -6.317  -1.894
   74    HA   GLU 191           HA       GLU 191   4.782  -9.335  -7.771
   75    HA   VAL 192           HA       VAL 192   0.678  -8.256  -9.040
   76    HB   VAL 192           HB       VAL 192  -0.133  -8.438  -6.660
   77    HA   GLN 193           HA       GLN 193   1.748  -4.062  -9.995
   78    HA   ASP 194           HA       ASP 194  -2.272  -3.356 -12.414
   79    HA   ARG 195           HA       ARG 195  -1.807  -1.757  -7.431
   80    HA   THR 196           HA       THR 196  -6.531  -1.081  -7.399
   81    HB   THR 196           HB       THR 196  -6.970  -2.309 -10.143
   82    HA   GLN 197           HA       GLN 197  -6.700  -5.863  -7.820
   83    HA   ALA 198           HA       ALA 198  -3.354  -5.774  -4.466
   84    HA   VAL 199           HA       VAL 199  -6.406  -2.551  -2.344
   85    HB   VAL 199           HB       VAL 199  -8.041  -2.445  -4.904
   86    HA   ILE 200           HA       ILE 200  -9.675  -5.761  -3.494
   87    HB   ILE 200           HB       ILE 200  -8.438  -6.419  -6.160
   88    HA   TYR 201           HA       TYR 201  -6.511  -9.381  -2.994
   89    HH   TYR 201           HH       TYR 201  -1.415 -12.675  -0.460
   90    HA   ALA 202           HA       ALA 202  -5.128  -7.281   0.986
   91    HA   PHE 203           HA       PHE 203  -9.647  -5.928   1.849
   92    HZ   PHE 203           HZ       PHE 203 -15.579  -5.128   1.553
   93    HA   GLN 204           HA       GLN 204 -11.013 -10.169   0.251
   94    HA   HIS 205           HA       HIS 205  -7.564 -11.988   2.725
   95    HA   ASN 206           HA       ASN 206  -9.530  -8.493   5.303
   96    HA   LEU 207           HA       LEU 207  -6.218  -5.418   6.116
   97    HG   LEU 207           HG       LEU 207  -3.945  -6.008   5.454
   98    HA   ILE 208           HA       ILE 208  -8.646  -2.027   5.446
   99    HB   ILE 208           HB       ILE 208 -11.016  -1.927   5.580
  100    HA   GLN 209           HA       GLN 209  -9.521   0.736   8.684
  Start of MODEL    6
    1    HA   GLU 143           HA       GLU 143   0.170 -16.106   0.724
    2    HA   LEU 144           HA       LEU 144   2.199 -12.314  -0.895
    3    HG   LEU 144           HG       LEU 144  -0.664 -12.535  -2.479
    4    HA   TYR 145           HA       TYR 145   1.151  -8.895   2.385
    5    HH   TYR 145           HH       TYR 145  -2.014  -5.191   7.254
    6    HA   GLU 146           HA       GLU 146   1.739 -13.091   5.017
    7    HA   MET 147           HA       MET 147   6.074 -11.789   4.791
    8    HA   LEU 148           HA       LEU 148   5.537  -7.321   4.507
    9    HG   LEU 148           HG       LEU 148   3.134  -7.803   2.275
   10    HA   THR 149           HA       THR 149   4.890  -7.694   8.884
   11    HB   THR 149           HB       THR 149   6.987  -8.663   9.914
   12    HA   GLU 150           HA       GLU 150   7.314  -3.891   9.271
   13    HA   ARG 151           HA       ARG 151   4.584  -0.526   8.205
   14    HA   GLU 152           HA       GLU 152   4.947  -1.313   3.409
   15    HA   MET 153           HA       MET 153   1.317  -4.309   5.162
   16    HA   GLU 154           HA       GLU 154  -0.277  -0.258   7.457
   17    HA   ILE 155           HA       ILE 155   0.284   2.176   3.529
   18    HB   ILE 155           HB       ILE 155   2.822   0.853   2.613
   19    HA   LEU 156           HA       LEU 156  -0.872  -1.239   0.666
   20    HG   LEU 156           HG       LEU 156  -2.340  -4.017   1.379
   21    HA   LEU 157           HA       LEU 157  -4.356  -2.176   3.770
   22    HG   LEU 157           HG       LEU 157  -5.333  -0.525   6.324
   23    HA   LEU 158           HA       LEU 158  -4.799   2.581   3.730
   24    HG   LEU 158           HG       LEU 158  -2.263   2.573   5.317
   25    HA   ILE 159           HA       ILE 159  -4.049   2.149  -1.005
   26    HB   ILE 159           HB       ILE 159  -2.944  -0.640  -0.645
   27    HA   ALA 160           HA       ALA 160  -7.067  -1.601  -0.672
   28    HA   LYS 161           HA       LYS 161  -9.767   1.165   2.337
   29    HA   TYR 163           HA       TYR 163  -6.995   6.307   0.210
   30    HH   TYR 163           HH       TYR 163  -1.611   4.503  -5.409
   31    HA   SER 164           HA       SER 164  -7.316   9.471  -2.810
   32    HG   SER 164           HG       SER 164  -7.970   9.856   0.352
   33    HA   ASN 165           HA       ASN 165  -3.595   8.867  -4.662
   34    HA   GLN 166           HA       GLN 166  -0.741   9.723  -1.473
   35    HA   GLU 167           HA       GLU 167  -2.970  11.365   2.220
   36    HA   ILE 168           HA       ILE 168  -1.561   6.782   3.192
   37    HB   ILE 168           HB       ILE 168   0.064   6.968   0.652
   38    HA   ALA 169           HA       ALA 169   2.708   9.002   3.036
   39    HA   SER 170           HA       SER 170   0.876  12.323   6.001
   40    HG   SER 170           HG       SER 170  -0.319  13.821   4.597
   41    HA   ALA 171           HA       ALA 171  -1.347   8.846   8.394
   42    HA   SER 172           HA       SER 172   2.314   5.936   7.732
   43    HG   SER 172           HG       SER 172   1.385   6.081   4.792
   44    HA   HIS 173           HA       HIS 173   3.603  10.974   8.168
   45    HA   ILE 174           HA       ILE 174   7.396  10.406   6.097
   46    HB   ILE 174           HB       ILE 174   8.042   8.745   4.403
   47    HA   THR 175           HA       THR 175   6.794  13.051   2.948
   48    HB   THR 175           HB       THR 175   8.675  13.271   1.213
   49    HA   ILE 176           HA       ILE 176   4.151  11.514   0.221
   50    HB   ILE 176           HB       ILE 176   3.243  13.145  -1.410
   51    HA   LYS 177           HA       LYS 177   6.010  10.998  -3.913
   52    HA   THR 178           HA       THR 178   9.551   8.396  -2.009
   53    HB   THR 178           HB       THR 178   8.490   9.210   0.705
   54    HA   VAL 179           HA       VAL 179   5.653   6.224  -0.150
   55    HB   VAL 179           HB       VAL 179   3.856   8.498  -1.015
   56    HA   LYS 180           HA       LYS 180   4.052   5.912  -4.463
   57    HA   THR 181           HA       THR 181   8.496   4.564  -5.769
   58    HB   THR 181           HB       THR 181   9.620   5.570  -3.136
   59    HA   HIS 182           HA       HIS 182   8.171   2.121  -1.638
   60    HA   VAL 183           HA       VAL 183   3.750   1.055  -2.480
   61    HB   VAL 183           HB       VAL 183   1.902   1.811  -3.822
   62    HA   SER 184           HA       SER 184   4.854   0.230  -6.989
   63    HG   SER 184           HG       SER 184   6.130   0.460  -8.970
   64    HA   ASN 185           HA       ASN 185   8.619  -1.946  -4.998
   65    HA   ILE 186           HA       ILE 186   5.821  -3.888  -1.874
   66    HB   ILE 186           HB       ILE 186   3.487  -3.493  -1.072
   67    HA   LEU 187           HA       LEU 187   2.507  -4.378  -5.222
   68    HG   LEU 187           HG       LEU 187   2.559  -1.178  -5.460
   69    HA   SER 188           HA       SER 188   6.327  -5.867  -7.699
   70    HG   SER 188           HG       SER 188   7.244  -2.978  -7.233
   71    HA   LYS 189           HA       LYS 189   7.802  -7.880  -3.462
   72    HA   LEU 190           HA       LEU 190   3.237  -9.328  -2.805
   73    HG   LEU 190           HG       LEU 190   3.153  -6.289  -1.959
   74    HA   GLU 191           HA       GLU 191   4.701  -9.106  -7.797
   75    HA   VAL 192           HA       VAL 192   0.446  -7.854  -8.573
   76    HB   VAL 192           HB       VAL 192   1.305  -5.686  -6.635
   77    HA   GLN 193           HA       GLN 193   2.528  -6.071 -11.856
   78    HA   ASP 194           HA       ASP 194   0.195  -2.450 -12.478
   79    HA   ARG 195           HA       ARG 195  -0.812  -1.643  -7.729
   80    HA   THR 196           HA       THR 196  -5.675  -1.540  -7.588
   81    HB   THR 196           HB       THR 196  -5.975  -2.874 -10.280
   82    HA   GLN 197           HA       GLN 197  -5.588  -6.423  -8.029
   83    HA   ALA 198           HA       ALA 198  -2.729  -6.019  -4.236
   84    HA   VAL 199           HA       VAL 199  -6.086  -2.906  -2.547
   85    HB   VAL 199           HB       VAL 199  -7.349  -2.609  -5.294
   86    HA   ILE 200           HA       ILE 200  -9.427  -5.826  -4.107
   87    HB   ILE 200           HB       ILE 200  -9.221  -5.746  -6.506
   88    HA   TYR 201           HA       TYR 201  -6.699  -9.703  -3.111
   89    HH   TYR 201           HH       TYR 201  -2.602 -12.096   1.510
   90    HA   ALA 202           HA       ALA 202  -5.538  -7.425   0.891
   91    HA   PHE 203           HA       PHE 203 -10.019  -5.723   1.200
   92    HZ   PHE 203           HZ       PHE 203 -15.571  -3.868  -0.020
   93    HA   GLN 204           HA       GLN 204 -11.832  -9.764  -0.364
   94    HA   HIS 205           HA       HIS 205  -9.153 -12.427   1.904
   95    HA   ASN 206           HA       ASN 206  -9.044 -10.287   5.821
   96    HA   LEU 207           HA       LEU 207  -7.114  -6.222   6.018
   97    HG   LEU 207           HG       LEU 207  -4.790  -6.092   5.271
   98    HA   ILE 208           HA       ILE 208 -10.659  -4.021   6.277
   99    HB   ILE 208           HB       ILE 208  -9.424  -1.984   6.669
  100    HA   GLN 209           HA       GLN 209 -12.906  -4.398   2.615
  Start of MODEL    7
    1    HA   GLU 143           HA       GLU 143   0.614 -15.916   1.591
    2    HA   LEU 144           HA       LEU 144   2.615 -12.169  -0.536
    3    HG   LEU 144           HG       LEU 144   0.034 -12.680  -2.460
    4    HA   TYR 145           HA       TYR 145   0.603  -9.051   2.577
    5    HH   TYR 145           HH       TYR 145  -2.349  -7.963   8.716
    6    HA   GLU 146           HA       GLU 146   1.303 -11.896   6.294
    7    HA   MET 147           HA       MET 147   5.746 -11.783   5.283
    8    HA   LEU 148           HA       LEU 148   5.235  -7.276   4.559
    9    HG   LEU 148           HG       LEU 148   3.236  -7.882   2.025
   10    HA   THR 149           HA       THR 149   3.875  -7.389   8.808
   11    HB   THR 149           HB       THR 149   5.717  -8.327  10.236
   12    HA   GLU 150           HA       GLU 150   6.769  -3.887   9.201
   13    HA   ARG 151           HA       ARG 151   4.971  -0.043   7.699
   14    HA   GLU 152           HA       GLU 152   5.216  -1.238   2.945
   15    HA   MET 153           HA       MET 153   1.653  -4.314   4.394
   16    HA   GLU 154           HA       GLU 154  -0.131  -0.633   6.903
   17    HA   ILE 155           HA       ILE 155   0.517   2.001   3.058
   18    HB   ILE 155           HB       ILE 155   2.862   0.452   1.944
   19    HA   LEU 156           HA       LEU 156  -0.946  -1.534   0.478
   20    HG   LEU 156           HG       LEU 156  -2.345  -4.269   1.321
   21    HA   LEU 157           HA       LEU 157  -4.277  -2.212   3.774
   22    HG   LEU 157           HG       LEU 157  -5.041  -0.346   6.227
   23    HA   LEU 158           HA       LEU 158  -4.484   2.555   3.653
   24    HG   LEU 158           HG       LEU 158  -1.729   2.283   5.032
   25    HA   ILE 159           HA       ILE 159  -3.980   1.734  -1.189
   26    HB   ILE 159           HB       ILE 159  -3.119  -1.023  -0.336
   27    HA   ALA 160           HA       ALA 160  -7.304  -1.686  -0.384
   28    HA   LYS 161           HA       LYS 161  -9.419   1.436   2.768
   29    HA   TYR 163           HA       TYR 163  -7.280   6.292   0.200
   30    HH   TYR 163           HH       TYR 163  -3.303   3.599  -5.691
   31    HA   SER 164           HA       SER 164  -7.289   8.812  -3.367
   32    HG   SER 164           HG       SER 164  -9.700   8.589  -3.067
   33    HA   ASN 165           HA       ASN 165  -4.181  11.653  -4.301
   34    HA   GLN 166           HA       GLN 166  -1.394  10.903  -0.899
   35    HA   GLU 167           HA       GLU 167  -4.161   9.944   3.073
   36    HA   ILE 168           HA       ILE 168  -1.368   6.109   3.022
   37    HB   ILE 168           HB       ILE 168   0.015   6.746   0.401
   38    HA   ALA 169           HA       ALA 169   2.468   8.932   2.683
   39    HA   SER 170           HA       SER 170   0.849  11.870   5.884
   40    HG   SER 170           HG       SER 170   0.090  13.132   4.268
   41    HA   ALA 171           HA       ALA 171  -1.450   8.505   8.266
   42    HA   SER 172           HA       SER 172   2.521   6.015   7.993
   43    HG   SER 172           HG       SER 172   2.285   4.518   6.375
   44    HA   HIS 173           HA       HIS 173   2.874  11.182   7.706
   45    HA   ILE 174           HA       ILE 174   6.796  10.875   5.761
   46    HB   ILE 174           HB       ILE 174   7.497   9.176   4.121
   47    HA   THR 175           HA       THR 175   6.167  13.484   2.527
   48    HB   THR 175           HB       THR 175   8.518  12.205   1.162
   49    HA   ILE 176           HA       ILE 176   3.638  11.436  -0.364
   50    HB   ILE 176           HB       ILE 176   2.837  12.885  -2.227
   51    HA   LYS 177           HA       LYS 177   6.228  11.276  -4.227
   52    HA   THR 178           HA       THR 178   9.380   8.626  -2.220
   53    HB   THR 178           HB       THR 178  10.168   9.995  -0.203
   54    HA   VAL 179           HA       VAL 179   5.747   6.428  -0.066
   55    HB   VAL 179           HB       VAL 179   3.786   8.341  -1.372
   56    HA   LYS 180           HA       LYS 180   4.269   5.906  -4.600
   57    HA   THR 181           HA       THR 181   8.731   4.485  -5.669
   58    HB   THR 181           HB       THR 181   9.926   5.446  -3.051
   59    HA   HIS 182           HA       HIS 182   8.561   1.969  -1.670
   60    HA   VAL 183           HA       VAL 183   4.098   0.951  -2.065
   61    HB   VAL 183           HB       VAL 183   2.774   2.988  -1.997
   62    HA   SER 184           HA       SER 184   4.858   0.315  -6.693
   63    HG   SER 184           HG       SER 184   7.895   0.787  -8.321
   64    HA   ASN 185           HA       ASN 185   8.654  -1.959  -4.816
   65    HA   ILE 186           HA       ILE 186   5.753  -3.788  -1.614
   66    HB   ILE 186           HB       ILE 186   3.517  -3.443  -0.773
   67    HA   LEU 187           HA       LEU 187   2.669  -4.316  -5.227
   68    HG   LEU 187           HG       LEU 187   2.710  -1.103  -5.395
   69    HA   SER 188           HA       SER 188   6.479  -5.897  -7.512
   70    HG   SER 188           HG       SER 188   7.137  -3.828  -8.035
   71    HA   LYS 189           HA       LYS 189   7.724  -8.123  -3.412
   72    HA   LEU 190           HA       LEU 190   3.087  -9.352  -3.152
   73    HG   LEU 190           HG       LEU 190   3.108  -6.406  -2.056
   74    HA   GLU 191           HA       GLU 191   4.958  -8.545  -7.986
   75    HA   VAL 192           HA       VAL 192   0.698  -7.301  -8.922
   76    HB   VAL 192           HB       VAL 192   1.184  -5.637  -6.422
   77    HA   GLN 193           HA       GLN 193   2.712  -3.798 -10.637
   78    HA   ASP 194           HA       ASP 194  -0.950  -1.095 -11.256
   79    HA   ARG 195           HA       ARG 195  -1.936  -0.649  -7.118
   80    HA   THR 196           HA       THR 196  -6.720  -1.208  -7.538
   81    HB   THR 196           HB       THR 196  -6.650  -2.540 -10.257
   82    HA   GLN 197           HA       GLN 197  -5.734  -5.910  -8.224
   83    HA   ALA 198           HA       ALA 198  -2.866  -5.488  -4.520
   84    HA   VAL 199           HA       VAL 199  -6.288  -2.752  -2.470
   85    HB   VAL 199           HB       VAL 199  -7.662  -2.223  -5.126
   86    HA   ILE 200           HA       ILE 200  -9.518  -5.706  -4.152
   87    HB   ILE 200           HB       ILE 200  -9.251  -5.500  -6.581
   88    HA   TYR 201           HA       TYR 201  -6.631  -9.444  -3.328
   89    HH   TYR 201           HH       TYR 201  -2.047 -13.595  -1.240
   90    HA   ALA 202           HA       ALA 202  -5.380  -7.245   0.651
   91    HA   PHE 203           HA       PHE 203  -9.931  -5.792   1.398
   92    HZ   PHE 203           HZ       PHE 203 -15.819  -4.766   0.772
   93    HA   GLN 204           HA       GLN 204 -11.322 -10.023  -0.525
   94    HA   HIS 205           HA       HIS 205  -8.185 -12.103   2.010
   95    HA   ASN 206           HA       ASN 206  -9.085  -9.251   5.626
   96    HA   LEU 207           HA       LEU 207  -6.629  -5.462   5.777
   97    HG   LEU 207           HG       LEU 207  -4.341  -6.078   5.013
   98    HA   ILE 208           HA       ILE 208  -9.811  -2.711   4.474
   99    HB   ILE 208           HB       ILE 208 -10.706  -4.818   5.114
  100    HA   GLN 209           HA       GLN 209  -9.856  -0.262   8.251
  Start of MODEL    8
    1    HA   GLU 143           HA       GLU 143   1.266 -15.927   1.951
    2    HA   LEU 144           HA       LEU 144   2.989 -12.281  -0.615
    3    HG   LEU 144           HG       LEU 144   0.597 -13.251  -2.536
    4    HA   TYR 145           HA       TYR 145   0.863  -9.064   2.145
    5    HH   TYR 145           HH       TYR 145  -1.170  -6.923   8.128
    6    HA   GLU 146           HA       GLU 146   1.647 -11.737   5.985
    7    HA   MET 147           HA       MET 147   6.064 -11.786   4.604
    8    HA   LEU 148           HA       LEU 148   5.562  -7.164   4.058
    9    HG   LEU 148           HG       LEU 148   2.701  -7.867   2.027
   10    HA   THR 149           HA       THR 149   4.227  -6.948   8.374
   11    HB   THR 149           HB       THR 149   5.551  -9.027   8.086
   12    HA   GLU 150           HA       GLU 150   6.294  -3.208   9.571
   13    HA   ARG 151           HA       ARG 151   4.565   0.303   7.492
   14    HA   GLU 152           HA       GLU 152   4.622  -0.939   2.988
   15    HA   MET 153           HA       MET 153   1.509  -4.182   4.156
   16    HA   GLU 154           HA       GLU 154  -0.297  -0.970   7.121
   17    HA   ILE 155           HA       ILE 155   0.207   1.976   3.470
   18    HB   ILE 155           HB       ILE 155   2.611   0.635   2.235
   19    HA   LEU 156           HA       LEU 156  -1.177  -1.314   0.592
   20    HG   LEU 156           HG       LEU 156  -2.514  -4.126   1.185
   21    HA   LEU 157           HA       LEU 157  -4.501  -2.399   3.750
   22    HG   LEU 157           HG       LEU 157  -5.361  -0.834   6.423
   23    HA   LEU 158           HA       LEU 158  -4.817   2.327   4.177
   24    HG   LEU 158           HG       LEU 158  -2.289   2.259   5.601
   25    HA   ILE 159           HA       ILE 159  -4.533   2.200  -0.596
   26    HB   ILE 159           HB       ILE 159  -3.194  -0.493  -0.474
   27    HA   ALA 160           HA       ALA 160  -7.502  -1.539  -0.287
   28    HA   LYS 161           HA       LYS 161  -9.690   1.153   3.143
   29    HA   TYR 163           HA       TYR 163  -7.960   6.507   0.660
   30    HH   TYR 163           HH       TYR 163  -4.344   3.544  -5.292
   31    HA   SER 164           HA       SER 164  -7.362   8.645  -3.170
   32    HG   SER 164           HG       SER 164  -9.852  11.200  -3.452
   33    HA   ASN 165           HA       ASN 165  -4.485  11.814  -3.919
   34    HA   GLN 166           HA       GLN 166  -1.736  11.612  -0.405
   35    HA   GLU 167           HA       GLU 167  -4.359   9.948   3.491
   36    HA   ILE 168           HA       ILE 168  -1.461   6.096   2.832
   37    HB   ILE 168           HB       ILE 168  -0.231   7.205   0.304
   38    HA   ALA 169           HA       ALA 169   2.239   9.050   2.530
   39    HA   SER 170           HA       SER 170   0.667  11.883   5.985
   40    HG   SER 170           HG       SER 170  -0.551  13.427   4.962
   41    HA   ALA 171           HA       ALA 171  -0.821   8.255   8.509
   42    HA   SER 172           HA       SER 172   3.082   6.005   7.142
   43    HG   SER 172           HG       SER 172   1.771   6.045   4.299
   44    HA   HIS 173           HA       HIS 173   3.599  11.180   7.906
   45    HA   ILE 174           HA       ILE 174   7.124  11.211   5.228
   46    HB   ILE 174           HB       ILE 174   7.841   9.595   3.486
   47    HA   THR 175           HA       THR 175   5.554  13.545   2.035
   48    HB   THR 175           HB       THR 175   8.393  13.192   1.031
   49    HA   ILE 176           HA       ILE 176   3.909  10.981  -0.884
   50    HB   ILE 176           HB       ILE 176   2.819  11.851  -2.872
   51    HA   LYS 177           HA       LYS 177   6.719  10.878  -4.661
   52    HA   THR 178           HA       THR 178   9.661   8.521  -1.726
   53    HB   THR 178           HB       THR 178   8.160   9.487   0.733
   54    HA   VAL 179           HA       VAL 179   5.632   6.388  -0.310
   55    HB   VAL 179           HB       VAL 179   3.755   8.470  -1.497
   56    HA   LYS 180           HA       LYS 180   4.392   6.026  -4.917
   57    HA   THR 181           HA       THR 181   8.821   4.211  -5.419
   58    HB   THR 181           HB       THR 181   9.812   5.474  -2.847
   59    HA   HIS 182           HA       HIS 182   8.069   2.038  -1.263
   60    HA   VAL 183           HA       VAL 183   3.744   0.963  -2.367
   61    HB   VAL 183           HB       VAL 183   2.038   1.751  -3.933
   62    HA   SER 184           HA       SER 184   5.294   0.024  -6.728
   63    HG   SER 184           HG       SER 184   6.369   3.099  -6.874
   64    HA   ASN 185           HA       ASN 185   8.868  -2.017  -4.298
   65    HA   ILE 186           HA       ILE 186   5.673  -3.773  -1.382
   66    HB   ILE 186           HB       ILE 186   3.390  -3.406  -0.732
   67    HA   LEU 187           HA       LEU 187   2.997  -4.675  -5.206
   68    HG   LEU 187           HG       LEU 187   2.756  -1.488  -5.589
   69    HA   SER 188           HA       SER 188   7.110  -6.008  -7.154
   70    HG   SER 188           HG       SER 188   7.876  -3.088  -6.664
   71    HA   LYS 189           HA       LYS 189   8.063  -8.329  -3.272
   72    HA   LEU 190           HA       LEU 190   3.466  -9.446  -2.665
   73    HG   LEU 190           HG       LEU 190   3.163  -6.505  -1.721
   74    HA   GLU 191           HA       GLU 191   5.615  -9.096  -7.412
   75    HA   VAL 192           HA       VAL 192   1.539  -8.510  -9.044
   76    HB   VAL 192           HB       VAL 192   0.623  -8.482  -6.650
   77    HA   GLN 193           HA       GLN 193   2.554  -4.430 -10.145
   78    HA   ASP 194           HA       ASP 194  -1.004  -2.731 -11.595
   79    HA   ARG 195           HA       ARG 195  -1.358  -0.922  -7.632
   80    HA   THR 196           HA       THR 196  -6.077  -0.696  -7.520
   81    HB   THR 196           HB       THR 196  -6.639  -1.787 -10.291
   82    HA   GLN 197           HA       GLN 197  -6.203  -5.556  -8.178
   83    HA   ALA 198           HA       ALA 198  -3.099  -5.459  -4.609
   84    HA   VAL 199           HA       VAL 199  -6.274  -2.479  -2.428
   85    HB   VAL 199           HB       VAL 199  -7.826  -2.037  -5.017
   86    HA   ILE 200           HA       ILE 200  -9.593  -5.472  -3.773
   87    HB   ILE 200           HB       ILE 200  -9.844  -5.181  -6.091
   88    HA   TYR 201           HA       TYR 201  -6.565  -9.218  -3.492
   89    HH   TYR 201           HH       TYR 201  -1.525 -12.697  -0.817
   90    HA   ALA 202           HA       ALA 202  -5.186  -7.219   0.550
   91    HA   PHE 203           HA       PHE 203  -9.723  -5.763   1.453
   92    HZ   PHE 203           HZ       PHE 203 -15.707  -5.258   0.563
   93    HA   GLN 204           HA       GLN 204 -11.435  -9.871   0.063
   94    HA   HIS 205           HA       HIS 205  -7.703 -12.302   1.360
   95    HA   ASN 206           HA       ASN 206  -8.895 -10.027   5.246
   96    HA   LEU 207           HA       LEU 207  -6.664  -6.046   5.763
   97    HG   LEU 207           HG       LEU 207  -4.282  -6.247   5.057
   98    HA   ILE 208           HA       ILE 208  -9.663  -3.145   5.161
   99    HB   ILE 208           HB       ILE 208 -10.838  -5.001   4.220
  100    HA   GLN 209           HA       GLN 209 -10.464  -2.316   9.338
  Start of MODEL    9
    1    HA   GLU 143           HA       GLU 143   1.510 -15.999   1.985
    2    HA   LEU 144           HA       LEU 144   2.931 -12.464  -0.781
    3    HG   LEU 144           HG       LEU 144   0.083 -13.221  -2.237
    4    HA   TYR 145           HA       TYR 145   1.178  -9.136   2.255
    5    HH   TYR 145           HH       TYR 145  -1.621  -6.024   7.553
    6    HA   GLU 146           HA       GLU 146   3.079 -11.516   5.935
    7    HA   MET 147           HA       MET 147   7.079 -11.105   3.550
    8    HA   LEU 148           HA       LEU 148   5.937  -6.614   3.208
    9    HG   LEU 148           HG       LEU 148   3.343  -7.438   1.556
   10    HA   THR 149           HA       THR 149   6.207  -6.751   7.497
   11    HB   THR 149           HB       THR 149   8.423  -5.775   8.172
   12    HA   GLU 150           HA       GLU 150   5.069  -3.096   9.546
   13    HA   ARG 151           HA       ARG 151   3.916   0.642   7.741
   14    HA   GLU 152           HA       GLU 152   4.810  -1.016   3.333
   15    HA   MET 153           HA       MET 153   1.386  -4.153   4.467
   16    HA   GLU 154           HA       GLU 154  -0.639  -0.497   6.958
   17    HA   ILE 155           HA       ILE 155   0.131   2.116   3.191
   18    HB   ILE 155           HB       ILE 155   2.625   0.718   2.212
   19    HA   LEU 156           HA       LEU 156  -1.043  -1.403   0.361
   20    HG   LEU 156           HG       LEU 156  -2.493  -4.185   1.163
   21    HA   LEU 157           HA       LEU 157  -4.523  -2.294   3.575
   22    HG   LEU 157           HG       LEU 157  -5.401  -0.374   5.985
   23    HA   LEU 158           HA       LEU 158  -5.147   2.257   3.235
   24    HG   LEU 158           HG       LEU 158  -3.090   2.665   5.211
   25    HA   ILE 159           HA       ILE 159  -4.098   2.134  -1.417
   26    HB   ILE 159           HB       ILE 159  -3.057  -0.704  -1.169
   27    HA   ALA 160           HA       ALA 160  -7.238  -1.549  -1.109
   28    HA   LYS 161           HA       LYS 161  -9.989   1.724   1.058
   29    HA   TYR 163           HA       TYR 163  -7.544   6.269  -0.380
   30    HH   TYR 163           HH       TYR 163  -2.066   4.524  -5.518
   31    HA   SER 164           HA       SER 164  -7.233   9.532  -3.197
   32    HG   SER 164           HG       SER 164  -7.160  10.228   0.211
   33    HA   ASN 165           HA       ASN 165  -3.352  11.083  -2.083
   34    HA   GLN 166           HA       GLN 166  -2.808  12.995   1.568
   35    HA   GLU 167           HA       GLU 167  -3.933   9.715   4.660
   36    HA   ILE 168           HA       ILE 168  -1.097   6.248   3.453
   37    HB   ILE 168           HB       ILE 168  -0.430   7.007   0.588
   38    HA   ALA 169           HA       ALA 169   2.231   9.350   2.479
   39    HA   SER 170           HA       SER 170   0.969  12.139   6.183
   40    HG   SER 170           HG       SER 170  -0.450  13.128   4.644
   41    HA   ALA 171           HA       ALA 171  -0.444   8.513   8.837
   42    HA   SER 172           HA       SER 172   3.174   5.986   7.330
   43    HG   SER 172           HG       SER 172   5.419   6.223   5.716
   44    HA   HIS 173           HA       HIS 173   3.901  11.192   7.787
   45    HA   ILE 174           HA       ILE 174   7.455  10.978   5.121
   46    HB   ILE 174           HB       ILE 174   7.900   9.339   3.330
   47    HA   THR 175           HA       THR 175   6.410  13.578   1.840
   48    HB   THR 175           HB       THR 175   8.796  12.148   0.630
   49    HA   ILE 176           HA       ILE 176   3.975  11.086  -0.757
   50    HB   ILE 176           HB       ILE 176   2.842  12.220  -2.683
   51    HA   LYS 177           HA       LYS 177   7.043  11.092  -4.546
   52    HA   THR 178           HA       THR 178   9.462   8.234  -1.449
   53    HB   THR 178           HB       THR 178   7.958   9.261   0.974
   54    HA   VAL 179           HA       VAL 179   5.217   6.360  -0.210
   55    HB   VAL 179           HB       VAL 179   3.623   8.551  -1.602
   56    HA   LYS 180           HA       LYS 180   4.422   5.704  -4.761
   57    HA   THR 181           HA       THR 181   8.820   4.038  -5.146
   58    HB   THR 181           HB       THR 181   9.754   5.246  -2.542
   59    HA   HIS 182           HA       HIS 182   7.883   1.820  -1.062
   60    HA   VAL 183           HA       VAL 183   3.600   0.873  -2.351
   61    HB   VAL 183           HB       VAL 183   2.005   1.627  -4.024
   62    HA   SER 184           HA       SER 184   5.308  -0.141  -6.608
   63    HG   SER 184           HG       SER 184   5.564   1.705  -8.017
   64    HA   ASN 185           HA       ASN 185   8.869  -2.241  -4.253
   65    HA   ILE 186           HA       ILE 186   5.783  -4.120  -1.406
   66    HB   ILE 186           HB       ILE 186   3.492  -3.686  -0.665
   67    HA   LEU 187           HA       LEU 187   2.649  -4.657  -4.905
   68    HG   LEU 187           HG       LEU 187   2.705  -1.465  -4.933
   69    HA   SER 188           HA       SER 188   6.299  -6.032  -7.605
   70    HG   SER 188           HG       SER 188   7.425  -3.137  -7.009
   71    HA   LYS 189           HA       LYS 189   7.904  -8.310  -3.590
   72    HA   LEU 190           HA       LEU 190   3.295  -9.651  -2.850
   73    HG   LEU 190           HG       LEU 190   3.035  -6.553  -2.149
   74    HA   GLU 191           HA       GLU 191   4.697  -9.321  -7.954
   75    HA   VAL 192           HA       VAL 192   0.101  -9.115  -8.013
   76    HB   VAL 192           HB       VAL 192   0.408  -8.087  -5.704
   77    HA   GLN 193           HA       GLN 193   0.582  -6.478 -11.344
   78    HA   ASP 194           HA       ASP 194   1.482  -2.959  -9.244
   79    HA   ARG 195           HA       ARG 195  -1.752  -0.496  -7.658
   80    HA   THR 196           HA       THR 196  -6.242  -1.388  -8.056
   81    HB   THR 196           HB       THR 196  -6.418  -2.628 -10.813
   82    HA   GLN 197           HA       GLN 197  -5.948  -6.166  -8.326
   83    HA   ALA 198           HA       ALA 198  -3.141  -5.797  -4.592
   84    HA   VAL 199           HA       VAL 199  -6.298  -2.580  -2.819
   85    HB   VAL 199           HB       VAL 199  -7.679  -2.360  -5.521
   86    HA   ILE 200           HA       ILE 200  -9.613  -5.696  -4.102
   87    HB   ILE 200           HB       ILE 200  -9.588  -5.684  -6.486
   88    HA   TYR 201           HA       TYR 201  -6.593  -9.360  -3.169
   89    HH   TYR 201           HH       TYR 201  -1.512 -12.484  -0.098
   90    HA   ALA 202           HA       ALA 202  -5.538  -7.125   0.833
   91    HA   PHE 203           HA       PHE 203 -10.071  -5.633   1.266
   92    HZ   PHE 203           HZ       PHE 203 -15.934  -4.648   0.377
   93    HA   GLN 204           HA       GLN 204 -11.393  -9.974  -0.024
   94    HA   HIS 205           HA       HIS 205  -8.248 -11.512   2.792
   95    HA   ASN 206           HA       ASN 206  -9.127  -9.245   6.326
   96    HA   LEU 207           HA       LEU 207  -6.190  -5.671   6.068
   97    HG   LEU 207           HG       LEU 207  -3.914  -6.338   5.359
   98    HA   ILE 208           HA       ILE 208  -9.336  -3.095   4.760
   99    HB   ILE 208           HB       ILE 208 -10.644  -5.043   4.546
  100    HA   GLN 209           HA       GLN 209 -10.568   0.385   7.046
  Start of MODEL   10
    1    HA   GLU 143           HA       GLU 143   0.461 -15.962   1.512
    2    HA   LEU 144           HA       LEU 144   2.651 -12.334  -0.594
    3    HG   LEU 144           HG       LEU 144  -0.340 -12.494  -2.293
    4    HA   TYR 145           HA       TYR 145   0.788  -8.912   2.365
    5    HH   TYR 145           HH       TYR 145  -2.676  -6.344   7.760
    6    HA   GLU 146           HA       GLU 146   1.565 -11.470   6.262
    7    HA   MET 147           HA       MET 147   5.967 -11.939   5.033
    8    HA   LEU 148           HA       LEU 148   5.881  -7.331   4.160
    9    HG   LEU 148           HG       LEU 148   3.103  -7.884   2.203
   10    HA   THR 149           HA       THR 149   4.851  -7.127   8.534
   11    HB   THR 149           HB       THR 149   7.691  -8.249   8.599
   12    HA   GLU 150           HA       GLU 150   7.281  -3.647   9.641
   13    HA   ARG 151           HA       ARG 151   4.123  -0.847   8.125
   14    HA   GLU 152           HA       GLU 152   4.173  -0.811   3.456
   15    HA   MET 153           HA       MET 153   1.251  -4.328   4.352
   16    HA   GLU 154           HA       GLU 154  -0.760  -1.073   7.239
   17    HA   ILE 155           HA       ILE 155   0.026   1.848   3.635
   18    HB   ILE 155           HB       ILE 155   2.559   0.529   2.625
   19    HA   LEU 156           HA       LEU 156  -1.119  -1.559   0.704
   20    HG   LEU 156           HG       LEU 156  -2.442  -4.459   1.461
   21    HA   LEU 157           HA       LEU 157  -4.643  -2.458   3.857
   22    HG   LEU 157           HG       LEU 157  -4.915  -1.500   7.504
   23    HA   LEU 158           HA       LEU 158  -4.844   2.384   3.650
   24    HG   LEU 158           HG       LEU 158  -2.029   2.096   5.090
   25    HA   ILE 159           HA       ILE 159  -3.969   1.670  -1.179
   26    HB   ILE 159           HB       ILE 159  -3.196  -1.099  -0.270
   27    HA   ALA 160           HA       ALA 160  -7.413  -1.648  -0.647
   28    HA   LYS 161           HA       LYS 161  -9.539   1.127   2.811
   29    HA   TYR 163           HA       TYR 163  -7.084   6.285   0.916
   30    HH   TYR 163           HH       TYR 163  -3.345   3.656  -5.268
   31    HA   SER 164           HA       SER 164  -6.950   9.482  -2.067
   32    HG   SER 164           HG       SER 164  -7.424  12.561  -0.431
   33    HA   ASN 165           HA       ASN 165  -2.789   9.056  -3.051
   34    HA   GLN 166           HA       GLN 166  -0.544  11.675  -0.178
   35    HA   GLU 167           HA       GLU 167  -2.875  10.983   3.648
   36    HA   ILE 168           HA       ILE 168  -0.973   6.632   3.658
   37    HB   ILE 168           HB       ILE 168   0.172   6.996   0.873
   38    HA   ALA 169           HA       ALA 169   2.952   9.284   2.928
   39    HA   SER 170           HA       SER 170   1.011  12.249   6.235
   40    HG   SER 170           HG       SER 170  -1.065  12.462   4.038
   41    HA   ALA 171           HA       ALA 171  -0.466   8.390   8.672
   42    HA   SER 172           HA       SER 172   3.611   6.413   8.159
   43    HG   SER 172           HG       SER 172   2.837   4.965   6.585
   44    HA   HIS 173           HA       HIS 173   3.813  11.574   7.754
   45    HA   ILE 174           HA       ILE 174   7.506  11.266   5.306
   46    HB   ILE 174           HB       ILE 174   7.889   9.492   3.599
   47    HA   THR 175           HA       THR 175   6.347  13.783   2.012
   48    HB   THR 175           HB       THR 175   8.777  12.508   0.744
   49    HA   ILE 176           HA       ILE 176   3.768  11.280  -0.439
   50    HB   ILE 176           HB       ILE 176   2.523  12.484  -2.167
   51    HA   LYS 177           HA       LYS 177   6.455  11.763  -4.538
   52    HA   THR 178           HA       THR 178   9.187   8.580  -2.732
   53    HB   THR 178           HB       THR 178  10.313   9.829  -0.855
   54    HA   VAL 179           HA       VAL 179   5.710   6.437  -0.318
   55    HB   VAL 179           HB       VAL 179   3.695   8.481  -1.297
   56    HA   LYS 180           HA       LYS 180   3.804   6.048  -4.610
   57    HA   THR 181           HA       THR 181   8.225   4.709  -6.049
   58    HB   THR 181           HB       THR 181   9.529   5.877  -3.572
   59    HA   HIS 182           HA       HIS 182   8.361   2.263  -1.980
   60    HA   VAL 183           HA       VAL 183   3.960   0.991  -2.214
   61    HB   VAL 183           HB       VAL 183   1.943   1.698  -3.396
   62    HA   SER 184           HA       SER 184   4.621   0.178  -6.819
   63    HG   SER 184           HG       SER 184   5.707   1.281  -9.214
   64    HA   ASN 185           HA       ASN 185   8.723  -1.716  -5.112
   65    HA   ILE 186           HA       ILE 186   6.009  -3.401  -1.516
   66    HB   ILE 186           HB       ILE 186   3.748  -1.452  -2.057
   67    HA   LEU 187           HA       LEU 187   2.834  -4.477  -4.926
   68    HG   LEU 187           HG       LEU 187   2.688  -1.317  -5.349
   69    HA   SER 188           HA       SER 188   6.680  -5.995  -7.273
   70    HG   SER 188           HG       SER 188   7.462  -3.011  -7.210
   71    HA   LYS 189           HA       LYS 189   8.226  -7.611  -2.925
   72    HA   LEU 190           HA       LEU 190   3.760  -9.234  -2.281
   73    HG   LEU 190           HG       LEU 190   3.218  -6.304  -1.652
   74    HA   GLU 191           HA       GLU 191   5.116  -9.189  -7.417
   75    HA   VAL 192           HA       VAL 192   0.643  -9.292  -7.568
   76    HB   VAL 192           HB       VAL 192   0.917  -8.187  -5.311
   77    HA   GLN 193           HA       GLN 193   0.575  -6.951 -11.210
   78    HA   ASP 194           HA       ASP 194   1.263  -3.054  -9.491
   79    HA   ARG 195           HA       ARG 195  -1.742  -0.662  -7.451
   80    HA   THR 196           HA       THR 196  -6.168  -1.934  -8.582
   81    HB   THR 196           HB       THR 196  -5.545  -3.801 -10.869
   82    HA   GLN 197           HA       GLN 197  -5.491  -6.458  -7.975
   83    HA   ALA 198           HA       ALA 198  -2.789  -5.817  -4.186
   84    HA   VAL 199           HA       VAL 199  -6.182  -2.757  -2.756
   85    HB   VAL 199           HB       VAL 199  -7.181  -2.244  -5.590
   86    HA   ILE 200           HA       ILE 200  -9.502  -5.588  -4.322
   87    HB   ILE 200           HB       ILE 200  -9.792  -7.040  -6.279
   88    HA   TYR 201           HA       TYR 201  -6.875  -9.532  -3.387
   89    HH   TYR 201           HH       TYR 201  -2.483 -13.674  -0.961
   90    HA   ALA 202           HA       ALA 202  -5.833  -7.298   0.600
   91    HA   PHE 203           HA       PHE 203 -10.481  -5.973   0.962
   92    HZ   PHE 203           HZ       PHE 203 -12.205  -0.713  -1.135
   93    HA   GLN 204           HA       GLN 204 -11.548 -10.361  -0.584
   94    HA   HIS 205           HA       HIS 205  -8.151 -12.210   1.853
   95    HA   ASN 206           HA       ASN 206  -9.645  -9.454   5.334
   96    HA   LEU 207           HA       LEU 207  -7.128  -5.554   5.639
   97    HG   LEU 207           HG       LEU 207  -4.706  -6.152   5.143
   98    HA   ILE 208           HA       ILE 208  -9.306  -2.144   4.467
   99    HB   ILE 208           HB       ILE 208 -10.746  -3.496   3.229
  100    HA   GLN 209           HA       GLN 209 -11.577  -0.075   7.587