*HEADER    SIGNALING PROTEIN                       04-NOV-10   2L5S              
*TITLE     SOLUTION STRUCTURE OF THE EXTRACELLULAR DOMAIN OF THE TGF-BETA TYPE I 
*TITLE    2 RECEPTOR                                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TGF-BETA RECEPTOR TYPE-1;                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: TGFR-1, ACTIVIN RECEPTOR-LIKE KINASE 5, ALK-5,              
*COMPND   5 SERINE/THREONINE-PROTEIN KINASE RECEPTOR R4, SKR4;                   
*COMPND   6 EC: 2.7.11.30;                                                       
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: TGFBR1;                                                        
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET15B                                    
*KEYWDS    ALK5, TRANSFORMING GROWTH FACTOR BETA, TYPE I RECEPTOR, SIGNALING     
*KEYWDS   2 PROTEIN                                                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    J.E.ZUNIGA, U.ILANGOVAN, M.PARDEEP, C.HINCK, T.HUANG                  
*REVDAT   1   09-NOV-11 2L5S    1                                                
*REVDAT   1   26-OCT-11 2L5S    0                                                
! derived from the 3D file(s):
! /metis1/jzuniga/AriaCal/run11a_lar/data/cnoe_alfa/cnoe_alfa.xpk
 ASSI {   15}
   (( segid "tbr1" and resid 10   and name HN  ))
   (( segid "tbr1" and resid 10   and name HB1 ))
      2.900     1.000     1.000 peak    15 spectrum    1 weight  0.11000E+01 volume  0.72258E-02 ppm1      8.254 ppm2      1.248 CV     1
 OR {   15}
   (( segid "tbr1" and resid 10   and name HN  ))
   (  segid "tbr1" and resid 9    and name HB% )
 ASSI {   51}
   (( segid "tbr1" and resid 13   and name HN  ))
   (( segid "tbr1" and resid 13   and name HB2 ))
      3.000     1.200     1.200 peak    51 spectrum    1 weight  0.11000E+01 volume  0.27910E-02 ppm1      9.485 ppm2      2.989 CV     1
 OR {   51}
   (( segid "tbr1" and resid 13   and name HN  ))
   (( segid "tbr1" and resid 12   and name HB2 ))
 ASSI {   81}
   (( segid "tbr1" and resid 79   and name HN  ))
   (( segid "tbr1" and resid 77   and name HB2 ))
      2.800     1.000     1.000 peak    81 spectrum    1 weight  0.11000E+01 volume  0.24135E-02 ppm1      7.324 ppm2      3.489 CV     1
 OR {   81}
   (( segid "tbr1" and resid 79   and name HN  ))
   (( segid "tbr1" and resid 82   and name HB1 ))
 ASSI {   86}
   (( segid "tbr1" and resid 20   and name HN  ))
   (( segid "tbr1" and resid 20   and name HB2 ))
      2.600     0.900     0.900 peak    86 spectrum    1 weight  0.11000E+01 volume  0.24049E-02 ppm1      6.949 ppm2      3.039 CV     1
 OR {   86}
   (( segid "tbr1" and resid 20   and name HN  ))
   (( segid "tbr1" and resid 17   and name HB1 ))
 ASSI {   88}
   (( segid "tbr1" and resid 58   and name HN  ))
   (( segid "tbr1" and resid 58   and name HA  ))
      2.400     0.700     0.700 peak    88 spectrum    1 weight  0.11000E+01 volume  0.56199E-02 ppm1      6.922 ppm2      4.358 CV     1
 OR {   88}
   (( segid "tbr1" and resid 58   and name HN  ))
   (( segid "tbr1" and resid 57   and name HA  ))
 ASSI {  136}
   (( segid "tbr1" and resid 23   and name HN  ))
   (( segid "tbr1" and resid 22   and name HA  ))
      2.500     0.800     0.800 peak   136 spectrum    1 weight  0.10000E+01 volume  0.62506E-02 ppm1      7.213 ppm2      4.115 CV     1
 OR {  136}
   (( segid "tbr1" and resid 23   and name HN  ))
   (( segid "tbr1" and resid 23   and name HB  ))
 ASSI {  157}
   (( segid "tbr1" and resid 27   and name HN  ))
   (( segid "tbr1" and resid 26   and name HA  ))
      2.300     0.700     0.700 peak   157 spectrum    1 weight  0.11000E+01 volume  0.57419E-02 ppm1      8.096 ppm2      4.843 CV     1
 OR {  157}
   (( segid "tbr1" and resid 27   and name HN  ))
   (( segid "tbr1" and resid 27   and name HA  ))
 ASSI {  168}
   (( segid "tbr1" and resid 37   and name HN  ))
   (( segid "tbr1" and resid 36   and name HA  ))
      2.300     0.700     0.700 peak   168 spectrum    1 weight  0.11000E+01 volume  0.61753E-02 ppm1      8.386 ppm2      4.803 CV     1
 OR {  168}
   (( segid "tbr1" and resid 47   and name HN  ))
   (( segid "tbr1" and resid 46   and name HA  ))
 ASSI {  196}
   (( segid "tbr1" and resid 17   and name HN  ))
   (( segid "tbr1" and resid 16   and name HN  ))
      2.500     0.800     0.800 peak   196 spectrum    1 weight  0.10000E+01 volume  0.53341E-02 ppm1      7.730 ppm2      7.981 CV     1
 OR {  196}
   (( segid "tbr1" and resid 17   and name HN  ))
   (( segid "tbr1" and resid 18   and name HN  ))
 ASSI {  207}
   (( segid "tbr1" and resid 20   and name HN  ))
   (( segid "tbr1" and resid 20   and name HA  ))
      2.900     1.000     1.000 peak   207 spectrum    1 weight  0.10000E+01 volume  0.26795E-02 ppm1      6.949 ppm2      4.962 CV     1
 OR {  207}
   (( segid "tbr1" and resid 20   and name HN  ))
   (( segid "tbr1" and resid 17   and name HA  ))
 ASSI {  253}
   (( segid "tbr1" and resid 14   and name HN  ))
   (( segid "tbr1" and resid 15   and name HD2 ))
      4.000     2.000     2.000 peak   253 spectrum    1 weight  0.11000E+01 volume  0.39670E-03 ppm1      7.813 ppm2      7.176 CV     1
 OR {  253}
   (( segid "tbr1" and resid 14   and name HN  ))
   (( segid "tbr1" and resid 81   and name HD2 ))
 ASSI {  262}
   (( segid "tbr1" and resid 15   and name HN  ))
   (( segid "tbr1" and resid 15   and name HB2 ))
      3.300     1.400     1.400 peak   262 spectrum    1 weight  0.11000E+01 volume  0.89057E-03 ppm1      8.393 ppm2      3.332 CV     1
 OR {  262}
   (( segid "tbr1" and resid 15   and name HN  ))
   (( segid "tbr1" and resid 14   and name HB2 ))
 ASSI {  267}
   (( segid "tbr1" and resid 17   and name HN  ))
   (( segid "tbr1" and resid 23   and name HN  ))
      3.900     1.900     1.900 peak   267 spectrum    1 weight  0.11000E+01 volume  0.12956E-02 ppm1      7.730 ppm2      7.215 CV     1
 OR {  267}
   (( segid "tbr1" and resid 17   and name HN  ))
   (  segid "tbr1" and resid 22   and name HD% )
 ASSI {  269}
   (( segid "tbr1" and resid 17   and name HN  ))
   (( segid "tbr1" and resid 22   and name HA  ))
      3.700     1.700     1.700 peak   269 spectrum    1 weight  0.11000E+01 volume  0.13416E-02 ppm1      7.729 ppm2      4.111 CV     1
 OR {  269}
   (( segid "tbr1" and resid 17   and name HN  ))
   (( segid "tbr1" and resid 18   and name HB  ))
 OR {  269}
   (( segid "tbr1" and resid 17   and name HN  ))
   (( segid "tbr1" and resid 23   and name HB  ))
 ASSI {  288}
   (( segid "tbr1" and resid 20   and name HN  ))
   (( segid "tbr1" and resid 22   and name HA  ))
      3.800     1.800     1.800 peak   288 spectrum    1 weight  0.11000E+01 volume  0.93282E-03 ppm1      6.947 ppm2      4.106 CV     1
 OR {  288}
   (( segid "tbr1" and resid 20   and name HN  ))
   (( segid "tbr1" and resid 18   and name HB  ))
 OR {  288}
   (( segid "tbr1" and resid 20   and name HN  ))
   (( segid "tbr1" and resid 21   and name HA  ))
 ASSI {  354}
   (( segid "tbr1" and resid 26   and name HN  ))
   (( segid "tbr1" and resid 10   and name HN  ))
      3.000     1.100     1.100 peak   354 spectrum    1 weight  0.11000E+01 volume  0.19171E-02 ppm1      9.260 ppm2      8.254 CV     1
 OR {  354}
   (( segid "tbr1" and resid 26   and name HN  ))
   (( segid "tbr1" and resid 11   and name HN  ))
 ASSI {  388}
   (( segid "tbr1" and resid 29   and name HN  ))
   (( segid "tbr1" and resid 47   and name HA  ))
      4.300     2.300     1.700 peak   388 spectrum    1 weight  0.10000E+01 volume  0.41773E-03 ppm1      8.793 ppm2      4.954 CV     1
 OR {  388}
   (( segid "tbr1" and resid 29   and name HN  ))
   (( segid "tbr1" and resid 77   and name HA  ))
 ASSI {  395}
   (( segid "tbr1" and resid 29   and name HN  ))
   (( segid "tbr1" and resid 48   and name HG11))
      4.700     2.700     1.300 peak   395 spectrum    1 weight  0.10000E+01 volume  0.37993E-03 ppm1      8.794 ppm2      1.204 CV     1
 OR {  395}
   (( segid "tbr1" and resid 29   and name HN  ))
   (( segid "tbr1" and resid 51   and name HG12))
 ASSI {  400}
   (( segid "tbr1" and resid 30   and name HN  ))
   (( segid "tbr1" and resid 76   and name HA  ))
      4.500     2.500     1.500 peak   400 spectrum    1 weight  0.11000E+01 volume  0.36789E-03 ppm1      8.352 ppm2      5.577 CV     1
 OR {  400}
   (( segid "tbr1" and resid 30   and name HN  ))
   (( segid "tbr1" and resid 31   and name HA  ))
 ASSI {  410}
   (( segid "tbr1" and resid 31   and name HN  ))
   (  segid "tbr1" and resid 29   and name HD1%)
      4.300     2.300     1.700 peak   410 spectrum    1 weight  0.10000E+01 volume  0.41167E-03 ppm1      8.749 ppm2      0.854 CV     1
 OR {  410}
   (( segid "tbr1" and resid 31   and name HN  ))
   (  segid "tbr1" and resid 26   and name HG2%)
 OR {  410}
   (( segid "tbr1" and resid 31   and name HN  ))
   (  segid "tbr1" and resid 48   and name HG2%)
 ASSI {  417}
   (( segid "tbr1" and resid 31   and name HN  ))
   (( segid "tbr1" and resid 46   and name HN  ))
      3.400     1.400     1.400 peak   417 spectrum    1 weight  0.11000E+01 volume  0.92045E-03 ppm1      8.747 ppm2      9.076 CV     1
 OR {  417}
   (( segid "tbr1" and resid 31   and name HN  ))
   (( segid "tbr1" and resid 77   and name HN  ))
 ASSI {  428}
   (( segid "tbr1" and resid 32   and name HN  ))
   (( segid "tbr1" and resid 31   and name HN  ))
      4.000     2.000     2.000 peak   428 spectrum    1 weight  0.11000E+01 volume  0.68895E-03 ppm1      8.581 ppm2      8.770 CV     1
 OR {  428}
   (( segid "tbr1" and resid 32   and name HN  ))
   (( segid "tbr1" and resid 33   and name HN  ))
 ASSI {  464}
   (( segid "tbr1" and resid 35   and name HN  ))
   (( segid "tbr1" and resid 34   and name HN  ))
      3.900     1.900     1.900 peak   464 spectrum    1 weight  0.11000E+01 volume  0.77993E-03 ppm1      8.928 ppm2      8.695 CV     1
 OR {  464}
   (( segid "tbr1" and resid 35   and name HN  ))
   (( segid "tbr1" and resid 44   and name HN  ))
 OR {  464}
   (( segid "tbr1" and resid 35   and name HN  ))
   (( segid "tbr1" and resid 73   and name HN  ))
 ASSI {  474}
   (( segid "tbr1" and resid 36   and name HN  ))
   (( segid "tbr1" and resid 36   and name HG1 ))
      2.900     1.100     1.100 peak   474 spectrum    1 weight  0.11000E+01 volume  0.16791E-02 ppm1      8.995 ppm2      2.172 CV     1
 OR {  474}
   (( segid "tbr1" and resid 36   and name HN  ))
   (( segid "tbr1" and resid 71   and name HB  ))
 ASSI {  478}
   (( segid "tbr1" and resid 39   and name HN  ))
   (( segid "tbr1" and resid 37   and name HB  ))
      3.600     1.600     1.600 peak   478 spectrum    1 weight  0.11000E+01 volume  0.67011E-03 ppm1      8.228 ppm2      4.577 CV     1
 OR {  478}
   (( segid "tbr1" and resid 39   and name HN  ))
   (( segid "tbr1" and resid 40   and name HA  ))
 ASSI {  499}
   (( segid "tbr1" and resid 40   and name HN  ))
   (( segid "tbr1" and resid 37   and name HN  ))
      3.100     1.200     1.200 peak   499 spectrum    1 weight  0.11000E+01 volume  0.18102E-02 ppm1      7.607 ppm2      8.386 CV     1
 OR {  499}
   (( segid "tbr1" and resid 40   and name HN  ))
   (( segid "tbr1" and resid 38   and name HN  ))
 ASSI {  508}
   (( segid "tbr1" and resid 42   and name HN  ))
   (  segid "tbr1" and resid 37   and name HG2%)
      4.200     2.200     1.800 peak   508 spectrum    1 weight  0.11000E+01 volume  0.45406E-03 ppm1      8.945 ppm2      1.190 CV     1
 OR {  508}
   (( segid "tbr1" and resid 42   and name HN  ))
   (( segid "tbr1" and resid 40   and name HG1 ))
 ASSI {  548}
   (( segid "tbr1" and resid 47   and name HN  ))
   (( segid "tbr1" and resid 14   and name HB2 ))
      3.900     1.900     1.900 peak   548 spectrum    1 weight  0.11000E+01 volume  0.45459E-03 ppm1      8.386 ppm2      3.385 CV     1
 OR {  548}
   (( segid "tbr1" and resid 47   and name HN  ))
   (( segid "tbr1" and resid 24   and name HB1 ))
 ASSI {  566}
   (( segid "tbr1" and resid 48   and name HN  ))
   (( segid "tbr1" and resid 28   and name HA2 ))
      4.300     2.300     1.700 peak   566 spectrum    1 weight  0.10000E+01 volume  0.42305E-03 ppm1      8.791 ppm2      4.155 CV     1
 OR {  566}
   (( segid "tbr1" and resid 48   and name HN  ))
   (( segid "tbr1" and resid 28   and name HA1 ))
 OR {  566}
   (( segid "tbr1" and resid 48   and name HN  ))
   (( segid "tbr1" and resid 53   and name HA  ))
 ASSI {  572}
   (( segid "tbr1" and resid 48   and name HN  ))
   (( segid "tbr1" and resid 10   and name HG  ))
      3.400     3.400     2.600 peak   572 spectrum    1 weight  0.10000E+01 volume  0.37129E-03 ppm1      8.785 ppm2      0.756 CV     1
 OR {  572}
   (( segid "tbr1" and resid 48   and name HN  ))
   (  segid "tbr1" and resid 32   and name HG2%)
 ASSI {  634}
   (( segid "tbr1" and resid 53   and name HN  ))
   (( segid "tbr1" and resid 56   and name HD1 ))
      4.600     2.700     1.400 peak   634 spectrum    1 weight  0.10000E+01 volume  0.37857E-03 ppm1      7.531 ppm2      3.277 CV     1
 OR {  634}
   (( segid "tbr1" and resid 53   and name HN  ))
   (( segid "tbr1" and resid 56   and name HD2 ))
 OR {  634}
   (( segid "tbr1" and resid 53   and name HN  ))
   (( segid "tbr1" and resid 59   and name HD2 ))
 ASSI {  637}
   (( segid "tbr1" and resid 53   and name HN  ))
   (  segid "tbr1" and resid 49   and name HB% )
      3.700     1.700     1.700 peak   637 spectrum    1 weight  0.10000E+01 volume  0.53780E-03 ppm1      7.531 ppm2      1.514 CV     1
 OR {  637}
   (( segid "tbr1" and resid 53   and name HN  ))
   (( segid "tbr1" and resid 29   and name HG  ))
 ASSI {  646}
   (( segid "tbr1" and resid 54   and name HN  ))
   (( segid "tbr1" and resid 60   and name HB2 ))
      5.100     3.300     0.900 peak   646 spectrum    1 weight  0.10000E+01 volume  0.39121E-03 ppm1      7.655 ppm2      3.238 CV     1
 OR {  646}
   (( segid "tbr1" and resid 54   and name HN  ))
   (( segid "tbr1" and resid 62   and name HB1 ))
 ASSI {  656}
   (( segid "tbr1" and resid 56   and name HN  ))
   (( segid "tbr1" and resid 54   and name HA  ))
      3.700     1.700     1.700 peak   656 spectrum    1 weight  0.11000E+01 volume  0.14634E-02 ppm1      8.566 ppm2      4.367 CV     1
 OR {  656}
   (( segid "tbr1" and resid 56   and name HN  ))
   (( segid "tbr1" and resid 57   and name HA  ))
 ASSI {  664}
   (( segid "tbr1" and resid 56   and name HN  ))
   (( segid "tbr1" and resid 56   and name HB2 ))
      3.900     1.900     1.900 peak   664 spectrum    1 weight  0.11000E+01 volume  0.25490E-03 ppm1      8.566 ppm2      1.858 CV     1
 OR {  664}
   (( segid "tbr1" and resid 56   and name HN  ))
   (( segid "tbr1" and resid 55   and name HG2 ))
 ASSI {  665}
   (( segid "tbr1" and resid 57   and name HN  ))
   (( segid "tbr1" and resid 56   and name HG1 ))
      4.300     2.300     1.700 peak   665 spectrum    1 weight  0.11000E+01 volume  0.76337E-03 ppm1      8.436 ppm2      1.619 CV     1
 OR {  665}
   (( segid "tbr1" and resid 57   and name HN  ))
   (( segid "tbr1" and resid 55   and name HG1 ))
 ASSI {  684}
   (( segid "tbr1" and resid 58   and name HN  ))
   (( segid "tbr1" and resid 56   and name HB2 ))
      3.700     1.700     1.700 peak   684 spectrum    1 weight  0.11000E+01 volume  0.96130E-03 ppm1      6.923 ppm2      1.833 CV     1
 OR {  684}
   (( segid "tbr1" and resid 58   and name HN  ))
   (( segid "tbr1" and resid 59   and name HG1 ))
 ASSI {  705}
   (( segid "tbr1" and resid 61   and name HN  ))
   (( segid "tbr1" and resid 60   and name HB2 ))
      3.700     1.700     1.700 peak   705 spectrum    1 weight  0.11000E+01 volume  0.12864E-02 ppm1      8.366 ppm2      3.232 CV     1
 OR {  705}
   (( segid "tbr1" and resid 61   and name HN  ))
   (( segid "tbr1" and resid 62   and name HB1 ))
 ASSI {  709}
   (( segid "tbr1" and resid 61   and name HN  ))
   (  segid "tbr1" and resid 74   and name HG2%)
      4.100     2.100     1.900 peak   709 spectrum    1 weight  0.10000E+01 volume  0.42145E-03 ppm1      8.369 ppm2      1.049 CV     1
 OR {  709}
   (( segid "tbr1" and resid 61   and name HN  ))
   (( segid "tbr1" and resid 53   and name HB1 ))
 ASSI {  726}
   (( segid "tbr1" and resid 63   and name HN  ))
   (( segid "tbr1" and resid 59   and name HB1 ))
      3.400     1.400     1.400 peak   726 spectrum    1 weight  0.10000E+01 volume  0.41984E-03 ppm1      7.573 ppm2      1.631 CV     1
 OR {  726}
   (( segid "tbr1" and resid 63   and name HN  ))
   (( segid "tbr1" and resid 55   and name HG1 ))
 ASSI {  764}
   (( segid "tbr1" and resid 73   and name HN  ))
   (( segid "tbr1" and resid 73   and name HB  ))
      3.300     1.400     1.400 peak   764 spectrum    1 weight  0.11000E+01 volume  0.19433E-02 ppm1      8.725 ppm2      3.975 CV     1
 OR {  764}
   (( segid "tbr1" and resid 73   and name HN  ))
   (( segid "tbr1" and resid 72   and name HB  ))
 ASSI {  766}
   (( segid "tbr1" and resid 73   and name HN  ))
   (  segid "tbr1" and resid 73   and name HG2%)
      3.100     1.200     1.200 peak   766 spectrum    1 weight  0.11000E+01 volume  0.17878E-02 ppm1      8.726 ppm2      1.129 CV     1
 OR {  766}
   (( segid "tbr1" and resid 73   and name HN  ))
   (  segid "tbr1" and resid 72   and name HG2%)
 ASSI {  770}
   (( segid "tbr1" and resid 74   and name HN  ))
   (  segid "tbr1" and resid 72   and name HG2%)
      3.600     1.600     1.600 peak   770 spectrum    1 weight  0.11000E+01 volume  0.14190E-02 ppm1      8.205 ppm2      1.129 CV     1
 OR {  770}
   (( segid "tbr1" and resid 74   and name HN  ))
   (  segid "tbr1" and resid 73   and name HG2%)
 ASSI {  771}
   (( segid "tbr1" and resid 74   and name HN  ))
   (  segid "tbr1" and resid 34   and name HG2%)
      3.500     1.500     1.500 peak   771 spectrum    1 weight  0.10000E+01 volume  0.34634E-03 ppm1      8.199 ppm2      0.697 CV     1
 OR {  771}
   (( segid "tbr1" and resid 74   and name HN  ))
   (  segid "tbr1" and resid 87   and name HD1%)
 ASSI {  775}
   (( segid "tbr1" and resid 74   and name HN  ))
   (( segid "tbr1" and resid 62   and name HA  ))
      4.600     2.600     1.400 peak   775 spectrum    1 weight  0.10000E+01 volume  0.44040E-03 ppm1      8.200 ppm2      4.596 CV     1
 OR {  775}
   (( segid "tbr1" and resid 74   and name HN  ))
   (( segid "tbr1" and resid 63   and name HA  ))
 ASSI {  780}
   (( segid "tbr1" and resid 74   and name HN  ))
   (( segid "tbr1" and resid 76   and name HN  ))
      4.000     2.000     2.000 peak   780 spectrum    1 weight  0.10000E+01 volume  0.41178E-03 ppm1      8.206 ppm2      8.310 CV     1
 OR {  780}
   (( segid "tbr1" and resid 74   and name HN  ))
   (( segid "tbr1" and resid 87   and name HN  ))
 ASSI {  786}
   (( segid "tbr1" and resid 75   and name HN  ))
   (( segid "tbr1" and resid 31   and name HA  ))
      4.400     2.400     1.600 peak   786 spectrum    1 weight  0.11000E+01 volume  0.34842E-03 ppm1      8.578 ppm2      5.586 CV     1
 OR {  786}
   (( segid "tbr1" and resid 75   and name HN  ))
   (( segid "tbr1" and resid 76   and name HA  ))
 ASSI {  795}
   (( segid "tbr1" and resid 75   and name HN  ))
   (  segid "tbr1" and resid 32   and name HG1%)
      3.700     1.700     1.700 peak   795 spectrum    1 weight  0.10000E+01 volume  0.26850E-03 ppm1      8.569 ppm2      0.929 CV     1
 OR {  795}
   (( segid "tbr1" and resid 75   and name HN  ))
   (( segid "tbr1" and resid 85   and name HG11))
 ASSI {  832}
   (( segid "tbr1" and resid 80   and name HN  ))
   (( segid "tbr1" and resid 82   and name HB1 ))
      4.300     2.300     1.700 peak   832 spectrum    1 weight  0.10000E+01 volume  0.44042E-03 ppm1      8.451 ppm2      3.491 CV     1
 OR {  832}
   (( segid "tbr1" and resid 80   and name HN  ))
   (( segid "tbr1" and resid 77   and name HB2 ))
 ASSI {  855}
   (( segid "tbr1" and resid 82   and name HN  ))
   (( segid "tbr1" and resid 30   and name HB2 ))
      3.800     1.800     1.800 peak   855 spectrum    1 weight  0.11000E+01 volume  0.45798E-03 ppm1      8.235 ppm2      3.019 CV     1
 OR {  855}
   (( segid "tbr1" and resid 82   and name HN  ))
   (( segid "tbr1" and resid 12   and name HB2 ))
 ASSI {  862}
   (( segid "tbr1" and resid 82   and name HN  ))
   (( segid "tbr1" and resid 10   and name HG  ))
      3.400     3.400     2.600 peak   862 spectrum    1 weight  0.10000E+01 volume  0.47514E-03 ppm1      8.232 ppm2      0.734 CV     1
 OR {  862}
   (( segid "tbr1" and resid 82   and name HN  ))
   (( segid "tbr1" and resid 84   and name HG1 ))
 ASSI {  880}
   (( segid "tbr1" and resid 87   and name HN  ))
   (( segid "tbr1" and resid 85   and name HG12))
      3.800     1.800     1.800 peak   880 spectrum    1 weight  0.10000E+01 volume  0.32927E-03 ppm1      8.352 ppm2      1.139 CV     1
 OR {  880}
   (( segid "tbr1" and resid 87   and name HN  ))
   (  segid "tbr1" and resid 90   and name HG2%)
 OR {  880}
   (( segid "tbr1" and resid 87   and name HN  ))
   (  segid "tbr1" and resid 73   and name HG2%)
 ASSI {   19}
   (( segid "tbr1" and resid 18   and name HA  ))
   (( segid "tbr1" and resid 18   and name HB  ))
      2.500     0.800     0.800 peak    19 spectrum    1 weight  0.11000E+01 volume  0.51031E-02 ppm1      2.933 ppm2      4.097 CV     1
 OR {   19}
   (( segid "tbr1" and resid 18   and name HA  ))
   (( segid "tbr1" and resid 22   and name HA  ))
 ASSI {   27}
   (( segid "tbr1" and resid 22   and name HA  ))
   (( segid "tbr1" and resid 17   and name HB1 ))
      3.200     1.200     1.200 peak    27 spectrum    1 weight  0.11000E+01 volume  0.14207E-02 ppm1      4.091 ppm2      3.018 CV     1
 OR {   27}
   (( segid "tbr1" and resid 22   and name HA  ))
   (( segid "tbr1" and resid 20   and name HB2 ))
 ASSI {   29}
   (( segid "tbr1" and resid 22   and name HA  ))
   (( segid "tbr1" and resid 23   and name HB  ))
      3.500     1.500     1.500 peak    29 spectrum    1 weight  0.11000E+01 volume  0.17776E-02 ppm1      4.087 ppm2      4.091 CV     1
 OR {   29}
   (( segid "tbr1" and resid 22   and name HA  ))
   (( segid "tbr1" and resid 21   and name HA  ))
 ASSI {   37}
   (( segid "tbr1" and resid 23   and name HB  ))
   (( segid "tbr1" and resid 21   and name HD22))
      4.100     2.200     1.900 peak    37 spectrum    1 weight  0.10000E+01 volume  0.69447E-03 ppm1      4.099 ppm2      7.615 CV     1
 OR {   37}
   (( segid "tbr1" and resid 23   and name HB  ))
   (( segid "tbr1" and resid 22   and name HN  ))
 ASSI {   41}
   (( segid "tbr1" and resid 23   and name HB  ))
   (( segid "tbr1" and resid 22   and name HB1 ))
      3.800     1.800     1.800 peak    41 spectrum    1 weight  0.11000E+01 volume  0.56373E-03 ppm1      4.106 ppm2      3.102 CV     1
 OR {   41}
   (( segid "tbr1" and resid 23   and name HB  ))
   (( segid "tbr1" and resid 21   and name HB1 ))
 ASSI {   55}
   (( segid "tbr1" and resid 26   and name HA  ))
   (  segid "tbr1" and resid 9    and name HB% )
      3.000     3.000     3.000 peak    55 spectrum    1 weight  0.11000E+01 volume  0.14785E-02 ppm1      4.840 ppm2      1.168 CV     1
 OR {   55}
   (( segid "tbr1" and resid 26   and name HA  ))
   (( segid "tbr1" and resid 48   and name HG11))
 ASSI {   71}
   (( segid "tbr1" and resid 32   and name HA  ))
   (( segid "tbr1" and resid 31   and name HB2 ))
      4.000     2.000     2.000 peak    71 spectrum    1 weight  0.10000E+01 volume  0.61007E-03 ppm1      5.361 ppm2      2.934 CV     1
 OR {   71}
   (( segid "tbr1" and resid 32   and name HA  ))
   (( segid "tbr1" and resid 30   and name HB1 ))
 ASSI {   98}
   (( segid "tbr1" and resid 35   and name HA  ))
   (  segid "tbr1" and resid 34   and name HG2%)
      3.800     1.800     1.800 peak    98 spectrum    1 weight  0.11000E+01 volume  0.10440E-02 ppm1      5.056 ppm2      0.694 CV     1
 OR {   98}
   (( segid "tbr1" and resid 35   and name HA  ))
   (  segid "tbr1" and resid 41   and name HG1%)
 ASSI {  107}
   (( segid "tbr1" and resid 35   and name HB  ))
   (  segid "tbr1" and resid 34   and name HG1%)
      4.000     2.000     2.000 peak   107 spectrum    1 weight  0.11000E+01 volume  0.90319E-03 ppm1      3.886 ppm2      0.684 CV     1
 OR {  107}
   (( segid "tbr1" and resid 35   and name HB  ))
   (  segid "tbr1" and resid 34   and name HG2%)
 OR {  107}
   (( segid "tbr1" and resid 35   and name HB  ))
   (  segid "tbr1" and resid 41   and name HG1%)
 ASSI {  134}
   (( segid "tbr1" and resid 74   and name HA  ))
   (  segid "tbr1" and resid 61   and name HG2%)
      2.900     2.900     3.100 peak   134 spectrum    1 weight  0.10000E+01 volume  0.10248E-02 ppm1      4.659 ppm2      0.909 CV     1
 OR {  134}
   (( segid "tbr1" and resid 74   and name HA  ))
   (  segid "tbr1" and resid 71   and name HG1%)
 OR {  134}
   (( segid "tbr1" and resid 74   and name HA  ))
   (( segid "tbr1" and resid 85   and name HG11))
 ASSI {  140}
   (( segid "tbr1" and resid 74   and name HB  ))
   (  segid "tbr1" and resid 61   and name HG2%)
      2.900     2.900     3.100 peak   140 spectrum    1 weight  0.10000E+01 volume  0.97082E-03 ppm1      3.751 ppm2      0.917 CV     1
 OR {  140}
   (( segid "tbr1" and resid 74   and name HB  ))
   (  segid "tbr1" and resid 71   and name HG1%)
 ASSI {  144}
   (( segid "tbr1" and resid 56   and name HA  ))
   (( segid "tbr1" and resid 56   and name HD1 ))
      3.100     1.200     1.200 peak   144 spectrum    1 weight  0.10000E+01 volume  0.26497E-02 ppm1      3.811 ppm2      3.276 CV     1
 OR {  144}
   (( segid "tbr1" and resid 56   and name HA  ))
   (( segid "tbr1" and resid 56   and name HD2 ))
 OR {  144}
   (( segid "tbr1" and resid 56   and name HA  ))
   (( segid "tbr1" and resid 59   and name HD2 ))
 ASSI {  145}
   (( segid "tbr1" and resid 81   and name HA  ))
   (( segid "tbr1" and resid 12   and name HA  ))
      3.400     1.400     1.400 peak   145 spectrum    1 weight  0.11000E+01 volume  0.10889E-02 ppm1      3.747 ppm2      4.868 CV     1
 OR {  145}
   (( segid "tbr1" and resid 81   and name HA  ))
   (( segid "tbr1" and resid 80   and name HA  ))
 ASSI {  204}
   (( segid "tbr1" and resid 59   and name HA  ))
   (( segid "tbr1" and resid 54   and name HA  ))
      3.400     1.400     1.400 peak   204 spectrum    1 weight  0.10000E+01 volume  0.12749E-02 ppm1      4.259 ppm2      4.365 CV     1
 OR {  204}
   (( segid "tbr1" and resid 59   and name HA  ))
   (( segid "tbr1" and resid 60   and name HA  ))
 OR {  204}
   (( segid "tbr1" and resid 59   and name HA  ))
   (( segid "tbr1" and resid 58   and name HA  ))
 ASSI {  213}
   (( segid "tbr1" and resid 59   and name HA  ))
   (  segid "tbr1" and resid 61   and name HG1%)
      4.000     2.000     2.000 peak   213 spectrum    1 weight  0.10000E+01 volume  0.62991E-03 ppm1      4.262 ppm2      0.867 CV     1
 OR {  213}
   (( segid "tbr1" and resid 59   and name HA  ))
   (  segid "tbr1" and resid 54   and name HG2%)
 OR {  213}
   (( segid "tbr1" and resid 59   and name HA  ))
   (  segid "tbr1" and resid 48   and name HG2%)
 OR {  213}
   (( segid "tbr1" and resid 59   and name HA  ))
   (  segid "tbr1" and resid 29   and name HD1%)
 ASSI {  231}
   (( segid "tbr1" and resid 71   and name HA  ))
   (( segid "tbr1" and resid 66   and name HB2 ))
      3.800     3.800     2.200 peak   231 spectrum    1 weight  0.10000E+01 volume  0.82491E-03 ppm1      4.338 ppm2      3.876 CV     1
 OR {  231}
   (( segid "tbr1" and resid 71   and name HA  ))
   (( segid "tbr1" and resid 35   and name HB  ))
 ASSI {  238}
   (( segid "tbr1" and resid 72   and name HA  ))
   (( segid "tbr1" and resid 72   and name HB  ))
      2.900     1.000     1.000 peak   238 spectrum    1 weight  0.11000E+01 volume  0.22324E-02 ppm1      5.152 ppm2      3.946 CV     1
 OR {  238}
   (( segid "tbr1" and resid 72   and name HA  ))
   (( segid "tbr1" and resid 73   and name HB  ))
 ASSI {  239}
   (( segid "tbr1" and resid 72   and name HA  ))
   (  segid "tbr1" and resid 72   and name HG2%)
      2.700     0.900     0.900 peak   239 spectrum    1 weight  0.11000E+01 volume  0.35135E-02 ppm1      5.149 ppm2      1.119 CV     1
 OR {  239}
   (( segid "tbr1" and resid 72   and name HA  ))
   (  segid "tbr1" and resid 73   and name HG2%)
 ASSI {  254}
   (( segid "tbr1" and resid 37   and name HA  ))
   (( segid "tbr1" and resid 41   and name HA  ))
      3.600     3.600     2.400 peak   254 spectrum    1 weight  0.10000E+01 volume  0.20571E-02 ppm1      4.882 ppm2      4.679 CV     1
 OR {  254}
   (( segid "tbr1" and resid 37   and name HA  ))
   (( segid "tbr1" and resid 39   and name HA  ))
 ASSI {  262}
   (( segid "tbr1" and resid 42   and name HA  ))
   (( segid "tbr1" and resid 43   and name HB1 ))
      4.200     2.200     1.800 peak   262 spectrum    1 weight  0.11000E+01 volume  0.52282E-03 ppm1      4.325 ppm2      2.911 CV     1
 OR {  262}
   (( segid "tbr1" and resid 42   and name HA  ))
   (( segid "tbr1" and resid 43   and name HB2 ))
 OR {  262}
   (( segid "tbr1" and resid 42   and name HA  ))
   (( segid "tbr1" and resid 40   and name HE1 ))
 ASSI {  270}
   (( segid "tbr1" and resid 45   and name HB1 ))
   (( segid "tbr1" and resid 13   and name HB2 ))
      3.200     1.300     1.300 peak   270 spectrum    1 weight  0.10000E+01 volume  0.85770E-03 ppm1      3.994 ppm2      2.996 CV     1
 OR {  270}
   (( segid "tbr1" and resid 45   and name HB1 ))
   (( segid "tbr1" and resid 44   and name HB2 ))
 OR {  270}
   (( segid "tbr1" and resid 45   and name HB1 ))
   (( segid "tbr1" and resid 12   and name HB2 ))
 ASSI {   17}
   (( segid "tbr1" and resid 57   and name HA  ))
   (( segid "tbr1" and resid 56   and name HB1 ))
      3.400     1.400     1.400 peak    17 spectrum    1 weight  0.10000E+01 volume  0.94398E-03 ppm1      4.354 ppm2      1.789 CV     1
 OR {   17}
   (( segid "tbr1" and resid 10   and name HA  ))
   (( segid "tbr1" and resid 25   and name HB  ))
 OR {   17}
   (( segid "tbr1" and resid 10   and name HA  ))
   (( segid "tbr1" and resid 79   and name HB1 ))
 OR {   17}
   (( segid "tbr1" and resid 57   and name HA  ))
   (( segid "tbr1" and resid 59   and name HG1 ))
 ASSI {   19}
   (( segid "tbr1" and resid 11   and name HA  ))
   (( segid "tbr1" and resid 10   and name HB1 ))
      3.200     1.200     1.200 peak    19 spectrum    1 weight  0.11000E+01 volume  0.21019E-02 ppm1      5.051 ppm2      1.274 CV     1
 OR {   19}
   (( segid "tbr1" and resid 11   and name HA  ))
   (  segid "tbr1" and resid 23   and name HG2%)
 ASSI {   27}
   (( segid "tbr1" and resid 12   and name HA  ))
   (( segid "tbr1" and resid 12   and name HB2 ))
      2.900     1.100     1.100 peak    27 spectrum    1 weight  0.11000E+01 volume  0.26338E-02 ppm1      4.866 ppm2      3.013 CV     1
 OR {   27}
   (( segid "tbr1" and resid 12   and name HA  ))
   (( segid "tbr1" and resid 13   and name HB2 ))
 ASSI {   35}
   (( segid "tbr1" and resid 14   and name HB2 ))
   (( segid "tbr1" and resid 17   and name HB1 ))
      3.700     1.700     1.700 peak    35 spectrum    1 weight  0.11000E+01 volume  0.11247E-02 ppm1      3.376 ppm2      3.015 CV     1
 OR {   35}
   (( segid "tbr1" and resid 14   and name HB2 ))
   (( segid "tbr1" and resid 12   and name HB2 ))
 ASSI {   37}
   (( segid "tbr1" and resid 14   and name HB2 ))
   (( segid "tbr1" and resid 23   and name HB  ))
      4.400     2.400     1.600 peak    37 spectrum    1 weight  0.10000E+01 volume  0.59079E-03 ppm1      3.393 ppm2      4.119 CV     1
 OR {   37}
   (( segid "tbr1" and resid 14   and name HB2 ))
   (( segid "tbr1" and resid 45   and name HB2 ))
 ASSI {   45}
   (( segid "tbr1" and resid 19   and name HA  ))
   (  segid "tbr1" and resid 18   and name HG2%)
      3.100     3.100     2.900 peak    45 spectrum    1 weight  0.10000E+01 volume  0.95286E-03 ppm1      4.210 ppm2      1.297 CV     1
 OR {   45}
   (( segid "tbr1" and resid 19   and name HA  ))
   (  segid "tbr1" and resid 23   and name HG2%)
 ASSI {   46}
   (( segid "tbr1" and resid 19   and name HA  ))
   (( segid "tbr1" and resid 19   and name HE1 ))
      3.300     1.400     1.400 peak    46 spectrum    1 weight  0.11000E+01 volume  0.11967E-02 ppm1      4.209 ppm2      2.943 CV     1
 OR {   46}
   (( segid "tbr1" and resid 19   and name HA  ))
   (( segid "tbr1" and resid 19   and name HE2 ))
 OR {   46}
   (( segid "tbr1" and resid 19   and name HA  ))
   (( segid "tbr1" and resid 18   and name HA  ))
 ASSI {   52}
   (( segid "tbr1" and resid 20   and name HB1 ))
   (( segid "tbr1" and resid 21   and name HB1 ))
      3.300     3.300     2.700 peak    52 spectrum    1 weight  0.11000E+01 volume  0.10827E-02 ppm1      2.197 ppm2      3.142 CV     1
 OR {   52}
   (( segid "tbr1" and resid 20   and name HB1 ))
   (( segid "tbr1" and resid 22   and name HB1 ))
 ASSI {   64}
   (( segid "tbr1" and resid 21   and name HA  ))
   (  segid "tbr1" and resid 22   and name HD% )
      3.300     1.300     1.300 peak    64 spectrum    1 weight  0.11000E+01 volume  0.11592E-02 ppm1      4.093 ppm2      7.214 CV     1
 OR {   64}
   (( segid "tbr1" and resid 21   and name HA  ))
   (( segid "tbr1" and resid 23   and name HN  ))
 ASSI {   88}
   (( segid "tbr1" and resid 10   and name HB2 ))
   (( segid "tbr1" and resid 10   and name HA  ))
      3.400     1.400     1.400 peak    88 spectrum    1 weight  0.11000E+01 volume  0.10352E-02 ppm1      1.555 ppm2      4.369 CV     1
 OR {   88}
   (( segid "tbr1" and resid 10   and name HB2 ))
   (( segid "tbr1" and resid 9    and name HA  ))
 ASSI {  111}
   (( segid "tbr1" and resid 27   and name HA  ))
   (  segid "tbr1" and resid 26   and name HG2%)
      3.500     1.500     1.500 peak   111 spectrum    1 weight  0.10000E+01 volume  0.10767E-02 ppm1      4.801 ppm2      0.862 CV     1
 OR {  111}
   (( segid "tbr1" and resid 27   and name HA  ))
   (  segid "tbr1" and resid 8    and name HG2%)
 OR {  111}
   (( segid "tbr1" and resid 27   and name HA  ))
   (  segid "tbr1" and resid 48   and name HG2%)
 ASSI {  128}
   (( segid "tbr1" and resid 29   and name HA  ))
   (  segid "tbr1" and resid 29   and name HD1%)
      2.900     1.100     1.100 peak   128 spectrum    1 weight  0.11000E+01 volume  0.59572E-02 ppm1      4.670 ppm2      0.839 CV     1
 OR {  128}
   (( segid "tbr1" and resid 29   and name HA  ))
   (  segid "tbr1" and resid 48   and name HG2%)
 ASSI {  137}
   (( segid "tbr1" and resid 30   and name HA  ))
   (  segid "tbr1" and resid 26   and name HG2%)
      3.300     1.400     1.400 peak   137 spectrum    1 weight  0.10000E+01 volume  0.10829E-02 ppm1      5.359 ppm2      0.862 CV     1
 OR {  137}
   (( segid "tbr1" and resid 30   and name HA  ))
   (  segid "tbr1" and resid 29   and name HD1%)
 OR {  137}
   (( segid "tbr1" and resid 30   and name HA  ))
   (  segid "tbr1" and resid 48   and name HG2%)
 ASSI {  145}
   (( segid "tbr1" and resid 31   and name HB2 ))
   (  segid "tbr1" and resid 29   and name HD1%)
      3.200     1.300     1.300 peak   145 spectrum    1 weight  0.10000E+01 volume  0.12760E-02 ppm1      2.910 ppm2      0.854 CV     1
 OR {  145}
   (( segid "tbr1" and resid 31   and name HB2 ))
   (  segid "tbr1" and resid 48   and name HG2%)
 OR {  145}
   (( segid "tbr1" and resid 31   and name HB2 ))
   (  segid "tbr1" and resid 61   and name HG1%)
 ASSI {  146}
   (( segid "tbr1" and resid 34   and name HB  ))
   (( segid "tbr1" and resid 33   and name HA  ))
      4.300     2.300     1.700 peak   146 spectrum    1 weight  0.11000E+01 volume  0.94366E-03 ppm1      1.895 ppm2      5.292 CV     1
 OR {  146}
   (( segid "tbr1" and resid 34   and name HB  ))
   (( segid "tbr1" and resid 43   and name HA  ))
 ASSI {  156}
   (( segid "tbr1" and resid 36   and name HA  ))
   (  segid "tbr1" and resid 35   and name HG2%)
      3.500     1.500     1.500 peak   156 spectrum    1 weight  0.11000E+01 volume  0.12650E-02 ppm1      4.781 ppm2      1.060 CV     1
 OR {  156}
   (( segid "tbr1" and resid 36   and name HA  ))
   (( segid "tbr1" and resid 42   and name HG12))
 ASSI {  172}
   (( segid "tbr1" and resid 76   and name HA  ))
   (( segid "tbr1" and resid 75   and name HB2 ))
      3.000     3.000     3.000 peak   172 spectrum    1 weight  0.11000E+01 volume  0.10331E-02 ppm1      5.596 ppm2      2.825 CV     1
 OR {  172}
   (( segid "tbr1" and resid 76   and name HA  ))
   (( segid "tbr1" and resid 31   and name HB1 ))
 OR {  172}
   (( segid "tbr1" and resid 76   and name HA  ))
   (( segid "tbr1" and resid 75   and name HB1 ))
 ASSI {  173}
   (( segid "tbr1" and resid 76   and name HA  ))
   (( segid "tbr1" and resid 31   and name HB2 ))
      3.600     1.600     1.600 peak   173 spectrum    1 weight  0.11000E+01 volume  0.82433E-03 ppm1      5.592 ppm2      2.928 CV     1
 OR {  173}
   (( segid "tbr1" and resid 76   and name HA  ))
   (( segid "tbr1" and resid 30   and name HB1 ))
 ASSI {  177}
   (( segid "tbr1" and resid 76   and name HB1 ))
   (( segid "tbr1" and resid 48   and name HG12))
      2.700     2.700     3.300 peak   177 spectrum    1 weight  0.10000E+01 volume  0.14420E-02 ppm1      3.050 ppm2      0.973 CV     1
 OR {  177}
   (( segid "tbr1" and resid 76   and name HB1 ))
   (  segid "tbr1" and resid 32   and name HG1%)
 ASSI {  186}
   (( segid "tbr1" and resid 45   and name HA  ))
   (( segid "tbr1" and resid 32   and name HB  ))
      3.900     1.900     1.900 peak   186 spectrum    1 weight  0.11000E+01 volume  0.12206E-02 ppm1      5.725 ppm2      2.311 CV     1
 OR {  186}
   (( segid "tbr1" and resid 45   and name HA  ))
   (( segid "tbr1" and resid 46   and name HB1 ))
 ASSI {  194}
   (( segid "tbr1" and resid 42   and name HB  ))
   (( segid "tbr1" and resid 42   and name HG12))
      2.900     1.000     1.000 peak   194 spectrum    1 weight  0.11000E+01 volume  0.23124E-02 ppm1      1.685 ppm2      1.054 CV     1
 OR {  194}
   (( segid "tbr1" and resid 42   and name HB  ))
   (  segid "tbr1" and resid 35   and name HG2%)
 ASSI {  236}
   (( segid "tbr1" and resid 52   and name HA  ))
   (( segid "tbr1" and resid 51   and name HG12))
      4.300     2.300     1.700 peak   236 spectrum    1 weight  0.10000E+01 volume  0.10332E-02 ppm1      4.810 ppm2      1.175 CV     1
 OR {  236}
   (( segid "tbr1" and resid 52   and name HA  ))
   (( segid "tbr1" and resid 48   and name HG11))
 ASSI {  245}
   (( segid "tbr1" and resid 52   and name HB2 ))
   (  segid "tbr1" and resid 48   and name HG2%)
      2.900     1.100     1.100 peak   245 spectrum    1 weight  0.10000E+01 volume  0.19621E-02 ppm1      2.784 ppm2      0.861 CV     1
 OR {  245}
   (( segid "tbr1" and resid 52   and name HB2 ))
   (  segid "tbr1" and resid 51   and name HD1%)
 ASSI {  246}
   (( segid "tbr1" and resid 52   and name HB2 ))
   (( segid "tbr1" and resid 48   and name HG12))
      3.800     1.800     1.800 peak   246 spectrum    1 weight  0.10000E+01 volume  0.12763E-02 ppm1      2.788 ppm2      0.972 CV     1
 OR {  246}
   (( segid "tbr1" and resid 52   and name HB2 ))
   (( segid "tbr1" and resid 54   and name HG11))
 ASSI {  308}
   (( segid "tbr1" and resid 59   and name HD2 ))
   (  segid "tbr1" and resid 29   and name HD1%)
      2.900     2.900     3.100 peak   308 spectrum    1 weight  0.10000E+01 volume  0.93282E-03 ppm1      3.289 ppm2      0.847 CV     1
 OR {  308}
   (( segid "tbr1" and resid 59   and name HD2 ))
   (  segid "tbr1" and resid 48   and name HG2%)
 OR {  308}
   (( segid "tbr1" and resid 59   and name HD2 ))
   (  segid "tbr1" and resid 61   and name HG1%)
 ASSI {  320}
   (( segid "tbr1" and resid 62   and name HA  ))
   (  segid "tbr1" and resid 87   and name HD1%)
      3.100     3.100     2.900 peak   320 spectrum    1 weight  0.10000E+01 volume  0.11044E-02 ppm1      4.599 ppm2      0.718 CV     1
 OR {  320}
   (( segid "tbr1" and resid 62   and name HA  ))
   (  segid "tbr1" and resid 34   and name HG2%)
 ASSI {  341}
   (( segid "tbr1" and resid 75   and name HA  ))
   (  segid "tbr1" and resid 32   and name HG2%)
      3.100     1.200     1.200 peak   341 spectrum    1 weight  0.10000E+01 volume  0.20325E-02 ppm1      4.858 ppm2      0.786 CV     1
 OR {  341}
   (( segid "tbr1" and resid 75   and name HA  ))
   (  segid "tbr1" and resid 87   and name HD2%)
 ASSI {  345}
   (( segid "tbr1" and resid 83   and name HB2 ))
   (( segid "tbr1" and resid 30   and name HA  ))
      2.800     2.800     3.200 peak   345 spectrum    1 weight  0.10000E+01 volume  0.11517E-02 ppm1      2.846 ppm2      5.373 CV     1
 OR {  345}
   (( segid "tbr1" and resid 83   and name HB2 ))
   (( segid "tbr1" and resid 32   and name HA  ))
 ASSI {  359}
   (( segid "tbr1" and resid 79   and name HA  ))
   (( segid "tbr1" and resid 78   and name HB1 ))
      3.400     1.500     1.500 peak   359 spectrum    1 weight  0.10000E+01 volume  0.16672E-02 ppm1      4.668 ppm2      2.488 CV     1
 OR {  359}
   (( segid "tbr1" and resid 79   and name HA  ))
   (( segid "tbr1" and resid 80   and name HB2 ))
 ASSI {    1}
   (  segid "tbr1" and resid 53   and name HD1%)
   (  segid "tbr1" and resid 48   and name HG2%)
      2.400     0.700     0.700 peak     1 spectrum    1 weight  0.10000E+01 volume  0.55521E-02 ppm1      0.601 ppm2      0.834 CV     1
 OR {    1}
   (  segid "tbr1" and resid 53   and name HD1%)
   (  segid "tbr1" and resid 29   and name HD1%)
 ASSI {   22}
   (( segid "tbr1" and resid 10   and name HG  ))
   (  segid "tbr1" and resid 26   and name HG2%)
      2.800     1.000     1.000 peak    22 spectrum    1 weight  0.10000E+01 volume  0.70380E-02 ppm1      0.737 ppm2      0.847 CV     1
 OR {   22}
   (( segid "tbr1" and resid 10   and name HG  ))
   (  segid "tbr1" and resid 29   and name HD1%)
 ASSI {   26}
   (( segid "tbr1" and resid 10   and name HG  ))
   (( segid "tbr1" and resid 30   and name HB2 ))
      3.300     1.400     1.400 peak    26 spectrum    1 weight  0.10000E+01 volume  0.12411E-02 ppm1      0.740 ppm2      3.049 CV     1
 OR {   26}
   (( segid "tbr1" and resid 10   and name HG  ))
   (( segid "tbr1" and resid 78   and name HB2 ))
 ASSI {   27}
   (( segid "tbr1" and resid 10   and name HG  ))
   (( segid "tbr1" and resid 78   and name HB1 ))
      3.800     1.800     1.800 peak    27 spectrum    1 weight  0.11000E+01 volume  0.74922E-03 ppm1      0.735 ppm2      2.494 CV     1
 OR {   27}
   (( segid "tbr1" and resid 10   and name HG  ))
   (( segid "tbr1" and resid 80   and name HB2 ))
 ASSI {   36}
   (  segid "tbr1" and resid 10   and name HD1%)
   (( segid "tbr1" and resid 80   and name HB2 ))
      3.700     3.700     2.300 peak    36 spectrum    1 weight  0.11000E+01 volume  0.90256E-03 ppm1      0.694 ppm2      2.493 CV     1
 OR {   36}
   (  segid "tbr1" and resid 10   and name HD1%)
   (( segid "tbr1" and resid 78   and name HB1 ))
 ASSI {   37}
   (  segid "tbr1" and resid 10   and name HD1%)
   (( segid "tbr1" and resid 80   and name HB1 ))
      3.700     3.700     2.300 peak    37 spectrum    1 weight  0.11000E+01 volume  0.90395E-03 ppm1      0.695 ppm2      2.369 CV     1
 OR {   37}
   (  segid "tbr1" and resid 10   and name HD1%)
   (( segid "tbr1" and resid 79   and name HG2 ))
 ASSI {   38}
   (  segid "tbr1" and resid 10   and name HD1%)
   (( segid "tbr1" and resid 78   and name HB2 ))
      3.700     1.700     1.700 peak    38 spectrum    1 weight  0.11000E+01 volume  0.83207E-03 ppm1      0.679 ppm2      3.056 CV     1
 OR {   38}
   (  segid "tbr1" and resid 10   and name HD1%)
   (( segid "tbr1" and resid 12   and name HB2 ))
 OR {   38}
   (  segid "tbr1" and resid 10   and name HD1%)
   (( segid "tbr1" and resid 12   and name HB1 ))
 ASSI {   42}
   (  segid "tbr1" and resid 10   and name HD1%)
   (( segid "tbr1" and resid 78   and name HA  ))
      3.500     1.500     1.500 peak    42 spectrum    1 weight  0.11000E+01 volume  0.11417E-02 ppm1      0.688 ppm2      5.009 CV     1
 OR {   42}
   (  segid "tbr1" and resid 10   and name HD1%)
   (( segid "tbr1" and resid 11   and name HA  ))
 ASSI {   47}
   (( segid "tbr1" and resid 11   and name HB1 ))
   (  segid "tbr1" and resid 23   and name HG2%)
      3.100     1.200     1.200 peak    47 spectrum    1 weight  0.11000E+01 volume  0.30776E-02 ppm1      1.444 ppm2      1.279 CV     1
 OR {   47}
   (( segid "tbr1" and resid 11   and name HB1 ))
   (( segid "tbr1" and resid 10   and name HB1 ))
 ASSI {   61}
   (( segid "tbr1" and resid 11   and name HB2 ))
   (  segid "tbr1" and resid 23   and name HG2%)
      3.400     1.500     1.500 peak    61 spectrum    1 weight  0.11000E+01 volume  0.27328E-02 ppm1      1.671 ppm2      1.289 CV     1
 OR {   61}
   (( segid "tbr1" and resid 11   and name HB2 ))
   (( segid "tbr1" and resid 10   and name HB1 ))
 ASSI {   98}
   (( segid "tbr1" and resid 36   and name HB1 ))
   (  segid "tbr1" and resid 41   and name HG2%)
      3.500     1.500     1.500 peak    98 spectrum    1 weight  0.11000E+01 volume  0.11158E-02 ppm1      2.062 ppm2      0.911 CV     1
 OR {   98}
   (( segid "tbr1" and resid 36   and name HB1 ))
   (  segid "tbr1" and resid 71   and name HG1%)
 ASSI {  102}
   (( segid "tbr1" and resid 36   and name HB1 ))
   (( segid "tbr1" and resid 38   and name HA  ))
      3.700     3.700     2.300 peak   102 spectrum    1 weight  0.10000E+01 volume  0.67849E-03 ppm1      2.055 ppm2      3.967 CV     1
 OR {  102}
   (( segid "tbr1" and resid 36   and name HB1 ))
   (( segid "tbr1" and resid 73   and name HB  ))
 OR {  102}
   (( segid "tbr1" and resid 36   and name HB1 ))
   (( segid "tbr1" and resid 72   and name HB  ))
 ASSI {  147}
   (( segid "tbr1" and resid 48   and name HG12))
   (( segid "tbr1" and resid 54   and name HG12))
      3.500     3.500     2.500 peak   147 spectrum    1 weight  0.10000E+01 volume  0.16331E-02 ppm1      0.960 ppm2      1.311 CV     1
 OR {  147}
   (( segid "tbr1" and resid 48   and name HG12))
   (  segid "tbr1" and resid 63   and name HB% )
 ASSI {  192}
   (  segid "tbr1" and resid 53   and name HD2%)
   (( segid "tbr1" and resid 53   and name HB2 ))
      2.800     1.000     1.000 peak   192 spectrum    1 weight  0.11000E+01 volume  0.29772E-02 ppm1      0.797 ppm2      2.180 CV     1
 OR {  192}
   (  segid "tbr1" and resid 53   and name HD2%)
   (( segid "tbr1" and resid 50   and name HG2 ))
 ASSI {  230}
   (( segid "tbr1" and resid 59   and name HB1 ))
   (  segid "tbr1" and resid 61   and name HG1%)
      3.100     1.200     1.200 peak   230 spectrum    1 weight  0.10000E+01 volume  0.20538E-02 ppm1      1.624 ppm2      0.849 CV     1
 OR {  230}
   (( segid "tbr1" and resid 59   and name HB1 ))
   (  segid "tbr1" and resid 48   and name HG2%)
 OR {  230}
   (( segid "tbr1" and resid 59   and name HB1 ))
   (  segid "tbr1" and resid 29   and name HD1%)
 OR {  230}
   (( segid "tbr1" and resid 59   and name HB1 ))
   (  segid "tbr1" and resid 54   and name HG2%)
 ASSI {  245}
   (( segid "tbr1" and resid 59   and name HB2 ))
   (( segid "tbr1" and resid 59   and name HD2 ))
      3.800     1.800     1.800 peak   245 spectrum    1 weight  0.11000E+01 volume  0.87578E-03 ppm1      1.968 ppm2      3.271 CV     1
 OR {  245}
   (( segid "tbr1" and resid 59   and name HB2 ))
   (( segid "tbr1" and resid 62   and name HB1 ))
 ASSI {  250}
   (( segid "tbr1" and resid 59   and name HB2 ))
   (( segid "tbr1" and resid 54   and name HA  ))
      4.100     2.100     1.900 peak   250 spectrum    1 weight  0.10000E+01 volume  0.89805E-03 ppm1      1.975 ppm2      4.367 CV     1
 OR {  250}
   (( segid "tbr1" and resid 59   and name HB2 ))
   (( segid "tbr1" and resid 58   and name HA  ))
 OR {  250}
   (( segid "tbr1" and resid 59   and name HB2 ))
   (( segid "tbr1" and resid 60   and name HA  ))
 ASSI {  252}
   (( segid "tbr1" and resid 59   and name HG1 ))
   (( segid "tbr1" and resid 48   and name HG12))
      3.100     3.100     2.900 peak   252 spectrum    1 weight  0.10000E+01 volume  0.66371E-03 ppm1      1.811 ppm2      0.962 CV     1
 OR {  252}
   (( segid "tbr1" and resid 59   and name HG1 ))
   (( segid "tbr1" and resid 54   and name HG11))
 ASSI {  253}
   (( segid "tbr1" and resid 59   and name HG1 ))
   (( segid "tbr1" and resid 29   and name HG  ))
      3.700     1.700     1.700 peak   253 spectrum    1 weight  0.10000E+01 volume  0.78043E-03 ppm1      1.811 ppm2      1.488 CV     1
 OR {  253}
   (( segid "tbr1" and resid 59   and name HG1 ))
   (( segid "tbr1" and resid 58   and name HG1 ))
 OR {  253}
   (( segid "tbr1" and resid 59   and name HG1 ))
   (( segid "tbr1" and resid 58   and name HG2 ))
 ASSI {  262}
   (( segid "tbr1" and resid 59   and name HG1 ))
   (( segid "tbr1" and resid 59   and name HA  ))
      3.800     3.800     2.200 peak   262 spectrum    1 weight  0.11000E+01 volume  0.93618E-03 ppm1      1.808 ppm2      4.272 CV     1
 OR {  262}
   (( segid "tbr1" and resid 55   and name HG2 ))
   (( segid "tbr1" and resid 59   and name HA  ))
 ASSI {  264}
   (( segid "tbr1" and resid 59   and name HG1 ))
   (  segid "tbr1" and resid 29   and name HD1%)
      2.800     1.000     1.000 peak   264 spectrum    1 weight  0.10000E+01 volume  0.17846E-02 ppm1      1.814 ppm2      0.834 CV     1
 OR {  264}
   (( segid "tbr1" and resid 59   and name HG1 ))
   (  segid "tbr1" and resid 48   and name HG2%)
 ASSI {  283}
   (( segid "tbr1" and resid 61   and name HB  ))
   (( segid "tbr1" and resid 54   and name HB  ))
      3.500     1.600     1.600 peak   283 spectrum    1 weight  0.10000E+01 volume  0.67544E-03 ppm1      2.124 ppm2      1.661 CV     1
 OR {  283}
   (( segid "tbr1" and resid 61   and name HB  ))
   (( segid "tbr1" and resid 48   and name HB  ))
 ASSI {  294}
   (  segid "tbr1" and resid 63   and name HB% )
   (( segid "tbr1" and resid 74   and name HB  ))
      2.600     2.600     3.400 peak   294 spectrum    1 weight  0.10000E+01 volume  0.55218E-02 ppm1      1.332 ppm2      3.764 CV     1
 OR {  294}
   (  segid "tbr1" and resid 63   and name HB% )
   (( segid "tbr1" and resid 55   and name HD1 ))
 ASSI {    2}
   (( segid "tbr1" and resid 9    and name HN  ))
   (  segid "tbr1" and resid 9    and name HB% )
      2.700     0.900     0.900 peak     2 spectrum    1 weight  0.11000E+01 volume  0.41795E-02 ppm1      8.138 ppm2      1.220 CV     1
 ASSI {    3}
   (( segid "tbr1" and resid 36   and name HN  ))
   (  segid "tbr1" and resid 35   and name HG2%)
      3.000     1.100     1.100 peak     3 spectrum    1 weight  0.11000E+01 volume  0.26494E-02 ppm1      8.995 ppm2      1.092 CV     1
 ASSI {    4}
   (( segid "tbr1" and resid 36   and name HN  ))
   (( segid "tbr1" and resid 36   and name HB2 ))
      2.600     0.900     0.900 peak     4 spectrum    1 weight  0.11000E+01 volume  0.28139E-02 ppm1      8.993 ppm2      1.942 CV     1
 ASSI {    5}
   (( segid "tbr1" and resid 42   and name HN  ))
   (  segid "tbr1" and resid 41   and name HG1%)
      3.100     1.200     1.200 peak     5 spectrum    1 weight  0.11000E+01 volume  0.25681E-02 ppm1      8.941 ppm2      0.713 CV     1
 ASSI {    6}
   (( segid "tbr1" and resid 42   and name HN  ))
   (( segid "tbr1" and resid 41   and name HA  ))
      2.200     0.600     0.600 peak     6 spectrum    1 weight  0.11000E+01 volume  0.67443E-02 ppm1      8.940 ppm2      4.680 CV     1
 ASSI {    7}
   (( segid "tbr1" and resid 42   and name HN  ))
   (( segid "tbr1" and resid 42   and name HB  ))
      2.600     0.800     0.800 peak     7 spectrum    1 weight  0.11000E+01 volume  0.30062E-02 ppm1      8.939 ppm2      1.691 CV     1
 ASSI {    9}
   (( segid "tbr1" and resid 87   and name HN  ))
   (( segid "tbr1" and resid 87   and name HA  ))
      2.900     1.100     1.100 peak     9 spectrum    1 weight  0.11000E+01 volume  0.20342E-02 ppm1      8.351 ppm2      4.497 CV     1
 ASSI {   10}
   (( segid "tbr1" and resid 87   and name HN  ))
   (( segid "tbr1" and resid 86   and name HA  ))
      2.200     0.600     0.600 peak    10 spectrum    1 weight  0.11000E+01 volume  0.11485E-01 ppm1      8.351 ppm2      4.244 CV     1
 ASSI {   11}
   (( segid "tbr1" and resid 87   and name HN  ))
   (( segid "tbr1" and resid 87   and name HB2 ))
      2.300     0.700     0.700 peak    11 spectrum    1 weight  0.11000E+01 volume  0.60500E-02 ppm1      8.352 ppm2      1.531 CV     1
 ASSI {   13}
   (( segid "tbr1" and resid 10   and name HN  ))
   (( segid "tbr1" and resid 9    and name HA  ))
      2.100     0.600     0.600 peak    13 spectrum    1 weight  0.11000E+01 volume  0.11347E-01 ppm1      8.254 ppm2      4.359 CV     1
 ASSI {   14}
   (( segid "tbr1" and resid 10   and name HN  ))
   (( segid "tbr1" and resid 10   and name HB2 ))
      2.200     0.600     0.600 peak    14 spectrum    1 weight  0.11000E+01 volume  0.50448E-02 ppm1      8.254 ppm2      1.559 CV     1
 ASSI {   16}
   (( segid "tbr1" and resid 63   and name HN  ))
   (  segid "tbr1" and resid 63   and name HB% )
      2.300     0.700     0.700 peak    16 spectrum    1 weight  0.11000E+01 volume  0.96263E-02 ppm1      7.576 ppm2      1.339 CV     1
 ASSI {   17}
   (( segid "tbr1" and resid 63   and name HN  ))
   (( segid "tbr1" and resid 63   and name HA  ))
      2.500     0.800     0.800 peak    17 spectrum    1 weight  0.11000E+01 volume  0.50507E-02 ppm1      7.576 ppm2      4.616 CV     1
 ASSI {   18}
   (( segid "tbr1" and resid 86   and name HN  ))
   (( segid "tbr1" and resid 86   and name HA  ))
      2.900     2.900     3.100 peak    18 spectrum    1 weight  0.11000E+01 volume  0.20542E-02 ppm1      8.300 ppm2      4.257 CV     1
 ASSI {   19}
   (( segid "tbr1" and resid 86   and name HN  ))
   (( segid "tbr1" and resid 85   and name HA  ))
      2.300     0.700     0.700 peak    19 spectrum    1 weight  0.11000E+01 volume  0.81996E-02 ppm1      8.302 ppm2      4.163 CV     1
 ASSI {   20}
   (( segid "tbr1" and resid 86   and name HN  ))
   (( segid "tbr1" and resid 86   and name HB1 ))
      2.700     0.900     0.900 peak    20 spectrum    1 weight  0.11000E+01 volume  0.28658E-02 ppm1      8.300 ppm2      1.736 CV     1
 ASSI {   21}
   (( segid "tbr1" and resid 29   and name HN  ))
   (( segid "tbr1" and resid 28   and name HA2 ))
      2.300     0.600     0.600 peak    21 spectrum    1 weight  0.11000E+01 volume  0.79198E-02 ppm1      8.796 ppm2      4.148 CV     1
 OR {   21}
   (( segid "tbr1" and resid 29   and name HN  ))
   (( segid "tbr1" and resid 28   and name HA1 ))
 ASSI {   22}
   (( segid "tbr1" and resid 29   and name HN  ))
   (( segid "tbr1" and resid 29   and name HB1 ))
      3.000     1.200     1.200 peak    22 spectrum    1 weight  0.11000E+01 volume  0.20419E-02 ppm1      8.796 ppm2      1.646 CV     1
 ASSI {   23}
   (( segid "tbr1" and resid 29   and name HN  ))
   (  segid "tbr1" and resid 48   and name HG2%)
      2.700     0.900     0.900 peak    23 spectrum    1 weight  0.11000E+01 volume  0.30356E-02 ppm1      8.796 ppm2      0.858 CV     1
 ASSI {   24}
   (( segid "tbr1" and resid 35   and name HN  ))
   (( segid "tbr1" and resid 35   and name HB  ))
      2.700     0.900     0.900 peak    24 spectrum    1 weight  0.11000E+01 volume  0.27905E-02 ppm1      8.929 ppm2      3.894 CV     1
 ASSI {   25}
   (( segid "tbr1" and resid 35   and name HN  ))
   (  segid "tbr1" and resid 34   and name HG2%)
      3.500     1.600     1.600 peak    25 spectrum    1 weight  0.11000E+01 volume  0.28059E-02 ppm1      8.929 ppm2      0.710 CV     1
 ASSI {   26}
   (( segid "tbr1" and resid 75   and name HN  ))
   (( segid "tbr1" and resid 74   and name HA  ))
      2.300     0.700     0.700 peak    26 spectrum    1 weight  0.11000E+01 volume  0.57738E-02 ppm1      8.574 ppm2      4.665 CV     1
 ASSI {   27}
   (( segid "tbr1" and resid 54   and name HN  ))
   (( segid "tbr1" and resid 53   and name HA  ))
      2.100     0.600     0.600 peak    27 spectrum    1 weight  0.11000E+01 volume  0.72651E-02 ppm1      7.660 ppm2      4.183 CV     1
 ASSI {   28}
   (( segid "tbr1" and resid 54   and name HN  ))
   (( segid "tbr1" and resid 54   and name HB  ))
      2.600     0.800     0.800 peak    28 spectrum    1 weight  0.11000E+01 volume  0.31441E-02 ppm1      7.658 ppm2      1.694 CV     1
 ASSI {   29}
   (( segid "tbr1" and resid 11   and name HN  ))
   (( segid "tbr1" and resid 11   and name HB1 ))
      2.800     1.000     1.000 peak    29 spectrum    1 weight  0.11000E+01 volume  0.26281E-02 ppm1      8.292 ppm2      1.464 CV     1
 ASSI {   30}
   (( segid "tbr1" and resid 11   and name HN  ))
   (( segid "tbr1" and resid 10   and name HA  ))
      2.100     0.600     0.600 peak    30 spectrum    1 weight  0.11000E+01 volume  0.96644E-02 ppm1      8.290 ppm2      4.383 CV     1
 ASSI {   31}
   (( segid "tbr1" and resid 11   and name HN  ))
   (( segid "tbr1" and resid 10   and name HB1 ))
      2.800     1.000     1.000 peak    31 spectrum    1 weight  0.11000E+01 volume  0.23068E-02 ppm1      8.290 ppm2      1.257 CV     1
 ASSI {   32}
   (( segid "tbr1" and resid 11   and name HN  ))
   (  segid "tbr1" and resid 10   and name HD1%)
      2.700     0.900     0.900 peak    32 spectrum    1 weight  0.11000E+01 volume  0.41545E-02 ppm1      8.290 ppm2      0.703 CV     1
 ASSI {   33}
   (( segid "tbr1" and resid 85   and name HN  ))
   (( segid "tbr1" and resid 85   and name HA  ))
      2.600     0.800     0.800 peak    33 spectrum    1 weight  0.11000E+01 volume  0.43074E-02 ppm1      7.968 ppm2      4.171 CV     1
 ASSI {   34}
   (( segid "tbr1" and resid 50   and name HN  ))
   (( segid "tbr1" and resid 49   and name HA  ))
      2.100     0.500     0.500 peak    34 spectrum    1 weight  0.11000E+01 volume  0.90649E-02 ppm1      8.617 ppm2      4.219 CV     1
 ASSI {   35}
   (( segid "tbr1" and resid 50   and name HN  ))
   (( segid "tbr1" and resid 50   and name HA  ))
      2.600     0.800     0.800 peak    35 spectrum    1 weight  0.11000E+01 volume  0.29933E-02 ppm1      8.617 ppm2      3.679 CV     1
 ASSI {   36}
   (( segid "tbr1" and resid 50   and name HN  ))
   (( segid "tbr1" and resid 50   and name HB1 ))
      2.100     0.600     0.600 peak    36 spectrum    1 weight  0.11000E+01 volume  0.95527E-02 ppm1      8.617 ppm2      1.806 CV     1
 OR {   36}
   (( segid "tbr1" and resid 50   and name HN  ))
   (( segid "tbr1" and resid 50   and name HB2 ))
 ASSI {   37}
   (( segid "tbr1" and resid 50   and name HN  ))
   (  segid "tbr1" and resid 49   and name HB% )
      2.500     0.800     0.800 peak    37 spectrum    1 weight  0.11000E+01 volume  0.42041E-02 ppm1      8.617 ppm2      1.505 CV     1
 ASSI {   38}
   (( segid "tbr1" and resid 72   and name HN  ))
   (( segid "tbr1" and resid 71   and name HA  ))
      2.400     0.700     0.700 peak    38 spectrum    1 weight  0.11000E+01 volume  0.59820E-02 ppm1      8.539 ppm2      4.346 CV     1
 ASSI {   39}
   (( segid "tbr1" and resid 72   and name HN  ))
   (( segid "tbr1" and resid 72   and name HB  ))
      2.700     0.900     0.900 peak    39 spectrum    1 weight  0.11000E+01 volume  0.25575E-02 ppm1      8.539 ppm2      3.957 CV     1
 ASSI {   40}
   (( segid "tbr1" and resid 71   and name HN  ))
   (( segid "tbr1" and resid 71   and name HB  ))
      3.000     1.100     1.100 peak    40 spectrum    1 weight  0.11000E+01 volume  0.20064E-02 ppm1      8.291 ppm2      2.163 CV     1
 ASSI {   41}
   (( segid "tbr1" and resid 71   and name HN  ))
   (  segid "tbr1" and resid 71   and name HG2%)
      2.800     1.000     1.000 peak    41 spectrum    1 weight  0.11000E+01 volume  0.30462E-02 ppm1      8.290 ppm2      0.942 CV     1
 OR {   41}
   (( segid "tbr1" and resid 71   and name HN  ))
   (  segid "tbr1" and resid 71   and name HG1%)
 ASSI {   42}
   (( segid "tbr1" and resid 53   and name HN  ))
   (( segid "tbr1" and resid 53   and name HA  ))
      2.700     0.900     0.900 peak    42 spectrum    1 weight  0.11000E+01 volume  0.25077E-02 ppm1      7.528 ppm2      4.182 CV     1
 ASSI {   43}
   (( segid "tbr1" and resid 53   and name HN  ))
   (( segid "tbr1" and resid 53   and name HB2 ))
      2.300     0.700     0.700 peak    43 spectrum    1 weight  0.11000E+01 volume  0.42283E-02 ppm1      7.528 ppm2      2.200 CV     1
 ASSI {   44}
   (( segid "tbr1" and resid 53   and name HN  ))
   (( segid "tbr1" and resid 53   and name HG  ))
      2.700     2.700     3.300 peak    44 spectrum    1 weight  0.11000E+01 volume  0.44400E-02 ppm1      7.528 ppm2      1.879 CV     1
 ASSI {   45}
   (( segid "tbr1" and resid 53   and name HN  ))
   (( segid "tbr1" and resid 53   and name HB1 ))
      3.500     1.500     1.500 peak    45 spectrum    1 weight  0.11000E+01 volume  0.23372E-02 ppm1      7.529 ppm2      1.023 CV     1
 ASSI {   46}
   (( segid "tbr1" and resid 53   and name HN  ))
   (  segid "tbr1" and resid 53   and name HD2%)
      3.400     3.400     2.600 peak    46 spectrum    1 weight  0.11000E+01 volume  0.20963E-02 ppm1      7.527 ppm2      0.821 CV     1
 ASSI {   47}
   (( segid "tbr1" and resid 34   and name HN  ))
   (( segid "tbr1" and resid 34   and name HB  ))
      2.700     0.900     0.900 peak    47 spectrum    1 weight  0.11000E+01 volume  0.23367E-02 ppm1      8.678 ppm2      1.885 CV     1
 ASSI {   48}
   (( segid "tbr1" and resid 41   and name HN  ))
   (( segid "tbr1" and resid 40   and name HA  ))
      2.200     0.600     0.600 peak    48 spectrum    1 weight  0.11000E+01 volume  0.10205E-01 ppm1      8.296 ppm2      4.612 CV     1
 ASSI {   49}
   (( segid "tbr1" and resid 41   and name HN  ))
   (( segid "tbr1" and resid 41   and name HB  ))
      2.600     0.800     0.800 peak    49 spectrum    1 weight  0.11000E+01 volume  0.37918E-02 ppm1      8.297 ppm2      1.885 CV     1
 ASSI {   50}
   (( segid "tbr1" and resid 17   and name HN  ))
   (( segid "tbr1" and resid 17   and name HB1 ))
      3.000     3.000     3.000 peak    50 spectrum    1 weight  0.11000E+01 volume  0.57514E-02 ppm1      7.731 ppm2      3.036 CV     1
 ASSI {   52}
   (( segid "tbr1" and resid 80   and name HN  ))
   (( segid "tbr1" and resid 79   and name HA  ))
      2.200     0.600     0.600 peak    52 spectrum    1 weight  0.11000E+01 volume  0.85580E-02 ppm1      8.449 ppm2      4.682 CV     1
 ASSI {   53}
   (( segid "tbr1" and resid 80   and name HN  ))
   (( segid "tbr1" and resid 80   and name HB2 ))
      2.800     1.000     1.000 peak    53 spectrum    1 weight  0.11000E+01 volume  0.44141E-02 ppm1      8.449 ppm2      2.473 CV     1
 ASSI {   54}
   (( segid "tbr1" and resid 80   and name HN  ))
   (( segid "tbr1" and resid 79   and name HG1 ))
      3.400     1.400     1.400 peak    54 spectrum    1 weight  0.11000E+01 volume  0.28823E-02 ppm1      8.449 ppm2      2.354 CV     1
 OR {   54}
   (( segid "tbr1" and resid 80   and name HN  ))
   (( segid "tbr1" and resid 79   and name HG2 ))
 ASSI {   55}
   (( segid "tbr1" and resid 80   and name HN  ))
   (( segid "tbr1" and resid 79   and name HB2 ))
      3.400     1.400     1.400 peak    55 spectrum    1 weight  0.11000E+01 volume  0.28201E-02 ppm1      8.448 ppm2      2.099 CV     1
 ASSI {   56}
   (( segid "tbr1" and resid 80   and name HN  ))
   (  segid "tbr1" and resid 10   and name HD1%)
      2.900     1.100     1.100 peak    56 spectrum    1 weight  0.11000E+01 volume  0.25318E-02 ppm1      8.449 ppm2      0.704 CV     1
 ASSI {   57}
   (( segid "tbr1" and resid 31   and name HN  ))
   (( segid "tbr1" and resid 31   and name HB1 ))
      2.700     0.900     0.900 peak    57 spectrum    1 weight  0.11000E+01 volume  0.23787E-02 ppm1      8.749 ppm2      2.861 CV     1
 ASSI {   58}
   (( segid "tbr1" and resid 84   and name HN  ))
   (( segid "tbr1" and resid 83   and name HA  ))
      2.700     0.900     0.900 peak    58 spectrum    1 weight  0.11000E+01 volume  0.32748E-02 ppm1      7.573 ppm2      4.531 CV     1
 ASSI {   59}
   (( segid "tbr1" and resid 84   and name HN  ))
   (( segid "tbr1" and resid 84   and name HA  ))
      2.900     1.000     1.000 peak    59 spectrum    1 weight  0.11000E+01 volume  0.23732E-02 ppm1      7.570 ppm2      4.173 CV     1
 ASSI {   60}
   (( segid "tbr1" and resid 84   and name HN  ))
   (( segid "tbr1" and resid 84   and name HB2 ))
      2.800     0.900     0.900 peak    60 spectrum    1 weight  0.11000E+01 volume  0.30879E-02 ppm1      7.572 ppm2      1.768 CV     1
 ASSI {   61}
   (( segid "tbr1" and resid 84   and name HN  ))
   (( segid "tbr1" and resid 84   and name HB1 ))
      2.900     1.100     1.100 peak    61 spectrum    1 weight  0.11000E+01 volume  0.26062E-02 ppm1      7.573 ppm2      1.401 CV     1
 ASSI {   62}
   (( segid "tbr1" and resid 26   and name HN  ))
   (  segid "tbr1" and resid 26   and name HG2%)
      2.400     0.700     0.700 peak    62 spectrum    1 weight  0.11000E+01 volume  0.47747E-02 ppm1      9.261 ppm2      0.885 CV     1
 ASSI {   63}
   (( segid "tbr1" and resid 26   and name HN  ))
   (  segid "tbr1" and resid 25   and name HG1%)
      2.700     0.900     0.900 peak    63 spectrum    1 weight  0.11000E+01 volume  0.34573E-02 ppm1      9.260 ppm2      0.798 CV     1
 OR {   63}
   (( segid "tbr1" and resid 26   and name HN  ))
   (  segid "tbr1" and resid 25   and name HG2%)
 ASSI {   64}
   (( segid "tbr1" and resid 48   and name HN  ))
   (( segid "tbr1" and resid 48   and name HB  ))
      2.600     0.800     0.800 peak    64 spectrum    1 weight  0.11000E+01 volume  0.28745E-02 ppm1      8.791 ppm2      1.637 CV     1
 ASSI {   65}
   (( segid "tbr1" and resid 48   and name HN  ))
   (  segid "tbr1" and resid 48   and name HG2%)
      3.200     1.300     1.300 peak    65 spectrum    1 weight  0.11000E+01 volume  0.30532E-02 ppm1      8.790 ppm2      0.871 CV     1
 ASSI {   66}
   (( segid "tbr1" and resid 25   and name HN  ))
   (( segid "tbr1" and resid 24   and name HB2 ))
      3.000     1.200     1.200 peak    66 spectrum    1 weight  0.11000E+01 volume  0.22207E-02 ppm1      8.498 ppm2      3.532 CV     1
 ASSI {   67}
   (( segid "tbr1" and resid 25   and name HN  ))
   (( segid "tbr1" and resid 24   and name HB1 ))
      3.200     1.200     1.200 peak    67 spectrum    1 weight  0.11000E+01 volume  0.35342E-02 ppm1      8.498 ppm2      3.410 CV     1
 ASSI {   68}
   (( segid "tbr1" and resid 25   and name HN  ))
   (( segid "tbr1" and resid 25   and name HB  ))
      2.800     1.000     1.000 peak    68 spectrum    1 weight  0.11000E+01 volume  0.26858E-02 ppm1      8.496 ppm2      1.776 CV     1
 ASSI {   69}
   (( segid "tbr1" and resid 25   and name HN  ))
   (  segid "tbr1" and resid 25   and name HG2%)
      2.600     0.900     0.900 peak    69 spectrum    1 weight  0.11000E+01 volume  0.37862E-02 ppm1      8.499 ppm2      0.824 CV     1
 OR {   69}
   (( segid "tbr1" and resid 25   and name HN  ))
   (  segid "tbr1" and resid 25   and name HG1%)
 ASSI {   70}
   (( segid "tbr1" and resid 56   and name HN  ))
   (( segid "tbr1" and resid 56   and name HB1 ))
      3.000     1.100     1.100 peak    70 spectrum    1 weight  0.11000E+01 volume  0.33704E-02 ppm1      8.564 ppm2      1.776 CV     1
 OR {   70}
   (( segid "tbr1" and resid 56   and name HN  ))
   (( segid "tbr1" and resid 56   and name HG2 ))
 ASSI {   71}
   (( segid "tbr1" and resid 74   and name HN  ))
   (( segid "tbr1" and resid 73   and name HA  ))
      2.400     0.700     0.700 peak    71 spectrum    1 weight  0.11000E+01 volume  0.54979E-02 ppm1      8.204 ppm2      4.487 CV     1
 ASSI {   72}
   (( segid "tbr1" and resid 83   and name HN  ))
   (( segid "tbr1" and resid 83   and name HA  ))
      2.900     1.100     1.100 peak    72 spectrum    1 weight  0.11000E+01 volume  0.21130E-02 ppm1      9.071 ppm2      4.536 CV     1
 ASSI {   73}
   (( segid "tbr1" and resid 78   and name HN  ))
   (( segid "tbr1" and resid 77   and name HB2 ))
      2.900     1.100     1.100 peak    73 spectrum    1 weight  0.11000E+01 volume  0.25654E-02 ppm1      8.400 ppm2      3.487 CV     1
 ASSI {   74}
   (( segid "tbr1" and resid 33   and name HN  ))
   (  segid "tbr1" and resid 32   and name HG1%)
      2.900     1.000     1.000 peak    74 spectrum    1 weight  0.11000E+01 volume  0.31705E-02 ppm1      8.774 ppm2      0.958 CV     1
 ASSI {   75}
   (( segid "tbr1" and resid 52   and name HN  ))
   (( segid "tbr1" and resid 52   and name HB2 ))
      2.400     2.400     3.600 peak    75 spectrum    1 weight  0.11000E+01 volume  0.31254E-02 ppm1      7.456 ppm2      2.796 CV     1
 ASSI {   76}
   (( segid "tbr1" and resid 52   and name HN  ))
   (( segid "tbr1" and resid 52   and name HB1 ))
      2.900     1.100     1.100 peak    76 spectrum    1 weight  0.11000E+01 volume  0.47637E-02 ppm1      7.456 ppm2      2.580 CV     1
 ASSI {   77}
   (( segid "tbr1" and resid 52   and name HN  ))
   (  segid "tbr1" and resid 51   and name HD1%)
      3.400     1.400     1.400 peak    77 spectrum    1 weight  0.11000E+01 volume  0.39872E-02 ppm1      7.456 ppm2      0.845 CV     1
 OR {   77}
   (( segid "tbr1" and resid 52   and name HN  ))
   (  segid "tbr1" and resid 51   and name HG2%)
 ASSI {   78}
   (( segid "tbr1" and resid 52   and name HN  ))
   (  segid "tbr1" and resid 49   and name HB% )
      2.900     1.100     1.100 peak    78 spectrum    1 weight  0.11000E+01 volume  0.21846E-02 ppm1      7.454 ppm2      1.506 CV     1
 ASSI {   79}
   (( segid "tbr1" and resid 79   and name HN  ))
   (( segid "tbr1" and resid 79   and name HB1 ))
      3.400     1.400     1.400 peak    79 spectrum    1 weight  0.11000E+01 volume  0.26770E-02 ppm1      7.327 ppm2      1.825 CV     1
 ASSI {   80}
   (( segid "tbr1" and resid 79   and name HN  ))
   (( segid "tbr1" and resid 79   and name HA  ))
      2.900     1.000     1.000 peak    80 spectrum    1 weight  0.11000E+01 volume  0.21450E-02 ppm1      7.321 ppm2      4.681 CV     1
 ASSI {   82}
   (( segid "tbr1" and resid 24   and name HN  ))
   (( segid "tbr1" and resid 23   and name HB  ))
      3.100     1.200     1.200 peak    82 spectrum    1 weight  0.11000E+01 volume  0.29160E-02 ppm1      8.921 ppm2      4.121 CV     1
 ASSI {   83}
   (( segid "tbr1" and resid 24   and name HN  ))
   (  segid "tbr1" and resid 23   and name HG2%)
      2.900     1.000     1.000 peak    83 spectrum    1 weight  0.11000E+01 volume  0.37988E-02 ppm1      8.922 ppm2      1.282 CV     1
 ASSI {   84}
   (( segid "tbr1" and resid 40   and name HN  ))
   (( segid "tbr1" and resid 40   and name HB1 ))
      3.100     1.200     1.200 peak    84 spectrum    1 weight  0.11000E+01 volume  0.20189E-02 ppm1      7.607 ppm2      1.662 CV     1
 ASSI {   85}
   (( segid "tbr1" and resid 40   and name HN  ))
   (( segid "tbr1" and resid 40   and name HA  ))
      2.600     0.900     0.900 peak    85 spectrum    1 weight  0.11000E+01 volume  0.36567E-02 ppm1      7.606 ppm2      4.610 CV     1
 ASSI {   87}
   (( segid "tbr1" and resid 20   and name HN  ))
   (( segid "tbr1" and resid 20   and name HB1 ))
      3.600     1.600     1.600 peak    87 spectrum    1 weight  0.11000E+01 volume  0.28847E-02 ppm1      6.949 ppm2      2.206 CV     1
 ASSI {   89}
   (( segid "tbr1" and resid 58   and name HN  ))
   (( segid "tbr1" and resid 59   and name HD1 ))
      2.800     1.000     1.000 peak    89 spectrum    1 weight  0.11000E+01 volume  0.27256E-02 ppm1      6.921 ppm2      3.438 CV     1
 ASSI {   90}
   (( segid "tbr1" and resid 58   and name HN  ))
   (( segid "tbr1" and resid 58   and name HB2 ))
      2.800     1.000     1.000 peak    90 spectrum    1 weight  0.11000E+01 volume  0.25631E-02 ppm1      6.921 ppm2      1.667 CV     1
 ASSI {   91}
   (( segid "tbr1" and resid 47   and name HN  ))
   (( segid "tbr1" and resid 47   and name HB1 ))
      2.600     0.900     0.900 peak    91 spectrum    1 weight  0.11000E+01 volume  0.34948E-02 ppm1      8.388 ppm2      3.184 CV     1
 ASSI {   92}
   (( segid "tbr1" and resid 47   and name HN  ))
   (( segid "tbr1" and resid 46   and name HB1 ))
      2.900     1.100     1.100 peak    92 spectrum    1 weight  0.11000E+01 volume  0.27601E-02 ppm1      8.388 ppm2      2.365 CV     1
 ASSI {   93}
   (( segid "tbr1" and resid 47   and name HN  ))
   (( segid "tbr1" and resid 46   and name HB2 ))
      3.200     1.300     1.300 peak    93 spectrum    1 weight  0.10000E+01 volume  0.34985E-02 ppm1      8.388 ppm2      2.264 CV     1
 ASSI {   94}
   (( segid "tbr1" and resid 37   and name HN  ))
   (  segid "tbr1" and resid 37   and name HG2%)
      2.700     0.900     0.900 peak    94 spectrum    1 weight  0.11000E+01 volume  0.29246E-02 ppm1      8.385 ppm2      1.182 CV     1
 ASSI {   95}
   (( segid "tbr1" and resid 21   and name HN  ))
   (( segid "tbr1" and resid 21   and name HA  ))
      2.400     0.700     0.700 peak    95 spectrum    1 weight  0.11000E+01 volume  0.65533E-02 ppm1      8.266 ppm2      4.107 CV     1
 ASSI {   96}
   (( segid "tbr1" and resid 61   and name HN  ))
   (( segid "tbr1" and resid 61   and name HA  ))
      2.700     0.900     0.900 peak    96 spectrum    1 weight  0.11000E+01 volume  0.35276E-02 ppm1      8.366 ppm2      3.996 CV     1
 ASSI {   97}
   (( segid "tbr1" and resid 61   and name HN  ))
   (( segid "tbr1" and resid 61   and name HB  ))
      2.500     0.800     0.800 peak    97 spectrum    1 weight  0.11000E+01 volume  0.47773E-02 ppm1      8.366 ppm2      2.126 CV     1
 ASSI {   98}
   (( segid "tbr1" and resid 61   and name HN  ))
   (  segid "tbr1" and resid 61   and name HG2%)
      2.500     2.500     3.500 peak    98 spectrum    1 weight  0.11000E+01 volume  0.52729E-02 ppm1      8.366 ppm2      0.948 CV     1
 ASSI {   99}
   (( segid "tbr1" and resid 61   and name HN  ))
   (  segid "tbr1" and resid 61   and name HG1%)
      2.900     1.100     1.100 peak    99 spectrum    1 weight  0.11000E+01 volume  0.39071E-02 ppm1      8.365 ppm2      0.856 CV     1
 ASSI {  100}
   (( segid "tbr1" and resid 30   and name HN  ))
   (( segid "tbr1" and resid 29   and name HA  ))
      2.600     0.800     0.800 peak   100 spectrum    1 weight  0.11000E+01 volume  0.34866E-02 ppm1      8.355 ppm2      4.677 CV     1
 ASSI {  101}
   (( segid "tbr1" and resid 30   and name HN  ))
   (( segid "tbr1" and resid 30   and name HB2 ))
      2.700     0.900     0.900 peak   101 spectrum    1 weight  0.11000E+01 volume  0.20723E-02 ppm1      8.356 ppm2      3.033 CV     1
 ASSI {  102}
   (( segid "tbr1" and resid 30   and name HN  ))
   (( segid "tbr1" and resid 29   and name HB1 ))
      3.500     1.500     1.500 peak   102 spectrum    1 weight  0.11000E+01 volume  0.22895E-02 ppm1      8.356 ppm2      1.682 CV     1
 ASSI {  103}
   (( segid "tbr1" and resid 30   and name HN  ))
   (( segid "tbr1" and resid 10   and name HG  ))
      2.900     1.000     1.000 peak   103 spectrum    1 weight  0.11000E+01 volume  0.23365E-02 ppm1      8.355 ppm2      0.733 CV     1
 ASSI {  104}
   (( segid "tbr1" and resid 30   and name HN  ))
   (  segid "tbr1" and resid 29   and name HD1%)
      3.100     1.200     1.200 peak   104 spectrum    1 weight  0.11000E+01 volume  0.25835E-02 ppm1      8.353 ppm2      0.838 CV     1
 ASSI {  105}
   (( segid "tbr1" and resid 62   and name HN  ))
   (( segid "tbr1" and resid 62   and name HA  ))
      2.800     1.000     1.000 peak   105 spectrum    1 weight  0.11000E+01 volume  0.23397E-02 ppm1      7.065 ppm2      4.607 CV     1
 ASSI {  106}
   (( segid "tbr1" and resid 62   and name HN  ))
   (( segid "tbr1" and resid 62   and name HB2 ))
      2.600     0.900     0.900 peak   106 spectrum    1 weight  0.11000E+01 volume  0.32800E-02 ppm1      7.066 ppm2      2.783 CV     1
 ASSI {  107}
   (( segid "tbr1" and resid 62   and name HN  ))
   (  segid "tbr1" and resid 61   and name HG2%)
      3.200     1.300     1.300 peak   107 spectrum    1 weight  0.11000E+01 volume  0.20264E-02 ppm1      7.066 ppm2      0.946 CV     1
 ASSI {  108}
   (( segid "tbr1" and resid 62   and name HN  ))
   (( segid "tbr1" and resid 62   and name HB1 ))
      2.900     1.100     1.100 peak   108 spectrum    1 weight  0.11000E+01 volume  0.21104E-02 ppm1      7.064 ppm2      3.256 CV     1
 ASSI {  109}
   (( segid "tbr1" and resid 16   and name HN  ))
   (( segid "tbr1" and resid 16   and name HB1 ))
      2.800     1.000     1.000 peak   109 spectrum    1 weight  0.11000E+01 volume  0.28007E-02 ppm1      7.982 ppm2      1.675 CV     1
 OR {  109}
   (( segid "tbr1" and resid 16   and name HN  ))
   (( segid "tbr1" and resid 16   and name HB2 ))
 ASSI {  110}
   (( segid "tbr1" and resid 81   and name HN  ))
   (( segid "tbr1" and resid 81   and name HA  ))
      2.500     0.800     0.800 peak   110 spectrum    1 weight  0.11000E+01 volume  0.43397E-02 ppm1      9.543 ppm2      3.725 CV     1
 ASSI {  111}
   (( segid "tbr1" and resid 18   and name HN  ))
   (  segid "tbr1" and resid 18   and name HG2%)
      3.000     1.200     1.200 peak   111 spectrum    1 weight  0.11000E+01 volume  0.21909E-02 ppm1      8.001 ppm2      1.298 CV     1
 ASSI {  112}
   (( segid "tbr1" and resid 51   and name HN  ))
   (( segid "tbr1" and resid 51   and name HA  ))
      2.600     0.800     0.800 peak   112 spectrum    1 weight  0.11000E+01 volume  0.41543E-02 ppm1      8.084 ppm2      3.990 CV     1
 ASSI {  113}
   (( segid "tbr1" and resid 51   and name HN  ))
   (( segid "tbr1" and resid 50   and name HB2 ))
      2.100     0.500     0.500 peak   113 spectrum    1 weight  0.11000E+01 volume  0.12052E-01 ppm1      8.084 ppm2      1.809 CV     1
 OR {  113}
   (( segid "tbr1" and resid 51   and name HN  ))
   (( segid "tbr1" and resid 50   and name HB1 ))
 ASSI {  114}
   (( segid "tbr1" and resid 51   and name HN  ))
   (  segid "tbr1" and resid 49   and name HB% )
      2.700     0.900     0.900 peak   114 spectrum    1 weight  0.11000E+01 volume  0.33966E-02 ppm1      8.084 ppm2      1.507 CV     1
 ASSI {  115}
   (( segid "tbr1" and resid 51   and name HN  ))
   (( segid "tbr1" and resid 51   and name HG12))
      2.800     1.000     1.000 peak   115 spectrum    1 weight  0.11000E+01 volume  0.26084E-02 ppm1      8.084 ppm2      1.208 CV     1
 ASSI {  116}
   (( segid "tbr1" and resid 51   and name HN  ))
   (  segid "tbr1" and resid 51   and name HG2%)
      2.300     0.600     0.600 peak   116 spectrum    1 weight  0.11000E+01 volume  0.79541E-02 ppm1      8.084 ppm2      0.837 CV     1
 OR {  116}
   (( segid "tbr1" and resid 51   and name HN  ))
   (  segid "tbr1" and resid 51   and name HD1%)
 ASSI {  117}
   (( segid "tbr1" and resid 32   and name HN  ))
   (  segid "tbr1" and resid 32   and name HG2%)
      2.700     0.900     0.900 peak   117 spectrum    1 weight  0.11000E+01 volume  0.31016E-02 ppm1      8.581 ppm2      0.791 CV     1
 ASSI {  118}
   (( segid "tbr1" and resid 82   and name HN  ))
   (( segid "tbr1" and resid 82   and name HA  ))
      2.800     1.000     1.000 peak   118 spectrum    1 weight  0.11000E+01 volume  0.34204E-02 ppm1      8.235 ppm2      4.588 CV     1
 ASSI {  119}
   (( segid "tbr1" and resid 82   and name HN  ))
   (( segid "tbr1" and resid 82   and name HB1 ))
      2.600     0.900     0.900 peak   119 spectrum    1 weight  0.11000E+01 volume  0.32857E-02 ppm1      8.235 ppm2      3.486 CV     1
 ASSI {  120}
   (( segid "tbr1" and resid 89   and name HN  ))
   (( segid "tbr1" and resid 88   and name HA  ))
      2.600     0.800     0.800 peak   120 spectrum    1 weight  0.11000E+01 volume  0.46971E-02 ppm1      8.179 ppm2      4.472 CV     1
 ASSI {  121}
   (( segid "tbr1" and resid 49   and name HN  ))
   (( segid "tbr1" and resid 48   and name HA  ))
      2.000     0.500     0.500 peak   121 spectrum    1 weight  0.11000E+01 volume  0.13192E-01 ppm1      8.824 ppm2      4.282 CV     1
 ASSI {  122}
   (( segid "tbr1" and resid 49   and name HN  ))
   (  segid "tbr1" and resid 49   and name HB% )
      2.200     0.600     0.600 peak   122 spectrum    1 weight  0.11000E+01 volume  0.92565E-02 ppm1      8.824 ppm2      1.503 CV     1
 ASSI {  123}
   (( segid "tbr1" and resid 49   and name HN  ))
   (  segid "tbr1" and resid 48   and name HG2%)
      2.800     1.000     1.000 peak   123 spectrum    1 weight  0.11000E+01 volume  0.41373E-02 ppm1      8.825 ppm2      0.866 CV     1
 ASSI {  124}
   (( segid "tbr1" and resid 43   and name HN  ))
   (( segid "tbr1" and resid 42   and name HA  ))
      2.600     0.800     0.800 peak   124 spectrum    1 weight  0.11000E+01 volume  0.36370E-02 ppm1      8.793 ppm2      4.336 CV     1
 ASSI {  126}
   (( segid "tbr1" and resid 57   and name HN  ))
   (( segid "tbr1" and resid 57   and name HA  ))
      2.600     0.900     0.900 peak   126 spectrum    1 weight  0.11000E+01 volume  0.39774E-02 ppm1      8.436 ppm2      4.364 CV     1
 ASSI {  127}
   (( segid "tbr1" and resid 57   and name HN  ))
   (( segid "tbr1" and resid 57   and name HB1 ))
      2.600     0.800     0.800 peak   127 spectrum    1 weight  0.11000E+01 volume  0.43679E-02 ppm1      8.436 ppm2      2.618 CV     1
 OR {  127}
   (( segid "tbr1" and resid 57   and name HN  ))
   (( segid "tbr1" and resid 57   and name HB2 ))
 ASSI {  128}
   (( segid "tbr1" and resid 57   and name HN  ))
   (( segid "tbr1" and resid 56   and name HB1 ))
      2.800     1.000     1.000 peak   128 spectrum    1 weight  0.11000E+01 volume  0.29671E-02 ppm1      8.434 ppm2      1.777 CV     1
 OR {  128}
   (( segid "tbr1" and resid 57   and name HN  ))
   (( segid "tbr1" and resid 56   and name HG2 ))
 ASSI {  131}
   (( segid "tbr1" and resid 60   and name HN  ))
   (( segid "tbr1" and resid 60   and name HB1 ))
      2.400     2.400     3.600 peak   131 spectrum    1 weight  0.11000E+01 volume  0.34726E-02 ppm1      8.722 ppm2      3.369 CV     1
 ASSI {  132}
   (( segid "tbr1" and resid 60   and name HN  ))
   (( segid "tbr1" and resid 60   and name HB2 ))
      3.400     1.500     1.500 peak   132 spectrum    1 weight  0.11000E+01 volume  0.26428E-02 ppm1      8.722 ppm2      3.234 CV     1
 ASSI {  133}
   (( segid "tbr1" and resid 28   and name HN  ))
   (( segid "tbr1" and resid 28   and name HA2 ))
      2.400     0.700     0.700 peak   133 spectrum    1 weight  0.11000E+01 volume  0.42337E-02 ppm1      8.343 ppm2      4.150 CV     1
 OR {  133}
   (( segid "tbr1" and resid 28   and name HN  ))
   (( segid "tbr1" and resid 28   and name HA1 ))
 ASSI {  134}
   (( segid "tbr1" and resid 28   and name HN  ))
   (  segid "tbr1" and resid 48   and name HG2%)
      3.100     1.200     1.200 peak   134 spectrum    1 weight  0.11000E+01 volume  0.29531E-02 ppm1      8.342 ppm2      0.876 CV     1
 ASSI {  135}
   (( segid "tbr1" and resid 23   and name HN  ))
   (( segid "tbr1" and resid 20   and name HB2 ))
      2.800     1.000     1.000 peak   135 spectrum    1 weight  0.10000E+01 volume  0.29145E-02 ppm1      7.212 ppm2      3.036 CV     1
 ASSI {  142}
   (( segid "tbr1" and resid 36   and name HN  ))
   (( segid "tbr1" and resid 35   and name HA  ))
      2.200     0.600     0.600 peak   142 spectrum    1 weight  0.11000E+01 volume  0.90566E-02 ppm1      8.995 ppm2      5.053 CV     1
 ASSI {  146}
   (( segid "tbr1" and resid 22   and name HN  ))
   (  segid "tbr1" and resid 22   and name HD% )
      2.900     1.100     1.100 peak   146 spectrum    1 weight  0.11000E+01 volume  0.34107E-02 ppm1      7.591 ppm2      7.214 CV     1
 ASSI {  147}
   (( segid "tbr1" and resid 63   and name HN  ))
   (( segid "tbr1" and resid 62   and name HN  ))
      2.300     0.600     0.600 peak   147 spectrum    1 weight  0.11000E+01 volume  0.71230E-02 ppm1      7.576 ppm2      7.066 CV     1
 ASSI {  148}
   (( segid "tbr1" and resid 14   and name HN  ))
   (( segid "tbr1" and resid 13   and name HA  ))
      2.500     0.800     0.800 peak   148 spectrum    1 weight  0.11000E+01 volume  0.31786E-02 ppm1      7.816 ppm2      4.998 CV     1
 ASSI {  149}
   (( segid "tbr1" and resid 73   and name HN  ))
   (( segid "tbr1" and resid 72   and name HA  ))
      2.500     0.800     0.800 peak   149 spectrum    1 weight  0.11000E+01 volume  0.40528E-02 ppm1      8.725 ppm2      5.155 CV     1
 ASSI {  150}
   (( segid "tbr1" and resid 34   and name HN  ))
   (( segid "tbr1" and resid 33   and name HA  ))
      2.300     0.600     0.600 peak   150 spectrum    1 weight  0.11000E+01 volume  0.62206E-02 ppm1      8.678 ppm2      5.276 CV     1
 ASSI {  151}
   (( segid "tbr1" and resid 17   and name HN  ))
   (( segid "tbr1" and resid 17   and name HA  ))
      2.800     1.000     1.000 peak   151 spectrum    1 weight  0.11000E+01 volume  0.30008E-02 ppm1      7.730 ppm2      4.990 CV     1
 ASSI {  152}
   (( segid "tbr1" and resid 13   and name HN  ))
   (( segid "tbr1" and resid 12   and name HA  ))
      2.700     0.900     0.900 peak   152 spectrum    1 weight  0.11000E+01 volume  0.27349E-02 ppm1      9.483 ppm2      4.856 CV     1
 ASSI {  154}
   (( segid "tbr1" and resid 31   and name HN  ))
   (( segid "tbr1" and resid 30   and name HA  ))
      2.500     0.800     0.800 peak   154 spectrum    1 weight  0.11000E+01 volume  0.44432E-02 ppm1      8.748 ppm2      5.362 CV     1
 ASSI {  155}
   (( segid "tbr1" and resid 26   and name HN  ))
   (( segid "tbr1" and resid 25   and name HA  ))
      2.100     0.600     0.600 peak   155 spectrum    1 weight  0.11000E+01 volume  0.88701E-02 ppm1      9.260 ppm2      5.256 CV     1
 ASSI {  156}
   (( segid "tbr1" and resid 76   and name HN  ))
   (( segid "tbr1" and resid 75   and name HA  ))
      2.400     0.700     0.700 peak   156 spectrum    1 weight  0.11000E+01 volume  0.58630E-02 ppm1      8.291 ppm2      4.857 CV     1
 ASSI {  159}
   (( segid "tbr1" and resid 48   and name HN  ))
   (( segid "tbr1" and resid 47   and name HA  ))
      2.300     0.600     0.600 peak   159 spectrum    1 weight  0.11000E+01 volume  0.62501E-02 ppm1      8.789 ppm2      4.926 CV     1
 ASSI {  160}
   (( segid "tbr1" and resid 44   and name HN  ))
   (( segid "tbr1" and resid 43   and name HA  ))
      2.300     0.600     0.600 peak   160 spectrum    1 weight  0.11000E+01 volume  0.74440E-02 ppm1      8.705 ppm2      5.310 CV     1
 ASSI {  161}
   (( segid "tbr1" and resid 25   and name HN  ))
   (( segid "tbr1" and resid 24   and name HA  ))
      2.200     0.600     0.600 peak   161 spectrum    1 weight  0.11000E+01 volume  0.85092E-02 ppm1      8.498 ppm2      4.894 CV     1
 ASSI {  162}
   (( segid "tbr1" and resid 56   and name HN  ))
   (( segid "tbr1" and resid 55   and name HA  ))
      2.700     0.900     0.900 peak   162 spectrum    1 weight  0.11000E+01 volume  0.23166E-02 ppm1      8.564 ppm2      4.805 CV     1
 ASSI {  163}
   (( segid "tbr1" and resid 78   and name HN  ))
   (( segid "tbr1" and resid 77   and name HA  ))
      2.400     0.700     0.700 peak   163 spectrum    1 weight  0.11000E+01 volume  0.53791E-02 ppm1      8.400 ppm2      4.933 CV     1
 ASSI {  164}
   (( segid "tbr1" and resid 12   and name HN  ))
   (( segid "tbr1" and resid 11   and name HA  ))
      2.100     0.600     0.600 peak   164 spectrum    1 weight  0.11000E+01 volume  0.87020E-02 ppm1      9.115 ppm2      5.050 CV     1
 ASSI {  165}
   (( segid "tbr1" and resid 33   and name HN  ))
   (( segid "tbr1" and resid 32   and name HA  ))
      2.300     0.700     0.700 peak   165 spectrum    1 weight  0.11000E+01 volume  0.60364E-02 ppm1      8.774 ppm2      5.348 CV     1
 ASSI {  166}
   (( segid "tbr1" and resid 46   and name HN  ))
   (( segid "tbr1" and resid 45   and name HA  ))
      2.400     0.700     0.700 peak   166 spectrum    1 weight  0.11000E+01 volume  0.46107E-02 ppm1      9.073 ppm2      5.710 CV     1
 ASSI {  167}
   (( segid "tbr1" and resid 24   and name HN  ))
   (( segid "tbr1" and resid 23   and name HA  ))
      2.200     0.600     0.600 peak   167 spectrum    1 weight  0.11000E+01 volume  0.76261E-02 ppm1      8.921 ppm2      5.615 CV     1
 ASSI {  169}
   (( segid "tbr1" and resid 77   and name HN  ))
   (( segid "tbr1" and resid 76   and name HA  ))
      2.200     0.600     0.600 peak   169 spectrum    1 weight  0.11000E+01 volume  0.79547E-02 ppm1      9.060 ppm2      5.572 CV     1
 ASSI {  170}
   (( segid "tbr1" and resid 81   and name HN  ))
   (( segid "tbr1" and resid 80   and name HA  ))
      2.200     2.200     3.800 peak   170 spectrum    1 weight  0.11000E+01 volume  0.81964E-02 ppm1      9.543 ppm2      4.865 CV     1
 ASSI {  171}
   (( segid "tbr1" and resid 18   and name HN  ))
   (( segid "tbr1" and resid 17   and name HA  ))
      3.000     1.200     1.200 peak   171 spectrum    1 weight  0.11000E+01 volume  0.25353E-02 ppm1      8.001 ppm2      4.991 CV     1
 ASSI {  172}
   (( segid "tbr1" and resid 32   and name HN  ))
   (( segid "tbr1" and resid 31   and name HA  ))
      2.300     0.600     0.600 peak   172 spectrum    1 weight  0.11000E+01 volume  0.67633E-02 ppm1      8.581 ppm2      5.578 CV     1
 ASSI {  174}
   (( segid "tbr1" and resid 79   and name HE22))
   (( segid "tbr1" and resid 79   and name HE21))
      1.600     0.300     0.600 peak   174 spectrum    1 weight  0.11000E+01 volume  0.38724E-01 ppm1      7.476 ppm2      6.869 CV     1
 ASSI {  175}
   (( segid "tbr1" and resid 57   and name HN  ))
   (( segid "tbr1" and resid 58   and name HN  ))
      2.400     0.700     0.700 peak   175 spectrum    1 weight  0.11000E+01 volume  0.60149E-02 ppm1      8.436 ppm2      6.922 CV     1
 ASSI {  176}
   (( segid "tbr1" and resid 21   and name HD22))
   (( segid "tbr1" and resid 21   and name HD21))
      1.600     0.300     0.600 peak   176 spectrum    1 weight  0.11000E+01 volume  0.31207E-01 ppm1      7.622 ppm2      6.821 CV     1
 ASSI {  186}
   (( segid "tbr1" and resid 79   and name HN  ))
   (( segid "tbr1" and resid 78   and name HN  ))
      2.700     0.900     0.900 peak   186 spectrum    1 weight  0.11000E+01 volume  0.30877E-02 ppm1      7.326 ppm2      8.405 CV     1
 ASSI {  188}
   (( segid "tbr1" and resid 62   and name HN  ))
   (( segid "tbr1" and resid 61   and name HN  ))
      2.700     0.900     0.900 peak   188 spectrum    1 weight  0.11000E+01 volume  0.23368E-02 ppm1      7.066 ppm2      8.366 CV     1
 ASSI {  194}
   (( segid "tbr1" and resid 23   and name HN  ))
   (( segid "tbr1" and resid 22   and name HN  ))
      2.700     0.900     0.900 peak   194 spectrum    1 weight  0.11000E+01 volume  0.28627E-02 ppm1      7.213 ppm2      7.591 CV     1
 ASSI {  197}
   (( segid "tbr1" and resid 52   and name HN  ))
   (( segid "tbr1" and resid 51   and name HN  ))
      2.600     0.800     0.800 peak   197 spectrum    1 weight  0.11000E+01 volume  0.27339E-02 ppm1      7.455 ppm2      8.081 CV     1
 ASSI {  198}
   (( segid "tbr1" and resid 40   and name HN  ))
   (( segid "tbr1" and resid 39   and name HN  ))
      2.400     0.700     0.700 peak   198 spectrum    1 weight  0.11000E+01 volume  0.48290E-02 ppm1      7.607 ppm2      8.229 CV     1
 ASSI {  199}
   (( segid "tbr1" and resid 50   and name HN  ))
   (( segid "tbr1" and resid 51   and name HN  ))
      2.600     0.800     0.800 peak   199 spectrum    1 weight  0.11000E+01 volume  0.27608E-02 ppm1      8.617 ppm2      8.086 CV     1
 ASSI {  201}
   (( segid "tbr1" and resid 28   and name HN  ))
   (( segid "tbr1" and resid 27   and name HN  ))
      2.300     0.600     0.600 peak   201 spectrum    1 weight  0.10000E+01 volume  0.45411E-02 ppm1      8.342 ppm2      8.097 CV     1
 ASSI {  204}
   (( segid "tbr1" and resid 16   and name HN  ))
   (( segid "tbr1" and resid 17   and name HN  ))
      2.800     1.000     1.000 peak   204 spectrum    1 weight  0.11000E+01 volume  0.23696E-02 ppm1      7.982 ppm2      7.728 CV     1
 ASSI {  206}
   (( segid "tbr1" and resid 79   and name HN  ))
   (( segid "tbr1" and resid 78   and name HA  ))
      2.700     0.900     0.900 peak   206 spectrum    1 weight  0.11000E+01 volume  0.30304E-02 ppm1      7.325 ppm2      5.005 CV     1
 ASSI {  208}
   (( segid "tbr1" and resid 9    and name HN  ))
   (( segid "tbr1" and resid 9    and name HA  ))
      3.000     1.100     1.100 peak   208 spectrum    1 weight  0.11000E+01 volume  0.18401E-02 ppm1      8.137 ppm2      4.353 CV     1
 ASSI {  210}
   (( segid "tbr1" and resid 9    and name HN  ))
   (( segid "tbr1" and resid 10   and name HN  ))
      3.000     1.100     1.100 peak   210 spectrum    1 weight  0.11000E+01 volume  0.19458E-02 ppm1      8.137 ppm2      8.229 CV     1
 ASSI {  211}
   (( segid "tbr1" and resid 10   and name HN  ))
   (( segid "tbr1" and resid 26   and name HN  ))
      2.900     1.000     1.000 peak   211 spectrum    1 weight  0.11000E+01 volume  0.19938E-02 ppm1      8.255 ppm2      9.261 CV     1
 ASSI {  213}
   (( segid "tbr1" and resid 10   and name HN  ))
   (( segid "tbr1" and resid 25   and name HA  ))
      4.300     2.300     1.700 peak   213 spectrum    1 weight  0.11000E+01 volume  0.52532E-03 ppm1      8.253 ppm2      5.258 CV     1
 ASSI {  214}
   (( segid "tbr1" and resid 10   and name HN  ))
   (( segid "tbr1" and resid 26   and name HA  ))
      4.300     2.300     1.700 peak   214 spectrum    1 weight  0.11000E+01 volume  0.34035E-03 ppm1      8.250 ppm2      4.825 CV     1
 ASSI {  215}
   (( segid "tbr1" and resid 10   and name HN  ))
   (  segid "tbr1" and resid 8    and name HG2%)
      2.800     2.800     3.200 peak   215 spectrum    1 weight  0.11000E+01 volume  0.13134E-02 ppm1      8.255 ppm2      0.872 CV     1
 ASSI {  216}
   (( segid "tbr1" and resid 10   and name HN  ))
   (( segid "tbr1" and resid 10   and name HG  ))
      4.000     2.000     2.000 peak   216 spectrum    1 weight  0.11000E+01 volume  0.12765E-02 ppm1      8.253 ppm2      0.728 CV     1
 ASSI {  217}
   (( segid "tbr1" and resid 11   and name HN  ))
   (  segid "tbr1" and resid 25   and name HG2%)
      3.700     1.700     1.700 peak   217 spectrum    1 weight  0.11000E+01 volume  0.87394E-03 ppm1      8.289 ppm2      0.810 CV     1
 ASSI {  218}
   (( segid "tbr1" and resid 11   and name HN  ))
   (( segid "tbr1" and resid 10   and name HB2 ))
      4.300     2.300     1.700 peak   218 spectrum    1 weight  0.11000E+01 volume  0.65470E-03 ppm1      8.290 ppm2      1.556 CV     1
 ASSI {  219}
   (( segid "tbr1" and resid 11   and name HN  ))
   (( segid "tbr1" and resid 11   and name HB2 ))
      3.000     1.100     1.100 peak   219 spectrum    1 weight  0.11000E+01 volume  0.14976E-02 ppm1      8.290 ppm2      1.672 CV     1
 ASSI {  220}
   (( segid "tbr1" and resid 11   and name HN  ))
   (( segid "tbr1" and resid 11   and name HG1 ))
      4.200     2.200     1.800 peak   220 spectrum    1 weight  0.11000E+01 volume  0.75322E-03 ppm1      8.288 ppm2      2.005 CV     1
 ASSI {  221}
   (( segid "tbr1" and resid 11   and name HN  ))
   (( segid "tbr1" and resid 11   and name HG2 ))
      3.600     1.600     1.600 peak   221 spectrum    1 weight  0.11000E+01 volume  0.17552E-02 ppm1      8.292 ppm2      2.361 CV     1
 ASSI {  222}
   (( segid "tbr1" and resid 11   and name HN  ))
   (( segid "tbr1" and resid 6    and name HA  ))
      3.700     3.700     2.300 peak   222 spectrum    1 weight  0.10000E+01 volume  0.10414E-02 ppm1      8.289 ppm2      4.487 CV     1
 ASSI {  223}
   (( segid "tbr1" and resid 11   and name HN  ))
   (( segid "tbr1" and resid 12   and name HA  ))
      3.200     3.200     2.800 peak   223 spectrum    1 weight  0.11000E+01 volume  0.13571E-02 ppm1      8.289 ppm2      4.862 CV     1
 ASSI {  224}
   (( segid "tbr1" and resid 11   and name HN  ))
   (( segid "tbr1" and resid 11   and name HA  ))
      3.000     1.100     1.100 peak   224 spectrum    1 weight  0.11000E+01 volume  0.14590E-02 ppm1      8.292 ppm2      5.053 CV     1
 ASSI {  225}
   (( segid "tbr1" and resid 11   and name HN  ))
   (( segid "tbr1" and resid 25   and name HA  ))
      4.500     2.500     1.500 peak   225 spectrum    1 weight  0.11000E+01 volume  0.40043E-03 ppm1      8.295 ppm2      5.265 CV     1
 ASSI {  226}
   (( segid "tbr1" and resid 11   and name HN  ))
   (( segid "tbr1" and resid 80   and name HN  ))
      4.300     2.300     1.700 peak   226 spectrum    1 weight  0.11000E+01 volume  0.55068E-03 ppm1      8.289 ppm2      8.449 CV     1
 ASSI {  227}
   (( segid "tbr1" and resid 11   and name HN  ))
   (( segid "tbr1" and resid 12   and name HN  ))
      4.200     4.200     1.800 peak   227 spectrum    1 weight  0.11000E+01 volume  0.43942E-03 ppm1      8.289 ppm2      9.136 CV     1
 ASSI {  228}
   (( segid "tbr1" and resid 11   and name HN  ))
   (( segid "tbr1" and resid 81   and name HN  ))
      3.600     1.600     1.600 peak   228 spectrum    1 weight  0.11000E+01 volume  0.62100E-03 ppm1      8.289 ppm2      9.536 CV     1
 ASSI {  229}
   (( segid "tbr1" and resid 12   and name HN  ))
   (( segid "tbr1" and resid 24   and name HN  ))
      3.000     1.100     1.100 peak   229 spectrum    1 weight  0.11000E+01 volume  0.20620E-02 ppm1      9.115 ppm2      8.924 CV     1
 ASSI {  230}
   (( segid "tbr1" and resid 12   and name HN  ))
   (( segid "tbr1" and resid 23   and name HA  ))
      4.200     2.200     1.800 peak   230 spectrum    1 weight  0.11000E+01 volume  0.56165E-03 ppm1      9.111 ppm2      5.616 CV     1
 ASSI {  231}
   (( segid "tbr1" and resid 12   and name HN  ))
   (( segid "tbr1" and resid 25   and name HA  ))
      3.500     1.500     1.500 peak   231 spectrum    1 weight  0.11000E+01 volume  0.15583E-02 ppm1      9.115 ppm2      5.249 CV     1
 ASSI {  232}
   (( segid "tbr1" and resid 12   and name HN  ))
   (( segid "tbr1" and resid 12   and name HA  ))
      3.000     1.200     1.200 peak   232 spectrum    1 weight  0.11000E+01 volume  0.14651E-02 ppm1      9.115 ppm2      4.860 CV     1
 ASSI {  233}
   (( segid "tbr1" and resid 12   and name HN  ))
   (( segid "tbr1" and resid 23   and name HB  ))
      4.500     2.500     1.500 peak   233 spectrum    1 weight  0.11000E+01 volume  0.36929E-03 ppm1      9.116 ppm2      4.125 CV     1
 ASSI {  234}
   (( segid "tbr1" and resid 12   and name HN  ))
   (( segid "tbr1" and resid 12   and name HB1 ))
      3.300     1.400     1.400 peak   234 spectrum    1 weight  0.11000E+01 volume  0.17202E-02 ppm1      9.113 ppm2      3.105 CV     1
 ASSI {  235}
   (( segid "tbr1" and resid 12   and name HN  ))
   (( segid "tbr1" and resid 12   and name HB2 ))
      3.200     1.300     1.300 peak   235 spectrum    1 weight  0.11000E+01 volume  0.90554E-03 ppm1      9.113 ppm2      3.007 CV     1
 ASSI {  236}
   (( segid "tbr1" and resid 12   and name HN  ))
   (( segid "tbr1" and resid 11   and name HG2 ))
      4.000     2.000     2.000 peak   236 spectrum    1 weight  0.11000E+01 volume  0.59246E-03 ppm1      9.122 ppm2      2.351 CV     1
 ASSI {  237}
   (( segid "tbr1" and resid 12   and name HN  ))
   (( segid "tbr1" and resid 11   and name HG1 ))
      4.200     2.200     1.800 peak   237 spectrum    1 weight  0.11000E+01 volume  0.63992E-03 ppm1      9.117 ppm2      2.007 CV     1
 ASSI {  238}
   (( segid "tbr1" and resid 12   and name HN  ))
   (( segid "tbr1" and resid 25   and name HB  ))
      5.000     3.100     1.000 peak   238 spectrum    1 weight  0.11000E+01 volume  0.35305E-03 ppm1      9.108 ppm2      1.784 CV     1
 ASSI {  239}
   (( segid "tbr1" and resid 12   and name HN  ))
   (( segid "tbr1" and resid 11   and name HB2 ))
      4.200     2.200     1.800 peak   239 spectrum    1 weight  0.11000E+01 volume  0.10591E-02 ppm1      9.116 ppm2      1.668 CV     1
 ASSI {  240}
   (( segid "tbr1" and resid 12   and name HN  ))
   (( segid "tbr1" and resid 11   and name HB1 ))
      4.000     2.000     2.000 peak   240 spectrum    1 weight  0.11000E+01 volume  0.85111E-03 ppm1      9.116 ppm2      1.469 CV     1
 ASSI {  241}
   (( segid "tbr1" and resid 12   and name HN  ))
   (  segid "tbr1" and resid 23   and name HG2%)
      3.600     1.600     1.600 peak   241 spectrum    1 weight  0.11000E+01 volume  0.15084E-02 ppm1      9.116 ppm2      1.280 CV     1
 ASSI {  242}
   (( segid "tbr1" and resid 12   and name HN  ))
   (  segid "tbr1" and resid 25   and name HG1%)
      4.300     2.400     1.700 peak   242 spectrum    1 weight  0.11000E+01 volume  0.71769E-03 ppm1      9.115 ppm2      0.822 CV     1
 ASSI {  243}
   (( segid "tbr1" and resid 13   and name HN  ))
   (( segid "tbr1" and resid 13   and name HA  ))
      3.500     1.500     1.500 peak   243 spectrum    1 weight  0.11000E+01 volume  0.59612E-03 ppm1      9.484 ppm2      5.002 CV     1
 ASSI {  244}
   (( segid "tbr1" and resid 13   and name HN  ))
   (( segid "tbr1" and resid 14   and name HA  ))
      4.000     4.000     2.000 peak   244 spectrum    1 weight  0.11000E+01 volume  0.43636E-03 ppm1      9.483 ppm2      4.752 CV     1
 ASSI {  245}
   (( segid "tbr1" and resid 13   and name HN  ))
   (( segid "tbr1" and resid 13   and name HB1 ))
      2.900     2.900     3.100 peak   245 spectrum    1 weight  0.11000E+01 volume  0.15977E-02 ppm1      9.485 ppm2      2.852 CV     1
 ASSI {  246}
   (( segid "tbr1" and resid 13   and name HN  ))
   (( segid "tbr1" and resid 12   and name HB1 ))
      3.400     1.400     1.400 peak   246 spectrum    1 weight  0.11000E+01 volume  0.91112E-03 ppm1      9.484 ppm2      3.088 CV     1
 ASSI {  247}
   (( segid "tbr1" and resid 13   and name HN  ))
   (( segid "tbr1" and resid 81   and name HA  ))
      3.700     1.700     1.700 peak   247 spectrum    1 weight  0.11000E+01 volume  0.68845E-03 ppm1      9.486 ppm2      3.727 CV     1
 ASSI {  248}
   (( segid "tbr1" and resid 13   and name HN  ))
   (  segid "tbr1" and resid 13   and name HD% )
      4.000     2.000     2.000 peak   248 spectrum    1 weight  0.11000E+01 volume  0.90674E-03 ppm1      9.481 ppm2      7.357 CV     1
 ASSI {  251}
   (( segid "tbr1" and resid 13   and name HN  ))
   (( segid "tbr1" and resid 12   and name HN  ))
      4.300     2.300     1.700 peak   251 spectrum    1 weight  0.11000E+01 volume  0.41028E-03 ppm1      9.482 ppm2      9.097 CV     1
 ASSI {  252}
   (( segid "tbr1" and resid 14   and name HN  ))
   (  segid "tbr1" and resid 13   and name HD% )
      3.700     1.700     1.700 peak   252 spectrum    1 weight  0.11000E+01 volume  0.64182E-03 ppm1      7.819 ppm2      7.364 CV     1
 ASSI {  254}
   (( segid "tbr1" and resid 14   and name HN  ))
   (( segid "tbr1" and resid 23   and name HA  ))
      3.000     1.100     1.100 peak   254 spectrum    1 weight  0.11000E+01 volume  0.11984E-02 ppm1      7.816 ppm2      5.614 CV     1
 ASSI {  256}
   (( segid "tbr1" and resid 14   and name HN  ))
   (( segid "tbr1" and resid 23   and name HB  ))
      4.400     2.400     1.600 peak   256 spectrum    1 weight  0.11000E+01 volume  0.43782E-03 ppm1      7.818 ppm2      4.124 CV     1
 ASSI {  257}
   (( segid "tbr1" and resid 14   and name HN  ))
   (( segid "tbr1" and resid 14   and name HB2 ))
      4.000     2.000     2.000 peak   257 spectrum    1 weight  0.11000E+01 volume  0.86367E-03 ppm1      7.820 ppm2      3.399 CV     1
 ASSI {  258}
   (( segid "tbr1" and resid 14   and name HN  ))
   (( segid "tbr1" and resid 13   and name HB2 ))
      4.300     2.300     1.700 peak   258 spectrum    1 weight  0.11000E+01 volume  0.59026E-03 ppm1      7.821 ppm2      3.005 CV     1
 ASSI {  259}
   (( segid "tbr1" and resid 14   and name HN  ))
   (( segid "tbr1" and resid 14   and name HB1 ))
      3.200     1.300     1.300 peak   259 spectrum    1 weight  0.11000E+01 volume  0.80124E-03 ppm1      7.820 ppm2      2.186 CV     1
 ASSI {  263}
   (( segid "tbr1" and resid 15   and name HN  ))
   (( segid "tbr1" and resid 15   and name HB1 ))
      3.700     1.700     1.700 peak   263 spectrum    1 weight  0.11000E+01 volume  0.47789E-03 ppm1      8.391 ppm2      3.203 CV     1
 ASSI {  264}
   (( segid "tbr1" and resid 16   and name HN  ))
   (( segid "tbr1" and resid 15   and name HN  ))
      3.300     1.400     1.400 peak   264 spectrum    1 weight  0.11000E+01 volume  0.80315E-03 ppm1      7.982 ppm2      8.381 CV     1
 ASSI {  265}
   (( segid "tbr1" and resid 16   and name HN  ))
   (( segid "tbr1" and resid 16   and name HA  ))
      3.100     1.200     1.200 peak   265 spectrum    1 weight  0.11000E+01 volume  0.15192E-02 ppm1      7.982 ppm2      4.531 CV     1
 ASSI {  266}
   (( segid "tbr1" and resid 17   and name HN  ))
   (( segid "tbr1" and resid 15   and name HN  ))
      3.900     1.900     1.900 peak   266 spectrum    1 weight  0.11000E+01 volume  0.49212E-03 ppm1      7.732 ppm2      8.395 CV     1
 ASSI {  268}
   (( segid "tbr1" and resid 17   and name HN  ))
   (( segid "tbr1" and resid 16   and name HA  ))
      3.000     1.200     1.200 peak   268 spectrum    1 weight  0.11000E+01 volume  0.17731E-02 ppm1      7.731 ppm2      4.535 CV     1
 ASSI {  270}
   (( segid "tbr1" and resid 17   and name HN  ))
   (( segid "tbr1" and resid 15   and name HA  ))
      3.600     1.600     1.600 peak   270 spectrum    1 weight  0.11000E+01 volume  0.66225E-03 ppm1      7.731 ppm2      4.223 CV     1
 ASSI {  271}
   (( segid "tbr1" and resid 17   and name HN  ))
   (( segid "tbr1" and resid 14   and name HB2 ))
      3.600     1.700     1.700 peak   271 spectrum    1 weight  0.11000E+01 volume  0.61961E-03 ppm1      7.730 ppm2      3.391 CV     1
 ASSI {  272}
   (( segid "tbr1" and resid 17   and name HN  ))
   (( segid "tbr1" and resid 20   and name HB1 ))
      4.700     2.800     1.300 peak   272 spectrum    1 weight  0.11000E+01 volume  0.75550E-03 ppm1      7.729 ppm2      2.201 CV     1
 ASSI {  273}
   (( segid "tbr1" and resid 17   and name HN  ))
   (( segid "tbr1" and resid 16   and name HB2 ))
      3.300     1.300     1.300 peak   273 spectrum    1 weight  0.11000E+01 volume  0.13573E-02 ppm1      7.732 ppm2      1.685 CV     1
 ASSI {  274}
   (( segid "tbr1" and resid 17   and name HN  ))
   (  segid "tbr1" and resid 18   and name HG2%)
      3.900     1.900     1.900 peak   274 spectrum    1 weight  0.11000E+01 volume  0.54408E-03 ppm1      7.734 ppm2      1.292 CV     1
 ASSI {  275}
   (( segid "tbr1" and resid 17   and name HN  ))
   (  segid "tbr1" and resid 16   and name HD1%)
      3.200     1.300     1.300 peak   275 spectrum    1 weight  0.11000E+01 volume  0.60111E-03 ppm1      7.731 ppm2      0.897 CV     1
 OR {  275}
   (( segid "tbr1" and resid 17   and name HN  ))
   (  segid "tbr1" and resid 16   and name HD2%)
 ASSI {  276}
   (( segid "tbr1" and resid 16   and name HN  ))
   (  segid "tbr1" and resid 16   and name HD2%)
      3.600     1.600     1.600 peak   276 spectrum    1 weight  0.11000E+01 volume  0.10231E-02 ppm1      7.982 ppm2      0.904 CV     1
 ASSI {  277}
   (( segid "tbr1" and resid 16   and name HN  ))
   (( segid "tbr1" and resid 17   and name HB1 ))
      5.200     5.200     0.800 peak   277 spectrum    1 weight  0.11000E+01 volume  0.36610E-03 ppm1      7.981 ppm2      3.032 CV     1
 ASSI {  278}
   (( segid "tbr1" and resid 16   and name HN  ))
   (( segid "tbr1" and resid 15   and name HB1 ))
      3.600     1.600     1.600 peak   278 spectrum    1 weight  0.11000E+01 volume  0.59998E-03 ppm1      7.984 ppm2      3.218 CV     1
 ASSI {  279}
   (( segid "tbr1" and resid 16   and name HN  ))
   (( segid "tbr1" and resid 15   and name HB2 ))
      3.900     1.900     1.900 peak   279 spectrum    1 weight  0.11000E+01 volume  0.59612E-03 ppm1      7.980 ppm2      3.327 CV     1
 ASSI {  280}
   (( segid "tbr1" and resid 16   and name HN  ))
   (( segid "tbr1" and resid 15   and name HA  ))
      3.900     3.900     2.100 peak   280 spectrum    1 weight  0.11000E+01 volume  0.46610E-03 ppm1      7.983 ppm2      4.229 CV     1
 ASSI {  282}
   (( segid "tbr1" and resid 16   and name HN  ))
   (( segid "tbr1" and resid 16   and name HG  ))
      3.100     1.200     1.200 peak   282 spectrum    1 weight  0.11000E+01 volume  0.17877E-02 ppm1      7.982 ppm2      1.233 CV     1
 ASSI {  283}
   (( segid "tbr1" and resid 18   and name HN  ))
   (( segid "tbr1" and resid 18   and name HB  ))
      4.000     2.000     2.000 peak   283 spectrum    1 weight  0.11000E+01 volume  0.76959E-03 ppm1      8.000 ppm2      4.107 CV     1
 ASSI {  284}
   (( segid "tbr1" and resid 18   and name HN  ))
   (( segid "tbr1" and resid 18   and name HA  ))
      3.000     1.200     1.200 peak   284 spectrum    1 weight  0.11000E+01 volume  0.12854E-02 ppm1      8.001 ppm2      2.942 CV     1
 ASSI {  285}
   (( segid "tbr1" and resid 18   and name HN  ))
   (( segid "tbr1" and resid 20   and name HB2 ))
      4.400     2.400     1.600 peak   285 spectrum    1 weight  0.10000E+01 volume  0.44495E-03 ppm1      7.999 ppm2      3.044 CV     1
 ASSI {  289}
   (( segid "tbr1" and resid 20   and name HN  ))
   (( segid "tbr1" and resid 19   and name HA  ))
      3.100     1.200     1.200 peak   289 spectrum    1 weight  0.11000E+01 volume  0.15821E-02 ppm1      6.949 ppm2      4.217 CV     1
 ASSI {  291}
   (( segid "tbr1" and resid 20   and name HN  ))
   (( segid "tbr1" and resid 18   and name HA  ))
      4.000     2.000     2.000 peak   291 spectrum    1 weight  0.11000E+01 volume  0.44501E-03 ppm1      6.947 ppm2      2.937 CV     1
 ASSI {  292}
   (( segid "tbr1" and resid 20   and name HN  ))
   (( segid "tbr1" and resid 19   and name HB1 ))
      3.800     1.800     1.800 peak   292 spectrum    1 weight  0.11000E+01 volume  0.91410E-03 ppm1      6.950 ppm2      1.717 CV     1
 ASSI {  293}
   (( segid "tbr1" and resid 20   and name HN  ))
   (( segid "tbr1" and resid 19   and name HB2 ))
      3.400     1.500     1.500 peak   293 spectrum    1 weight  0.11000E+01 volume  0.99879E-03 ppm1      6.952 ppm2      1.822 CV     1
 ASSI {  294}
   (( segid "tbr1" and resid 20   and name HN  ))
   (( segid "tbr1" and resid 22   and name HN  ))
      3.400     1.400     1.400 peak   294 spectrum    1 weight  0.11000E+01 volume  0.76603E-03 ppm1      6.948 ppm2      7.589 CV     1
 ASSI {  295}
   (( segid "tbr1" and resid 20   and name HN  ))
   (( segid "tbr1" and resid 18   and name HN  ))
      4.100     4.100     1.900 peak   295 spectrum    1 weight  0.11000E+01 volume  0.32444E-03 ppm1      6.953 ppm2      8.022 CV     1
 ASSI {  296}
   (( segid "tbr1" and resid 20   and name HN  ))
   (( segid "tbr1" and resid 23   and name HN  ))
      4.100     2.100     1.900 peak   296 spectrum    1 weight  0.11000E+01 volume  0.42624E-03 ppm1      6.951 ppm2      7.215 CV     1
 ASSI {  297}
   (( segid "tbr1" and resid 20   and name HN  ))
   (( segid "tbr1" and resid 21   and name HN  ))
      3.000     1.100     1.100 peak   297 spectrum    1 weight  0.11000E+01 volume  0.18177E-02 ppm1      6.950 ppm2      8.265 CV     1
 ASSI {  299}
   (( segid "tbr1" and resid 21   and name HN  ))
   (( segid "tbr1" and resid 22   and name HN  ))
      3.100     1.200     1.200 peak   299 spectrum    1 weight  0.11000E+01 volume  0.13327E-02 ppm1      8.267 ppm2      7.589 CV     1
 ASSI {  301}
   (( segid "tbr1" and resid 21   and name HN  ))
   (( segid "tbr1" and resid 20   and name HA  ))
      3.000     1.100     1.100 peak   301 spectrum    1 weight  0.11000E+01 volume  0.17513E-02 ppm1      8.266 ppm2      4.960 CV     1
 ASSI {  303}
   (( segid "tbr1" and resid 21   and name HN  ))
   (( segid "tbr1" and resid 19   and name HA  ))
      3.400     1.400     1.400 peak   303 spectrum    1 weight  0.11000E+01 volume  0.88771E-03 ppm1      8.264 ppm2      4.215 CV     1
 ASSI {  304}
   (( segid "tbr1" and resid 21   and name HN  ))
   (( segid "tbr1" and resid 21   and name HB1 ))
      3.700     1.700     1.700 peak   304 spectrum    1 weight  0.11000E+01 volume  0.81989E-03 ppm1      8.266 ppm2      3.128 CV     1
 ASSI {  305}
   (( segid "tbr1" and resid 21   and name HN  ))
   (( segid "tbr1" and resid 20   and name HB2 ))
      4.300     2.300     1.700 peak   305 spectrum    1 weight  0.11000E+01 volume  0.47162E-03 ppm1      8.267 ppm2      3.020 CV     1
 ASSI {  306}
   (( segid "tbr1" and resid 21   and name HN  ))
   (( segid "tbr1" and resid 21   and name HB2 ))
      3.600     1.600     1.600 peak   306 spectrum    1 weight  0.11000E+01 volume  0.10355E-02 ppm1      8.266 ppm2      2.626 CV     1
 ASSI {  307}
   (( segid "tbr1" and resid 21   and name HN  ))
   (( segid "tbr1" and resid 20   and name HB1 ))
      4.500     2.600     1.500 peak   307 spectrum    1 weight  0.11000E+01 volume  0.32185E-03 ppm1      8.266 ppm2      2.209 CV     1
 ASSI {  308}
   (( segid "tbr1" and resid 22   and name HN  ))
   (( segid "tbr1" and resid 19   and name HE1 ))
      2.800     2.800     3.200 peak   308 spectrum    1 weight  0.11000E+01 volume  0.11386E-02 ppm1      7.591 ppm2      2.942 CV     1
 OR {  308}
   (( segid "tbr1" and resid 22   and name HN  ))
   (( segid "tbr1" and resid 19   and name HE2 ))
 ASSI {  309}
   (( segid "tbr1" and resid 22   and name HN  ))
   (( segid "tbr1" and resid 20   and name HB2 ))
      3.300     1.300     1.300 peak   309 spectrum    1 weight  0.11000E+01 volume  0.15619E-02 ppm1      7.591 ppm2      3.038 CV     1
 ASSI {  310}
   (( segid "tbr1" and resid 22   and name HN  ))
   (( segid "tbr1" and resid 22   and name HB1 ))
      3.500     1.500     1.500 peak   310 spectrum    1 weight  0.11000E+01 volume  0.14924E-02 ppm1      7.591 ppm2      3.150 CV     1
 OR {  310}
   (( segid "tbr1" and resid 22   and name HN  ))
   (( segid "tbr1" and resid 22   and name HB2 ))
 ASSI {  311}
   (( segid "tbr1" and resid 22   and name HN  ))
   (( segid "tbr1" and resid 21   and name HB2 ))
      4.700     2.800     1.300 peak   311 spectrum    1 weight  0.11000E+01 volume  0.30367E-03 ppm1      7.596 ppm2      2.646 CV     1
 ASSI {  312}
   (( segid "tbr1" and resid 22   and name HN  ))
   (( segid "tbr1" and resid 19   and name HA  ))
      3.800     1.800     1.800 peak   312 spectrum    1 weight  0.11000E+01 volume  0.45874E-03 ppm1      7.587 ppm2      4.213 CV     1
 ASSI {  315}
   (( segid "tbr1" and resid 22   and name HN  ))
   (( segid "tbr1" and resid 20   and name HA  ))
      4.200     2.200     1.800 peak   315 spectrum    1 weight  0.11000E+01 volume  0.46140E-03 ppm1      7.592 ppm2      4.981 CV     1
 ASSI {  321}
   (( segid "tbr1" and resid 22   and name HN  ))
   (( segid "tbr1" and resid 20   and name HB1 ))
      4.300     2.300     1.700 peak   321 spectrum    1 weight  0.11000E+01 volume  0.44716E-03 ppm1      7.591 ppm2      2.198 CV     1
 ASSI {  322}
   (( segid "tbr1" and resid 23   and name HN  ))
   (( segid "tbr1" and resid 23   and name HA  ))
      2.900     1.100     1.100 peak   322 spectrum    1 weight  0.11000E+01 volume  0.16858E-02 ppm1      7.213 ppm2      5.613 CV     1
 ASSI {  323}
   (( segid "tbr1" and resid 23   and name HN  ))
   (( segid "tbr1" and resid 20   and name HB1 ))
      3.200     1.200     1.200 peak   323 spectrum    1 weight  0.11000E+01 volume  0.14295E-02 ppm1      7.214 ppm2      2.204 CV     1
 ASSI {  324}
   (( segid "tbr1" and resid 23   and name HN  ))
   (  segid "tbr1" and resid 23   and name HG2%)
      3.200     1.200     1.200 peak   324 spectrum    1 weight  0.11000E+01 volume  0.13480E-02 ppm1      7.212 ppm2      1.287 CV     1
 ASSI {  325}
   (( segid "tbr1" and resid 23   and name HN  ))
   (( segid "tbr1" and resid 22   and name HB1 ))
      3.800     1.800     1.800 peak   325 spectrum    1 weight  0.11000E+01 volume  0.78697E-03 ppm1      7.213 ppm2      3.148 CV     1
 OR {  325}
   (( segid "tbr1" and resid 23   and name HN  ))
   (( segid "tbr1" and resid 22   and name HB2 ))
 ASSI {  326}
   (( segid "tbr1" and resid 23   and name HN  ))
   (( segid "tbr1" and resid 19   and name HA  ))
      3.300     3.300     2.700 peak   326 spectrum    1 weight  0.11000E+01 volume  0.46717E-03 ppm1      7.204 ppm2      4.227 CV     1
 ASSI {  327}
   (( segid "tbr1" and resid 23   and name HN  ))
   (( segid "tbr1" and resid 20   and name HA  ))
      4.200     4.200     1.800 peak   327 spectrum    1 weight  0.11000E+01 volume  0.49105E-03 ppm1      7.218 ppm2      4.995 CV     1
 ASSI {  328}
   (( segid "tbr1" and resid 23   and name HN  ))
   (( segid "tbr1" and resid 24   and name HA  ))
      3.500     1.500     1.500 peak   328 spectrum    1 weight  0.11000E+01 volume  0.88892E-03 ppm1      7.212 ppm2      4.872 CV     1
 ASSI {  331}
   (( segid "tbr1" and resid 23   and name HN  ))
   (( segid "tbr1" and resid 17   and name HN  ))
      3.400     3.400     2.600 peak   331 spectrum    1 weight  0.11000E+01 volume  0.40555E-03 ppm1      7.214 ppm2      7.712 CV     1
 ASSI {  332}
   (( segid "tbr1" and resid 23   and name HN  ))
   (( segid "tbr1" and resid 14   and name HN  ))
      4.900     3.000     1.100 peak   332 spectrum    1 weight  0.11000E+01 volume  0.37913E-03 ppm1      7.215 ppm2      7.804 CV     1
 ASSI {  334}
   (( segid "tbr1" and resid 24   and name HN  ))
   (( segid "tbr1" and resid 25   and name HN  ))
      4.100     2.100     1.900 peak   334 spectrum    1 weight  0.11000E+01 volume  0.57450E-03 ppm1      8.919 ppm2      8.509 CV     1
 ASSI {  335}
   (( segid "tbr1" and resid 24   and name HN  ))
   (( segid "tbr1" and resid 14   and name HN  ))
      4.200     2.200     1.800 peak   335 spectrum    1 weight  0.11000E+01 volume  0.45732E-03 ppm1      8.918 ppm2      7.823 CV     1
 ASSI {  336}
   (( segid "tbr1" and resid 24   and name HN  ))
   (( segid "tbr1" and resid 23   and name HN  ))
      3.900     1.900     1.900 peak   336 spectrum    1 weight  0.11000E+01 volume  0.64981E-03 ppm1      8.924 ppm2      7.214 CV     1
 ASSI {  339}
   (( segid "tbr1" and resid 24   and name HN  ))
   (( segid "tbr1" and resid 13   and name HA  ))
      3.700     1.700     1.700 peak   339 spectrum    1 weight  0.11000E+01 volume  0.93193E-03 ppm1      8.923 ppm2      5.024 CV     1
 ASSI {  340}
   (( segid "tbr1" and resid 24   and name HN  ))
   (( segid "tbr1" and resid 24   and name HA  ))
      2.900     1.000     1.000 peak   340 spectrum    1 weight  0.11000E+01 volume  0.19264E-02 ppm1      8.922 ppm2      4.892 CV     1
 ASSI {  342}
   (( segid "tbr1" and resid 24   and name HN  ))
   (( segid "tbr1" and resid 24   and name HB2 ))
      3.900     1.900     1.900 peak   342 spectrum    1 weight  0.11000E+01 volume  0.67075E-03 ppm1      8.921 ppm2      3.531 CV     1
 ASSI {  343}
   (( segid "tbr1" and resid 24   and name HN  ))
   (( segid "tbr1" and resid 24   and name HB1 ))
      3.100     1.200     1.200 peak   343 spectrum    1 weight  0.11000E+01 volume  0.12126E-02 ppm1      8.922 ppm2      3.394 CV     1
 ASSI {  344}
   (( segid "tbr1" and resid 24   and name HN  ))
   (( segid "tbr1" and resid 20   and name HB2 ))
      3.800     3.800     2.200 peak   344 spectrum    1 weight  0.11000E+01 volume  0.70291E-03 ppm1      8.923 ppm2      3.034 CV     1
 ASSI {  345}
   (( segid "tbr1" and resid 24   and name HN  ))
   (( segid "tbr1" and resid 20   and name HB1 ))
      3.700     1.700     1.700 peak   345 spectrum    1 weight  0.11000E+01 volume  0.56105E-03 ppm1      8.924 ppm2      2.193 CV     1
 ASSI {  346}
   (( segid "tbr1" and resid 24   and name HN  ))
   (  segid "tbr1" and resid 25   and name HG2%)
      4.700     2.700     1.300 peak   346 spectrum    1 weight  0.11000E+01 volume  0.41713E-03 ppm1      8.921 ppm2      0.811 CV     1
 OR {  346}
   (( segid "tbr1" and resid 24   and name HN  ))
   (  segid "tbr1" and resid 25   and name HG1%)
 ASSI {  347}
   (( segid "tbr1" and resid 25   and name HN  ))
   (( segid "tbr1" and resid 25   and name HA  ))
      3.000     1.100     1.100 peak   347 spectrum    1 weight  0.11000E+01 volume  0.15708E-02 ppm1      8.498 ppm2      5.260 CV     1
 ASSI {  349}
   (( segid "tbr1" and resid 25   and name HN  ))
   (( segid "tbr1" and resid 26   and name HN  ))
      4.400     2.400     1.600 peak   349 spectrum    1 weight  0.11000E+01 volume  0.52047E-03 ppm1      8.509 ppm2      9.239 CV     1
 ASSI {  350}
   (( segid "tbr1" and resid 25   and name HN  ))
   (( segid "tbr1" and resid 26   and name HA  ))
      3.500     3.500     2.500 peak   350 spectrum    1 weight  0.11000E+01 volume  0.11132E-02 ppm1      8.496 ppm2      4.802 CV     1
 ASSI {  352}
   (( segid "tbr1" and resid 25   and name HN  ))
   (  segid "tbr1" and resid 23   and name HG2%)
      3.400     1.400     1.400 peak   352 spectrum    1 weight  0.11000E+01 volume  0.40129E-03 ppm1      8.496 ppm2      1.285 CV     1
 ASSI {  353}
   (( segid "tbr1" and resid 26   and name HN  ))
   (( segid "tbr1" and resid 27   and name HN  ))
      4.200     4.200     1.800 peak   353 spectrum    1 weight  0.11000E+01 volume  0.38865E-03 ppm1      9.260 ppm2      8.125 CV     1
 ASSI {  356}
   (( segid "tbr1" and resid 26   and name HN  ))
   (( segid "tbr1" and resid 12   and name HN  ))
      3.900     3.900     2.100 peak   356 spectrum    1 weight  0.11000E+01 volume  0.77669E-03 ppm1      9.258 ppm2      9.145 CV     1
 ASSI {  359}
   (( segid "tbr1" and resid 26   and name HN  ))
   (( segid "tbr1" and resid 11   and name HA  ))
      3.300     1.400     1.400 peak   359 spectrum    1 weight  0.11000E+01 volume  0.14424E-02 ppm1      9.261 ppm2      5.054 CV     1
 ASSI {  360}
   (( segid "tbr1" and resid 26   and name HN  ))
   (( segid "tbr1" and resid 26   and name HA  ))
      2.900     1.100     1.100 peak   360 spectrum    1 weight  0.11000E+01 volume  0.16515E-02 ppm1      9.260 ppm2      4.848 CV     1
 ASSI {  361}
   (( segid "tbr1" and resid 26   and name HN  ))
   (( segid "tbr1" and resid 9    and name HA  ))
      3.500     1.500     1.500 peak   361 spectrum    1 weight  0.11000E+01 volume  0.78227E-03 ppm1      9.260 ppm2      4.364 CV     1
 ASSI {  362}
   (( segid "tbr1" and resid 26   and name HN  ))
   (( segid "tbr1" and resid 26   and name HB  ))
      3.400     1.400     1.400 peak   362 spectrum    1 weight  0.11000E+01 volume  0.11785E-02 ppm1      9.259 ppm2      3.663 CV     1
 ASSI {  363}
   (( segid "tbr1" and resid 26   and name HN  ))
   (( segid "tbr1" and resid 47   and name HB2 ))
      4.400     2.500     1.600 peak   363 spectrum    1 weight  0.11000E+01 volume  0.29696E-03 ppm1      9.268 ppm2      2.707 CV     1
 ASSI {  364}
   (( segid "tbr1" and resid 26   and name HN  ))
   (( segid "tbr1" and resid 25   and name HB  ))
      3.900     1.900     1.900 peak   364 spectrum    1 weight  0.11000E+01 volume  0.12364E-02 ppm1      9.261 ppm2      1.793 CV     1
 ASSI {  365}
   (( segid "tbr1" and resid 26   and name HN  ))
   (( segid "tbr1" and resid 10   and name HB2 ))
      3.700     1.700     1.700 peak   365 spectrum    1 weight  0.11000E+01 volume  0.74072E-03 ppm1      9.259 ppm2      1.566 CV     1
 ASSI {  366}
   (( segid "tbr1" and resid 26   and name HN  ))
   (  segid "tbr1" and resid 9    and name HB% )
      2.800     2.800     3.200 peak   366 spectrum    1 weight  0.11000E+01 volume  0.12612E-02 ppm1      9.263 ppm2      1.241 CV     1
 ASSI {  367}
   (( segid "tbr1" and resid 27   and name HN  ))
   (  segid "tbr1" and resid 26   and name HG2%)
      3.500     1.600     1.600 peak   367 spectrum    1 weight  0.11000E+01 volume  0.14722E-02 ppm1      8.098 ppm2      0.872 CV     1
 ASSI {  368}
   (( segid "tbr1" and resid 27   and name HN  ))
   (  segid "tbr1" and resid 25   and name HG2%)
      3.400     3.400     2.600 peak   368 spectrum    1 weight  0.11000E+01 volume  0.36669E-03 ppm1      8.100 ppm2      0.756 CV     1
 ASSI {  369}
   (( segid "tbr1" and resid 27   and name HN  ))
   (( segid "tbr1" and resid 51   and name HG12))
      4.900     3.000     1.100 peak   369 spectrum    1 weight  0.11000E+01 volume  0.35798E-03 ppm1      8.094 ppm2      1.201 CV     1
 ASSI {  370}
   (( segid "tbr1" and resid 27   and name HN  ))
   (  segid "tbr1" and resid 49   and name HB% )
      3.800     1.800     1.800 peak   370 spectrum    1 weight  0.11000E+01 volume  0.45592E-03 ppm1      8.096 ppm2      1.502 CV     1
 ASSI {  371}
   (( segid "tbr1" and resid 27   and name HN  ))
   (( segid "tbr1" and resid 27   and name HB1 ))
      3.200     1.300     1.300 peak   371 spectrum    1 weight  0.11000E+01 volume  0.13239E-02 ppm1      8.096 ppm2      2.624 CV     1
 ASSI {  372}
   (( segid "tbr1" and resid 27   and name HN  ))
   (( segid "tbr1" and resid 27   and name HB2 ))
      3.100     1.200     1.200 peak   372 spectrum    1 weight  0.11000E+01 volume  0.11038E-02 ppm1      8.093 ppm2      3.043 CV     1
 ASSI {  373}
   (( segid "tbr1" and resid 27   and name HN  ))
   (( segid "tbr1" and resid 26   and name HB  ))
      3.600     1.600     1.600 peak   373 spectrum    1 weight  0.11000E+01 volume  0.10521E-02 ppm1      8.096 ppm2      3.662 CV     1
 ASSI {  374}
   (( segid "tbr1" and resid 27   and name HN  ))
   (( segid "tbr1" and resid 49   and name HA  ))
      2.800     1.000     1.000 peak   374 spectrum    1 weight  0.11000E+01 volume  0.13418E-02 ppm1      8.095 ppm2      4.210 CV     1
 ASSI {  375}
   (( segid "tbr1" and resid 27   and name HN  ))
   (( segid "tbr1" and resid 50   and name HN  ))
      3.700     1.700     1.700 peak   375 spectrum    1 weight  0.11000E+01 volume  0.56471E-03 ppm1      8.092 ppm2      8.622 CV     1
 ASSI {  376}
   (( segid "tbr1" and resid 27   and name HN  ))
   (( segid "tbr1" and resid 50   and name HB1 ))
      4.700     2.800     1.300 peak   376 spectrum    1 weight  0.10000E+01 volume  0.36317E-03 ppm1      8.104 ppm2      1.802 CV     1
 OR {  376}
   (( segid "tbr1" and resid 27   and name HN  ))
   (( segid "tbr1" and resid 50   and name HB2 ))
 ASSI {  377}
   (( segid "tbr1" and resid 28   and name HN  ))
   (( segid "tbr1" and resid 29   and name HN  ))
      3.100     1.200     1.200 peak   377 spectrum    1 weight  0.11000E+01 volume  0.11339E-02 ppm1      8.345 ppm2      8.798 CV     1
 ASSI {  380}
   (( segid "tbr1" and resid 28   and name HN  ))
   (( segid "tbr1" and resid 50   and name HA  ))
      4.000     2.000     2.000 peak   380 spectrum    1 weight  0.11000E+01 volume  0.68686E-03 ppm1      8.345 ppm2      3.667 CV     1
 ASSI {  381}
   (( segid "tbr1" and resid 28   and name HN  ))
   (( segid "tbr1" and resid 27   and name HB1 ))
      4.000     2.000     2.000 peak   381 spectrum    1 weight  0.11000E+01 volume  0.45067E-03 ppm1      8.347 ppm2      2.626 CV     1
 ASSI {  383}
   (( segid "tbr1" and resid 28   and name HN  ))
   (( segid "tbr1" and resid 29   and name HG  ))
      4.400     2.400     1.600 peak   383 spectrum    1 weight  0.11000E+01 volume  0.40915E-03 ppm1      8.343 ppm2      1.519 CV     1
 ASSI {  384}
   (( segid "tbr1" and resid 29   and name HN  ))
   (( segid "tbr1" and resid 30   and name HN  ))
      3.400     1.500     1.500 peak   384 spectrum    1 weight  0.11000E+01 volume  0.14610E-02 ppm1      8.796 ppm2      8.344 CV     1
 ASSI {  385}
   (( segid "tbr1" and resid 29   and name HN  ))
   (( segid "tbr1" and resid 27   and name HN  ))
      4.900     3.000     1.100 peak   385 spectrum    1 weight  0.11000E+01 volume  0.40662E-03 ppm1      8.791 ppm2      8.089 CV     1
 ASSI {  386}
   (( segid "tbr1" and resid 29   and name HN  ))
   (( segid "tbr1" and resid 78   and name HD21))
      4.400     2.500     1.600 peak   386 spectrum    1 weight  0.11000E+01 volume  0.28765E-03 ppm1      8.791 ppm2      6.718 CV     1
 ASSI {  389}
   (( segid "tbr1" and resid 29   and name HN  ))
   (( segid "tbr1" and resid 29   and name HA  ))
      3.100     1.200     1.200 peak   389 spectrum    1 weight  0.11000E+01 volume  0.11698E-02 ppm1      8.796 ppm2      4.678 CV     1
 ASSI {  390}
   (( segid "tbr1" and resid 29   and name HN  ))
   (( segid "tbr1" and resid 50   and name HA  ))
      4.600     2.700     1.400 peak   390 spectrum    1 weight  0.11000E+01 volume  0.52619E-03 ppm1      8.795 ppm2      3.675 CV     1
 ASSI {  391}
   (( segid "tbr1" and resid 29   and name HN  ))
   (( segid "tbr1" and resid 48   and name HA  ))
      3.600     1.600     1.600 peak   391 spectrum    1 weight  0.11000E+01 volume  0.97811E-03 ppm1      8.795 ppm2      4.246 CV     1
 ASSI {  392}
   (( segid "tbr1" and resid 29   and name HN  ))
   (( segid "tbr1" and resid 29   and name HB2 ))
      3.300     1.400     1.400 peak   392 spectrum    1 weight  0.11000E+01 volume  0.14106E-02 ppm1      8.795 ppm2      1.414 CV     1
 ASSI {  393}
   (( segid "tbr1" and resid 29   and name HN  ))
   (( segid "tbr1" and resid 29   and name HG  ))
      2.900     1.100     1.100 peak   393 spectrum    1 weight  0.11000E+01 volume  0.15946E-02 ppm1      8.796 ppm2      1.520 CV     1
 ASSI {  394}
   (( segid "tbr1" and resid 29   and name HN  ))
   (( segid "tbr1" and resid 50   and name HB1 ))
      4.800     4.800     1.200 peak   394 spectrum    1 weight  0.11000E+01 volume  0.49458E-03 ppm1      8.797 ppm2      1.828 CV     1
 OR {  394}
   (( segid "tbr1" and resid 29   and name HN  ))
   (( segid "tbr1" and resid 50   and name HB2 ))
 ASSI {  396}
   (( segid "tbr1" and resid 29   and name HN  ))
   (  segid "tbr1" and resid 53   and name HD1%)
      3.800     1.800     1.800 peak   396 spectrum    1 weight  0.11000E+01 volume  0.69498E-03 ppm1      8.800 ppm2      0.602 CV     1
 ASSI {  397}
   (( segid "tbr1" and resid 30   and name HN  ))
   (( segid "tbr1" and resid 78   and name HA  ))
      3.700     1.700     1.700 peak   397 spectrum    1 weight  0.11000E+01 volume  0.61628E-03 ppm1      8.353 ppm2      5.004 CV     1
 ASSI {  398}
   (( segid "tbr1" and resid 30   and name HN  ))
   (( segid "tbr1" and resid 30   and name HA  ))
      3.200     1.300     1.300 peak   398 spectrum    1 weight  0.11000E+01 volume  0.94550E-03 ppm1      8.353 ppm2      5.356 CV     1
 ASSI {  403}
   (( segid "tbr1" and resid 30   and name HN  ))
   (( segid "tbr1" and resid 29   and name HB2 ))
      2.600     0.900     0.900 peak   403 spectrum    1 weight  0.11000E+01 volume  0.19447E-02 ppm1      8.356 ppm2      1.411 CV     1
 ASSI {  405}
   (( segid "tbr1" and resid 31   and name HN  ))
   (( segid "tbr1" and resid 47   and name HA  ))
      3.600     1.600     1.600 peak   405 spectrum    1 weight  0.11000E+01 volume  0.78234E-03 ppm1      8.747 ppm2      4.927 CV     1
 ASSI {  406}
   (( segid "tbr1" and resid 31   and name HN  ))
   (( segid "tbr1" and resid 31   and name HA  ))
      3.200     1.300     1.300 peak   406 spectrum    1 weight  0.11000E+01 volume  0.10866E-02 ppm1      8.751 ppm2      5.578 CV     1
 ASSI {  407}
   (( segid "tbr1" and resid 31   and name HN  ))
   (( segid "tbr1" and resid 45   and name HA  ))
      4.300     2.400     1.700 peak   407 spectrum    1 weight  0.11000E+01 volume  0.34234E-03 ppm1      8.750 ppm2      5.734 CV     1
 ASSI {  408}
   (( segid "tbr1" and resid 31   and name HN  ))
   (  segid "tbr1" and resid 31   and name HD% )
      4.300     2.400     1.700 peak   408 spectrum    1 weight  0.11000E+01 volume  0.45652E-03 ppm1      8.751 ppm2      7.065 CV     1
 ASSI {  409}
   (( segid "tbr1" and resid 31   and name HN  ))
   (( segid "tbr1" and resid 32   and name HB  ))
      4.300     2.300     1.700 peak   409 spectrum    1 weight  0.11000E+01 volume  0.48659E-03 ppm1      8.742 ppm2      2.306 CV     1
 ASSI {  411}
   (( segid "tbr1" and resid 31   and name HN  ))
   (  segid "tbr1" and resid 32   and name HG1%)
      4.500     2.600     1.500 peak   411 spectrum    1 weight  0.11000E+01 volume  0.35012E-03 ppm1      8.755 ppm2      0.959 CV     1
 ASSI {  412}
   (( segid "tbr1" and resid 31   and name HN  ))
   (  segid "tbr1" and resid 48   and name HD1%)
      4.800     2.900     1.200 peak   412 spectrum    1 weight  0.11000E+01 volume  0.30648E-03 ppm1      8.753 ppm2      0.443 CV     1
 ASSI {  413}
   (( segid "tbr1" and resid 31   and name HN  ))
   (( segid "tbr1" and resid 30   and name HB2 ))
      3.900     1.900     1.900 peak   413 spectrum    1 weight  0.11000E+01 volume  0.92190E-03 ppm1      8.748 ppm2      3.019 CV     1
 ASSI {  414}
   (( segid "tbr1" and resid 31   and name HN  ))
   (( segid "tbr1" and resid 31   and name HB2 ))
      3.300     1.300     1.300 peak   414 spectrum    1 weight  0.11000E+01 volume  0.19600E-02 ppm1      8.748 ppm2      2.926 CV     1
 ASSI {  416}
   (( segid "tbr1" and resid 31   and name HN  ))
   (( segid "tbr1" and resid 30   and name HN  ))
      4.500     2.500     1.500 peak   416 spectrum    1 weight  0.11000E+01 volume  0.37801E-03 ppm1      8.756 ppm2      8.363 CV     1
 ASSI {  418}
   (( segid "tbr1" and resid 31   and name HN  ))
   (( segid "tbr1" and resid 32   and name HN  ))
      3.800     1.800     1.800 peak   418 spectrum    1 weight  0.11000E+01 volume  0.92539E-03 ppm1      8.746 ppm2      8.572 CV     1
 ASSI {  420}
   (( segid "tbr1" and resid 32   and name HN  ))
   (  segid "tbr1" and resid 32   and name HG1%)
      4.000     2.000     2.000 peak   420 spectrum    1 weight  0.11000E+01 volume  0.86449E-03 ppm1      8.581 ppm2      0.965 CV     1
 ASSI {  421}
   (( segid "tbr1" and resid 32   and name HN  ))
   (( segid "tbr1" and resid 32   and name HB  ))
      3.300     1.400     1.400 peak   421 spectrum    1 weight  0.11000E+01 volume  0.92165E-03 ppm1      8.580 ppm2      2.303 CV     1
 ASSI {  422}
   (( segid "tbr1" and resid 32   and name HN  ))
   (( segid "tbr1" and resid 31   and name HB1 ))
      3.900     1.900     1.900 peak   422 spectrum    1 weight  0.11000E+01 volume  0.10782E-02 ppm1      8.583 ppm2      2.836 CV     1
 ASSI {  423}
   (( segid "tbr1" and resid 32   and name HN  ))
   (( segid "tbr1" and resid 31   and name HB2 ))
      4.100     2.100     1.900 peak   423 spectrum    1 weight  0.11000E+01 volume  0.75106E-03 ppm1      8.580 ppm2      2.921 CV     1
 ASSI {  425}
   (( segid "tbr1" and resid 32   and name HN  ))
   (( segid "tbr1" and resid 74   and name HA  ))
      4.500     2.600     1.500 peak   425 spectrum    1 weight  0.11000E+01 volume  0.28727E-03 ppm1      8.582 ppm2      4.663 CV     1
 ASSI {  426}
   (( segid "tbr1" and resid 32   and name HN  ))
   (( segid "tbr1" and resid 32   and name HA  ))
      3.000     1.100     1.100 peak   426 spectrum    1 weight  0.11000E+01 volume  0.13266E-02 ppm1      8.582 ppm2      5.355 CV     1
 ASSI {  427}
   (( segid "tbr1" and resid 32   and name HN  ))
   (  segid "tbr1" and resid 31   and name HD% )
      3.500     1.500     1.500 peak   427 spectrum    1 weight  0.11000E+01 volume  0.82497E-03 ppm1      8.581 ppm2      7.069 CV     1
 ASSI {  429}
   (( segid "tbr1" and resid 32   and name HN  ))
   (( segid "tbr1" and resid 77   and name HN  ))
      4.800     2.800     1.200 peak   429 spectrum    1 weight  0.11000E+01 volume  0.38450E-03 ppm1      8.585 ppm2      9.080 CV     1
 ASSI {  431}
   (( segid "tbr1" and resid 33   and name HN  ))
   (  segid "tbr1" and resid 31   and name HD% )
      4.000     2.000     2.000 peak   431 spectrum    1 weight  0.11000E+01 volume  0.47469E-03 ppm1      8.775 ppm2      7.066 CV     1
 ASSI {  432}
   (( segid "tbr1" and resid 33   and name HN  ))
   (( segid "tbr1" and resid 45   and name HA  ))
      3.600     1.600     1.600 peak   432 spectrum    1 weight  0.11000E+01 volume  0.89488E-03 ppm1      8.774 ppm2      5.715 CV     1
 ASSI {  434}
   (( segid "tbr1" and resid 33   and name HN  ))
   (( segid "tbr1" and resid 32   and name HB  ))
      3.900     1.900     1.900 peak   434 spectrum    1 weight  0.11000E+01 volume  0.74795E-03 ppm1      8.773 ppm2      2.301 CV     1
 ASSI {  435}
   (( segid "tbr1" and resid 33   and name HN  ))
   (( segid "tbr1" and resid 44   and name HB2 ))
      3.700     1.700     1.700 peak   435 spectrum    1 weight  0.10000E+01 volume  0.54629E-03 ppm1      8.767 ppm2      2.993 CV     1
 ASSI {  436}
   (( segid "tbr1" and resid 33   and name HN  ))
   (( segid "tbr1" and resid 74   and name HA  ))
      4.300     2.300     1.700 peak   436 spectrum    1 weight  0.11000E+01 volume  0.35359E-03 ppm1      8.782 ppm2      4.658 CV     1
 ASSI {  437}
   (( segid "tbr1" and resid 33   and name HN  ))
   (  segid "tbr1" and resid 32   and name HG2%)
      4.700     2.700     1.300 peak   437 spectrum    1 weight  0.11000E+01 volume  0.57010E-03 ppm1      8.776 ppm2      0.796 CV     1
 ASSI {  438}
   (( segid "tbr1" and resid 33   and name HN  ))
   (  segid "tbr1" and resid 74   and name HG2%)
      4.500     4.500     1.500 peak   438 spectrum    1 weight  0.11000E+01 volume  0.32298E-03 ppm1      8.772 ppm2      1.072 CV     1
 ASSI {  439}
   (( segid "tbr1" and resid 33   and name HN  ))
   (( segid "tbr1" and resid 32   and name HN  ))
      3.900     1.900     1.900 peak   439 spectrum    1 weight  0.11000E+01 volume  0.71744E-03 ppm1      8.771 ppm2      8.589 CV     1
 ASSI {  440}
   (( segid "tbr1" and resid 34   and name HN  ))
   (( segid "tbr1" and resid 35   and name HN  ))
      3.900     1.900     1.900 peak   440 spectrum    1 weight  0.11000E+01 volume  0.62253E-03 ppm1      8.674 ppm2      8.934 CV     1
 ASSI {  441}
   (( segid "tbr1" and resid 34   and name HN  ))
   (( segid "tbr1" and resid 75   and name HN  ))
      4.000     2.000     2.000 peak   441 spectrum    1 weight  0.11000E+01 volume  0.10166E-02 ppm1      8.675 ppm2      8.595 CV     1
 ASSI {  442}
   (( segid "tbr1" and resid 34   and name HN  ))
   (( segid "tbr1" and resid 72   and name HA  ))
      3.800     1.800     1.800 peak   442 spectrum    1 weight  0.11000E+01 volume  0.73355E-03 ppm1      8.676 ppm2      5.166 CV     1
 ASSI {  443}
   (( segid "tbr1" and resid 34   and name HN  ))
   (( segid "tbr1" and resid 35   and name HA  ))
      4.000     2.000     2.000 peak   443 spectrum    1 weight  0.11000E+01 volume  0.39624E-03 ppm1      8.676 ppm2      5.073 CV     1
 ASSI {  444}
   (( segid "tbr1" and resid 34   and name HN  ))
   (( segid "tbr1" and resid 74   and name HA  ))
      3.700     1.700     1.700 peak   444 spectrum    1 weight  0.11000E+01 volume  0.82985E-03 ppm1      8.677 ppm2      4.669 CV     1
 ASSI {  445}
   (( segid "tbr1" and resid 34   and name HN  ))
   (( segid "tbr1" and resid 73   and name HB  ))
      3.600     1.700     1.700 peak   445 spectrum    1 weight  0.11000E+01 volume  0.94170E-03 ppm1      8.681 ppm2      3.982 CV     1
 ASSI {  446}
   (( segid "tbr1" and resid 34   and name HN  ))
   (( segid "tbr1" and resid 33   and name HB2 ))
      3.500     1.600     1.600 peak   446 spectrum    1 weight  0.11000E+01 volume  0.17867E-02 ppm1      8.679 ppm2      3.776 CV     1
 ASSI {  447}
   (( segid "tbr1" and resid 34   and name HN  ))
   (( segid "tbr1" and resid 33   and name HB1 ))
      4.400     2.400     1.600 peak   447 spectrum    1 weight  0.11000E+01 volume  0.89380E-03 ppm1      8.679 ppm2      3.704 CV     1
 ASSI {  450}
   (( segid "tbr1" and resid 34   and name HN  ))
   (  segid "tbr1" and resid 72   and name HG2%)
      3.300     1.400     1.400 peak   450 spectrum    1 weight  0.11000E+01 volume  0.11849E-02 ppm1      8.678 ppm2      1.131 CV     1
 ASSI {  451}
   (( segid "tbr1" and resid 34   and name HN  ))
   (  segid "tbr1" and resid 34   and name HG2%)
      3.100     1.200     1.200 peak   451 spectrum    1 weight  0.11000E+01 volume  0.17663E-02 ppm1      8.678 ppm2      0.685 CV     1
 OR {  451}
   (( segid "tbr1" and resid 34   and name HN  ))
   (  segid "tbr1" and resid 34   and name HG1%)
 ASSI {  452}
   (( segid "tbr1" and resid 34   and name HN  ))
   (  segid "tbr1" and resid 32   and name HG1%)
      4.000     2.000     2.000 peak   452 spectrum    1 weight  0.11000E+01 volume  0.43929E-03 ppm1      8.675 ppm2      0.941 CV     1
 ASSI {  453}
   (( segid "tbr1" and resid 34   and name HN  ))
   (  segid "tbr1" and resid 74   and name HG2%)
      4.800     2.800     1.200 peak   453 spectrum    1 weight  0.11000E+01 volume  0.31992E-03 ppm1      8.668 ppm2      1.036 CV     1
 ASSI {  454}
   (( segid "tbr1" and resid 35   and name HN  ))
   (  segid "tbr1" and resid 42   and name HG2%)
      3.900     1.900     1.900 peak   454 spectrum    1 weight  0.11000E+01 volume  0.60830E-03 ppm1      8.927 ppm2      0.824 CV     1
 OR {  454}
   (( segid "tbr1" and resid 35   and name HN  ))
   (  segid "tbr1" and resid 42   and name HD1%)
 ASSI {  455}
   (( segid "tbr1" and resid 35   and name HN  ))
   (  segid "tbr1" and resid 41   and name HG2%)
      4.200     4.200     1.800 peak   455 spectrum    1 weight  0.11000E+01 volume  0.48001E-03 ppm1      8.928 ppm2      0.928 CV     1
 ASSI {  456}
   (( segid "tbr1" and resid 35   and name HN  ))
   (  segid "tbr1" and resid 35   and name HG2%)
      4.000     2.000     2.000 peak   456 spectrum    1 weight  0.11000E+01 volume  0.10024E-02 ppm1      8.926 ppm2      1.102 CV     1
 ASSI {  457}
   (( segid "tbr1" and resid 35   and name HN  ))
   (( segid "tbr1" and resid 42   and name HB  ))
      3.200     1.300     1.300 peak   457 spectrum    1 weight  0.11000E+01 volume  0.11663E-02 ppm1      8.931 ppm2      1.693 CV     1
 ASSI {  458}
   (( segid "tbr1" and resid 35   and name HN  ))
   (( segid "tbr1" and resid 34   and name HB  ))
      3.900     1.900     1.900 peak   458 spectrum    1 weight  0.11000E+01 volume  0.87636E-03 ppm1      8.926 ppm2      1.888 CV     1
 ASSI {  459}
   (( segid "tbr1" and resid 35   and name HN  ))
   (( segid "tbr1" and resid 36   and name HG1 ))
      4.100     2.100     1.900 peak   459 spectrum    1 weight  0.11000E+01 volume  0.27474E-03 ppm1      8.922 ppm2      2.188 CV     1
 ASSI {  460}
   (( segid "tbr1" and resid 35   and name HN  ))
   (( segid "tbr1" and resid 41   and name HA  ))
      4.200     2.200     1.800 peak   460 spectrum    1 weight  0.11000E+01 volume  0.60803E-03 ppm1      8.933 ppm2      4.674 CV     1
 ASSI {  461}
   (( segid "tbr1" and resid 35   and name HN  ))
   (( segid "tbr1" and resid 34   and name HA  ))
      3.200     1.300     1.300 peak   461 spectrum    1 weight  0.11000E+01 volume  0.78107E-03 ppm1      8.927 ppm2      4.778 CV     1
 ASSI {  462}
   (( segid "tbr1" and resid 35   and name HN  ))
   (( segid "tbr1" and resid 35   and name HA  ))
      3.000     1.100     1.100 peak   462 spectrum    1 weight  0.11000E+01 volume  0.15253E-02 ppm1      8.928 ppm2      5.059 CV     1
 ASSI {  463}
   (( segid "tbr1" and resid 35   and name HN  ))
   (( segid "tbr1" and resid 43   and name HA  ))
      3.500     1.500     1.500 peak   463 spectrum    1 weight  0.11000E+01 volume  0.92736E-03 ppm1      8.933 ppm2      5.313 CV     1
 ASSI {  468}
   (( segid "tbr1" and resid 36   and name HN  ))
   (( segid "tbr1" and resid 35   and name HB  ))
      3.900     1.900     1.900 peak   468 spectrum    1 weight  0.11000E+01 volume  0.73679E-03 ppm1      8.996 ppm2      3.899 CV     1
 ASSI {  469}
   (( segid "tbr1" and resid 36   and name HN  ))
   (( segid "tbr1" and resid 72   and name HA  ))
      3.800     1.800     1.800 peak   469 spectrum    1 weight  0.11000E+01 volume  0.11932E-02 ppm1      8.995 ppm2      5.165 CV     1
 ASSI {  471}
   (( segid "tbr1" and resid 36   and name HN  ))
   (  segid "tbr1" and resid 71   and name HG1%)
      3.900     1.900     1.900 peak   471 spectrum    1 weight  0.11000E+01 volume  0.70589E-03 ppm1      8.993 ppm2      0.957 CV     1
 OR {  471}
   (( segid "tbr1" and resid 36   and name HN  ))
   (  segid "tbr1" and resid 71   and name HG2%)
 ASSI {  472}
   (( segid "tbr1" and resid 36   and name HN  ))
   (  segid "tbr1" and resid 41   and name HG1%)
      4.700     2.800     1.300 peak   472 spectrum    1 weight  0.11000E+01 volume  0.38014E-03 ppm1      8.991 ppm2      0.714 CV     1
 ASSI {  473}
   (( segid "tbr1" and resid 36   and name HN  ))
   (( segid "tbr1" and resid 36   and name HB1 ))
      3.600     1.600     1.600 peak   473 spectrum    1 weight  0.11000E+01 volume  0.17622E-02 ppm1      8.994 ppm2      2.068 CV     1
 ASSI {  475}
   (( segid "tbr1" and resid 39   and name HN  ))
   (( segid "tbr1" and resid 38   and name HA  ))
      3.300     1.400     1.400 peak   475 spectrum    1 weight  0.11000E+01 volume  0.10692E-02 ppm1      8.226 ppm2      3.976 CV     1
 ASSI {  476}
   (( segid "tbr1" and resid 66   and name HN  ))
   (( segid "tbr1" and resid 65   and name HB1 ))
      3.600     1.700     1.700 peak   476 spectrum    1 weight  0.11000E+01 volume  0.90389E-03 ppm1      8.230 ppm2      4.199 CV     1
 OR {  476}
   (( segid "tbr1" and resid 66   and name HN  ))
   (( segid "tbr1" and resid 65   and name HB2 ))
 ASSI {  477}
   (( segid "tbr1" and resid 66   and name HN  ))
   (( segid "tbr1" and resid 65   and name HA  ))
      3.300     3.300     2.700 peak   477 spectrum    1 weight  0.11000E+01 volume  0.99404E-03 ppm1      8.244 ppm2      4.363 CV     1
 ASSI {  479}
   (( segid "tbr1" and resid 39   and name HN  ))
   (( segid "tbr1" and resid 39   and name HA  ))
      3.200     1.200     1.200 peak   479 spectrum    1 weight  0.11000E+01 volume  0.14145E-02 ppm1      8.228 ppm2      4.677 CV     1
 ASSI {  480}
   (( segid "tbr1" and resid 39   and name HN  ))
   (( segid "tbr1" and resid 36   and name HA  ))
      4.200     2.200     1.800 peak   480 spectrum    1 weight  0.11000E+01 volume  0.69771E-03 ppm1      8.226 ppm2      4.785 CV     1
 ASSI {  481}
   (( segid "tbr1" and resid 39   and name HN  ))
   (( segid "tbr1" and resid 37   and name HA  ))
      4.400     2.400     1.600 peak   481 spectrum    1 weight  0.11000E+01 volume  0.35698E-03 ppm1      8.230 ppm2      4.878 CV     1
 ASSI {  482}
   (( segid "tbr1" and resid 39   and name HN  ))
   (( segid "tbr1" and resid 40   and name HE1 ))
      4.600     2.700     1.400 peak   482 spectrum    1 weight  0.11000E+01 volume  0.36297E-03 ppm1      8.240 ppm2      2.918 CV     1
 OR {  482}
   (( segid "tbr1" and resid 39   and name HN  ))
   (( segid "tbr1" and resid 40   and name HE2 ))
 ASSI {  483}
   (( segid "tbr1" and resid 39   and name HN  ))
   (( segid "tbr1" and resid 39   and name HB2 ))
      3.500     1.500     1.500 peak   483 spectrum    1 weight  0.11000E+01 volume  0.57802E-03 ppm1      8.224 ppm2      2.628 CV     1
 ASSI {  484}
   (( segid "tbr1" and resid 39   and name HN  ))
   (( segid "tbr1" and resid 39   and name HB1 ))
      3.700     1.700     1.700 peak   484 spectrum    1 weight  0.11000E+01 volume  0.72867E-03 ppm1      8.226 ppm2      2.695 CV     1
 ASSI {  485}
   (( segid "tbr1" and resid 39   and name HN  ))
   (  segid "tbr1" and resid 37   and name HG2%)
      4.700     2.800     1.300 peak   485 spectrum    1 weight  0.11000E+01 volume  0.36483E-03 ppm1      8.234 ppm2      1.181 CV     1
 ASSI {  486}
   (( segid "tbr1" and resid 39   and name HN  ))
   (  segid "tbr1" and resid 38   and name HG2%)
      4.400     2.400     1.600 peak   486 spectrum    1 weight  0.11000E+01 volume  0.35778E-03 ppm1      8.222 ppm2      1.259 CV     1
 ASSI {  487}
   (( segid "tbr1" and resid 39   and name HN  ))
   (( segid "tbr1" and resid 38   and name HN  ))
      3.700     1.700     1.700 peak   487 spectrum    1 weight  0.11000E+01 volume  0.37661E-03 ppm1      8.224 ppm2      8.403 CV     1
 ASSI {  488}
   (( segid "tbr1" and resid 40   and name HN  ))
   (  segid "tbr1" and resid 41   and name HG1%)
      4.500     2.500     1.500 peak   488 spectrum    1 weight  0.10000E+01 volume  0.33143E-03 ppm1      7.618 ppm2      0.705 CV     1
 ASSI {  489}
   (( segid "tbr1" and resid 40   and name HN  ))
   (  segid "tbr1" and resid 42   and name HD1%)
      4.100     2.100     1.900 peak   489 spectrum    1 weight  0.10000E+01 volume  0.31060E-03 ppm1      7.612 ppm2      0.811 CV     1
 ASSI {  490}
   (( segid "tbr1" and resid 40   and name HN  ))
   (  segid "tbr1" and resid 37   and name HG2%)
      3.800     3.800     2.200 peak   490 spectrum    1 weight  0.10000E+01 volume  0.11342E-02 ppm1      7.605 ppm2      1.191 CV     1
 ASSI {  491}
   (( segid "tbr1" and resid 40   and name HN  ))
   (( segid "tbr1" and resid 40   and name HG2 ))
      2.900     1.000     1.000 peak   491 spectrum    1 weight  0.11000E+01 volume  0.17140E-02 ppm1      7.609 ppm2      1.284 CV     1
 ASSI {  492}
   (( segid "tbr1" and resid 40   and name HN  ))
   (( segid "tbr1" and resid 40   and name HB2 ))
      3.400     1.500     1.500 peak   492 spectrum    1 weight  0.11000E+01 volume  0.14022E-02 ppm1      7.606 ppm2      1.778 CV     1
 ASSI {  493}
   (( segid "tbr1" and resid 40   and name HN  ))
   (( segid "tbr1" and resid 39   and name HB2 ))
      3.800     1.800     1.800 peak   493 spectrum    1 weight  0.11000E+01 volume  0.77682E-03 ppm1      7.607 ppm2      2.618 CV     1
 ASSI {  494}
   (( segid "tbr1" and resid 40   and name HN  ))
   (( segid "tbr1" and resid 39   and name HB1 ))
      3.300     1.300     1.300 peak   494 spectrum    1 weight  0.11000E+01 volume  0.97507E-03 ppm1      7.606 ppm2      2.689 CV     1
 ASSI {  495}
   (( segid "tbr1" and resid 40   and name HN  ))
   (( segid "tbr1" and resid 38   and name HA  ))
      4.200     2.200     1.800 peak   495 spectrum    1 weight  0.11000E+01 volume  0.40948E-03 ppm1      7.607 ppm2      3.972 CV     1
 ASSI {  496}
   (( segid "tbr1" and resid 40   and name HN  ))
   (( segid "tbr1" and resid 38   and name HB  ))
      3.600     3.600     2.400 peak   496 spectrum    1 weight  0.11000E+01 volume  0.30135E-03 ppm1      7.602 ppm2      4.200 CV     1
 ASSI {  497}
   (( segid "tbr1" and resid 40   and name HN  ))
   (( segid "tbr1" and resid 37   and name HA  ))
      4.300     2.300     1.700 peak   497 spectrum    1 weight  0.11000E+01 volume  0.37341E-03 ppm1      7.614 ppm2      4.893 CV     1
 ASSI {  498}
   (( segid "tbr1" and resid 40   and name HN  ))
   (( segid "tbr1" and resid 36   and name HA  ))
      4.000     2.000     2.000 peak   498 spectrum    1 weight  0.11000E+01 volume  0.57842E-03 ppm1      7.608 ppm2      4.796 CV     1
 ASSI {  503}
   (( segid "tbr1" and resid 42   and name HN  ))
   (( segid "tbr1" and resid 41   and name HB  ))
      3.900     1.900     1.900 peak   503 spectrum    1 weight  0.11000E+01 volume  0.95255E-03 ppm1      8.938 ppm2      1.888 CV     1
 ASSI {  504}
   (( segid "tbr1" and resid 42   and name HN  ))
   (( segid "tbr1" and resid 42   and name HG11))
      3.100     1.200     1.200 peak   504 spectrum    1 weight  0.11000E+01 volume  0.12703E-02 ppm1      8.941 ppm2      1.406 CV     1
 ASSI {  505}
   (( segid "tbr1" and resid 42   and name HN  ))
   (( segid "tbr1" and resid 42   and name HG12))
      3.900     1.900     1.900 peak   505 spectrum    1 weight  0.11000E+01 volume  0.11047E-02 ppm1      8.940 ppm2      1.054 CV     1
 ASSI {  506}
   (( segid "tbr1" and resid 42   and name HN  ))
   (  segid "tbr1" and resid 41   and name HG2%)
      4.000     2.000     2.000 peak   506 spectrum    1 weight  0.11000E+01 volume  0.87756E-03 ppm1      8.941 ppm2      0.914 CV     1
 ASSI {  507}
   (( segid "tbr1" and resid 42   and name HN  ))
   (  segid "tbr1" and resid 42   and name HD1%)
      3.100     1.200     1.200 peak   507 spectrum    1 weight  0.11000E+01 volume  0.14623E-02 ppm1      8.940 ppm2      0.815 CV     1
 OR {  507}
   (( segid "tbr1" and resid 42   and name HN  ))
   (  segid "tbr1" and resid 42   and name HG2%)
 ASSI {  509}
   (( segid "tbr1" and resid 42   and name HN  ))
   (( segid "tbr1" and resid 35   and name HB  ))
      3.500     1.500     1.500 peak   509 spectrum    1 weight  0.11000E+01 volume  0.91531E-03 ppm1      8.941 ppm2      3.899 CV     1
 ASSI {  510}
   (( segid "tbr1" and resid 42   and name HN  ))
   (( segid "tbr1" and resid 42   and name HA  ))
      3.000     1.100     1.100 peak   510 spectrum    1 weight  0.11000E+01 volume  0.15577E-02 ppm1      8.942 ppm2      4.341 CV     1
 ASSI {  511}
   (( segid "tbr1" and resid 42   and name HN  ))
   (( segid "tbr1" and resid 36   and name HA  ))
      3.300     1.300     1.300 peak   511 spectrum    1 weight  0.11000E+01 volume  0.10466E-02 ppm1      8.941 ppm2      4.786 CV     1
 ASSI {  512}
   (( segid "tbr1" and resid 42   and name HN  ))
   (( segid "tbr1" and resid 41   and name HN  ))
      4.300     2.400     1.700 peak   512 spectrum    1 weight  0.11000E+01 volume  0.44488E-03 ppm1      8.938 ppm2      8.296 CV     1
 ASSI {  513}
   (( segid "tbr1" and resid 42   and name HN  ))
   (( segid "tbr1" and resid 37   and name HN  ))
      4.500     2.500     1.500 peak   513 spectrum    1 weight  0.11000E+01 volume  0.35099E-03 ppm1      8.946 ppm2      8.394 CV     1
 ASSI {  514}
   (( segid "tbr1" and resid 43   and name HN  ))
   (( segid "tbr1" and resid 43   and name HB1 ))
      3.200     1.300     1.300 peak   514 spectrum    1 weight  0.11000E+01 volume  0.15147E-02 ppm1      8.795 ppm2      2.902 CV     1
 OR {  514}
   (( segid "tbr1" and resid 43   and name HN  ))
   (( segid "tbr1" and resid 43   and name HB2 ))
 ASSI {  515}
   (( segid "tbr1" and resid 43   and name HN  ))
   (( segid "tbr1" and resid 43   and name HA  ))
      3.600     1.700     1.700 peak   515 spectrum    1 weight  0.11000E+01 volume  0.46148E-03 ppm1      8.792 ppm2      5.317 CV     1
 ASSI {  516}
   (( segid "tbr1" and resid 43   and name HN  ))
   (  segid "tbr1" and resid 42   and name HG2%)
      3.800     1.800     1.800 peak   516 spectrum    1 weight  0.11000E+01 volume  0.55127E-03 ppm1      8.797 ppm2      0.812 CV     1
 ASSI {  517}
   (( segid "tbr1" and resid 44   and name HN  ))
   (  segid "tbr1" and resid 34   and name HG2%)
      3.700     3.700     2.300 peak   517 spectrum    1 weight  0.11000E+01 volume  0.61814E-03 ppm1      8.702 ppm2      0.678 CV     1
 ASSI {  518}
   (( segid "tbr1" and resid 44   and name HN  ))
   (  segid "tbr1" and resid 42   and name HG2%)
      4.100     2.100     1.900 peak   518 spectrum    1 weight  0.11000E+01 volume  0.56305E-03 ppm1      8.706 ppm2      0.811 CV     1
 ASSI {  519}
   (( segid "tbr1" and resid 44   and name HN  ))
   (  segid "tbr1" and resid 32   and name HG1%)
      3.400     1.400     1.400 peak   519 spectrum    1 weight  0.10000E+01 volume  0.10582E-02 ppm1      8.705 ppm2      0.956 CV     1
 ASSI {  520}
   (( segid "tbr1" and resid 44   and name HN  ))
   (( segid "tbr1" and resid 44   and name HB1 ))
      3.500     1.500     1.500 peak   520 spectrum    1 weight  0.11000E+01 volume  0.15671E-02 ppm1      8.703 ppm2      2.671 CV     1
 ASSI {  521}
   (( segid "tbr1" and resid 44   and name HN  ))
   (( segid "tbr1" and resid 43   and name HB2 ))
      3.300     1.400     1.400 peak   521 spectrum    1 weight  0.11000E+01 volume  0.19765E-02 ppm1      8.705 ppm2      2.895 CV     1
 OR {  521}
   (( segid "tbr1" and resid 44   and name HN  ))
   (( segid "tbr1" and resid 43   and name HB1 ))
 ASSI {  522}
   (( segid "tbr1" and resid 44   and name HN  ))
   (( segid "tbr1" and resid 44   and name HB2 ))
      3.000     1.100     1.100 peak   522 spectrum    1 weight  0.11000E+01 volume  0.15668E-02 ppm1      8.705 ppm2      2.986 CV     1
 ASSI {  523}
   (( segid "tbr1" and resid 44   and name HN  ))
   (( segid "tbr1" and resid 34   and name HA  ))
      4.200     2.200     1.800 peak   523 spectrum    1 weight  0.11000E+01 volume  0.39890E-03 ppm1      8.703 ppm2      4.749 CV     1
 ASSI {  524}
   (( segid "tbr1" and resid 44   and name HN  ))
   (( segid "tbr1" and resid 44   and name HA  ))
      3.100     1.200     1.200 peak   524 spectrum    1 weight  0.11000E+01 volume  0.15569E-02 ppm1      8.703 ppm2      4.859 CV     1
 ASSI {  526}
   (( segid "tbr1" and resid 44   and name HN  ))
   (( segid "tbr1" and resid 35   and name HN  ))
      4.800     2.900     1.200 peak   526 spectrum    1 weight  0.11000E+01 volume  0.34274E-03 ppm1      8.703 ppm2      8.917 CV     1
 ASSI {  529}
   (( segid "tbr1" and resid 45   and name HN  ))
   (( segid "tbr1" and resid 44   and name HA  ))
      3.200     1.200     1.200 peak   529 spectrum    1 weight  0.11000E+01 volume  0.13761E-02 ppm1      9.532 ppm2      4.864 CV     1
 ASSI {  530}
   (( segid "tbr1" and resid 46   and name HN  ))
   (  segid "tbr1" and resid 31   and name HD% )
      3.200     1.300     1.300 peak   530 spectrum    1 weight  0.11000E+01 volume  0.11279E-02 ppm1      9.071 ppm2      7.064 CV     1
 ASSI {  532}
   (( segid "tbr1" and resid 46   and name HN  ))
   (( segid "tbr1" and resid 32   and name HN  ))
      3.100     3.100     2.900 peak   532 spectrum    1 weight  0.11000E+01 volume  0.73121E-03 ppm1      9.074 ppm2      8.584 CV     1
 ASSI {  533}
   (( segid "tbr1" and resid 46   and name HN  ))
   (( segid "tbr1" and resid 31   and name HN  ))
      3.300     1.400     1.400 peak   533 spectrum    1 weight  0.11000E+01 volume  0.88384E-03 ppm1      9.073 ppm2      8.759 CV     1
 ASSI {  534}
   (( segid "tbr1" and resid 46   and name HN  ))
   (( segid "tbr1" and resid 30   and name HA  ))
      3.700     3.700     2.300 peak   534 spectrum    1 weight  0.11000E+01 volume  0.10586E-02 ppm1      9.075 ppm2      5.344 CV     1
 ASSI {  535}
   (( segid "tbr1" and resid 46   and name HN  ))
   (( segid "tbr1" and resid 46   and name HA  ))
      3.300     1.300     1.300 peak   535 spectrum    1 weight  0.11000E+01 volume  0.89704E-03 ppm1      9.073 ppm2      4.825 CV     1
 ASSI {  536}
   (( segid "tbr1" and resid 46   and name HN  ))
   (( segid "tbr1" and resid 45   and name HB1 ))
      4.000     2.000     2.000 peak   536 spectrum    1 weight  0.11000E+01 volume  0.84311E-03 ppm1      9.074 ppm2      4.015 CV     1
 ASSI {  537}
   (( segid "tbr1" and resid 46   and name HN  ))
   (( segid "tbr1" and resid 45   and name HB2 ))
      3.600     1.600     1.600 peak   537 spectrum    1 weight  0.11000E+01 volume  0.81704E-03 ppm1      9.072 ppm2      4.136 CV     1
 ASSI {  538}
   (( segid "tbr1" and resid 46   and name HN  ))
   (( segid "tbr1" and resid 31   and name HB1 ))
      3.300     1.300     1.300 peak   538 spectrum    1 weight  0.11000E+01 volume  0.89570E-03 ppm1      9.075 ppm2      2.875 CV     1
 ASSI {  539}
   (( segid "tbr1" and resid 46   and name HN  ))
   (( segid "tbr1" and resid 46   and name HB1 ))
      3.300     1.300     1.300 peak   539 spectrum    1 weight  0.11000E+01 volume  0.12690E-02 ppm1      9.073 ppm2      2.368 CV     1
 ASSI {  541}
   (( segid "tbr1" and resid 46   and name HN  ))
   (( segid "tbr1" and resid 48   and name HG12))
      4.100     2.100     1.900 peak   541 spectrum    1 weight  0.11000E+01 volume  0.33269E-03 ppm1      9.074 ppm2      0.968 CV     1
 ASSI {  542}
   (( segid "tbr1" and resid 37   and name HN  ))
   (( segid "tbr1" and resid 40   and name HN  ))
      3.000     1.200     1.200 peak   542 spectrum    1 weight  0.11000E+01 volume  0.14488E-02 ppm1      8.386 ppm2      7.604 CV     1
 ASSI {  543}
   (( segid "tbr1" and resid 47   and name HN  ))
   (( segid "tbr1" and resid 48   and name HN  ))
      4.100     2.100     1.900 peak   543 spectrum    1 weight  0.11000E+01 volume  0.63452E-03 ppm1      8.388 ppm2      8.790 CV     1
 ASSI {  544}
   (( segid "tbr1" and resid 37   and name HN  ))
   (( segid "tbr1" and resid 36   and name HN  ))
      3.800     1.800     1.800 peak   544 spectrum    1 weight  0.11000E+01 volume  0.72385E-03 ppm1      8.390 ppm2      8.967 CV     1
 ASSI {  545}
   (( segid "tbr1" and resid 37   and name HN  ))
   (( segid "tbr1" and resid 40   and name HA  ))
      3.500     1.500     1.500 peak   545 spectrum    1 weight  0.10000E+01 volume  0.10166E-02 ppm1      8.385 ppm2      4.584 CV     1
 ASSI {  546}
   (( segid "tbr1" and resid 37   and name HN  ))
   (( segid "tbr1" and resid 41   and name HA  ))
      3.500     1.500     1.500 peak   546 spectrum    1 weight  0.11000E+01 volume  0.18919E-02 ppm1      8.386 ppm2      4.683 CV     1
 ASSI {  547}
   (( segid "tbr1" and resid 47   and name HN  ))
   (( segid "tbr1" and resid 26   and name HB  ))
      4.400     2.500     1.600 peak   547 spectrum    1 weight  0.11000E+01 volume  0.47735E-03 ppm1      8.388 ppm2      3.671 CV     1
 ASSI {  549}
   (( segid "tbr1" and resid 47   and name HN  ))
   (( segid "tbr1" and resid 12   and name HB1 ))
      4.200     2.200     1.800 peak   549 spectrum    1 weight  0.11000E+01 volume  0.39038E-03 ppm1      8.387 ppm2      3.076 CV     1
 ASSI {  550}
   (( segid "tbr1" and resid 47   and name HN  ))
   (( segid "tbr1" and resid 31   and name HB1 ))
      4.200     2.200     1.800 peak   550 spectrum    1 weight  0.11000E+01 volume  0.30980E-03 ppm1      8.389 ppm2      2.824 CV     1
 ASSI {  551}
   (( segid "tbr1" and resid 47   and name HN  ))
   (( segid "tbr1" and resid 47   and name HB2 ))
      3.200     1.300     1.300 peak   551 spectrum    1 weight  0.11000E+01 volume  0.17917E-02 ppm1      8.389 ppm2      2.701 CV     1
 ASSI {  552}
   (( segid "tbr1" and resid 37   and name HN  ))
   (( segid "tbr1" and resid 36   and name HG2 ))
      3.800     1.800     1.800 peak   552 spectrum    1 weight  0.11000E+01 volume  0.18122E-02 ppm1      8.387 ppm2      2.149 CV     1
 OR {  552}
   (( segid "tbr1" and resid 37   and name HN  ))
   (( segid "tbr1" and resid 36   and name HG1 ))
 ASSI {  553}
   (( segid "tbr1" and resid 37   and name HN  ))
   (( segid "tbr1" and resid 36   and name HB2 ))
      4.000     2.000     2.000 peak   553 spectrum    1 weight  0.11000E+01 volume  0.99086E-03 ppm1      8.381 ppm2      1.943 CV     1
 ASSI {  554}
   (( segid "tbr1" and resid 47   and name HN  ))
   (( segid "tbr1" and resid 48   and name HB  ))
      4.400     4.400     1.600 peak   554 spectrum    1 weight  0.11000E+01 volume  0.50596E-03 ppm1      8.385 ppm2      1.659 CV     1
 ASSI {  555}
   (( segid "tbr1" and resid 37   and name HN  ))
   (  segid "tbr1" and resid 35   and name HG2%)
      3.800     1.800     1.800 peak   555 spectrum    1 weight  0.11000E+01 volume  0.57336E-03 ppm1      8.385 ppm2      1.078 CV     1
 ASSI {  556}
   (( segid "tbr1" and resid 37   and name HN  ))
   (  segid "tbr1" and resid 41   and name HG2%)
      4.100     2.100     1.900 peak   556 spectrum    1 weight  0.11000E+01 volume  0.99848E-03 ppm1      8.384 ppm2      0.905 CV     1
 ASSI {  557}
   (( segid "tbr1" and resid 37   and name HN  ))
   (  segid "tbr1" and resid 42   and name HG2%)
      4.800     2.900     1.200 peak   557 spectrum    1 weight  0.11000E+01 volume  0.40183E-03 ppm1      8.391 ppm2      0.818 CV     1
 ASSI {  558}
   (( segid "tbr1" and resid 37   and name HN  ))
   (  segid "tbr1" and resid 41   and name HG1%)
      4.600     2.600     1.400 peak   558 spectrum    1 weight  0.11000E+01 volume  0.58121E-03 ppm1      8.381 ppm2      0.703 CV     1
 ASSI {  559}
   (( segid "tbr1" and resid 37   and name HN  ))
   (( segid "tbr1" and resid 37   and name HA  ))
      2.700     0.900     0.900 peak   559 spectrum    1 weight  0.11000E+01 volume  0.30442E-02 ppm1      8.387 ppm2      4.895 CV     1
 ASSI {  560}
   (( segid "tbr1" and resid 47   and name HN  ))
   (( segid "tbr1" and resid 45   and name HA  ))
      3.600     3.600     2.400 peak   560 spectrum    1 weight  0.11000E+01 volume  0.27367E-03 ppm1      8.392 ppm2      5.695 CV     1
 ASSI {  562}
   (( segid "tbr1" and resid 48   and name HN  ))
   (( segid "tbr1" and resid 30   and name HA  ))
      3.300     1.400     1.400 peak   562 spectrum    1 weight  0.11000E+01 volume  0.87147E-03 ppm1      8.786 ppm2      5.366 CV     1
 ASSI {  563}
   (( segid "tbr1" and resid 48   and name HN  ))
   (( segid "tbr1" and resid 26   and name HA  ))
      4.100     2.100     1.900 peak   563 spectrum    1 weight  0.11000E+01 volume  0.89723E-03 ppm1      8.788 ppm2      4.821 CV     1
 ASSI {  565}
   (( segid "tbr1" and resid 48   and name HN  ))
   (( segid "tbr1" and resid 48   and name HA  ))
      2.800     1.000     1.000 peak   565 spectrum    1 weight  0.11000E+01 volume  0.18935E-02 ppm1      8.791 ppm2      4.276 CV     1
 ASSI {  567}
   (( segid "tbr1" and resid 48   and name HN  ))
   (( segid "tbr1" and resid 26   and name HB  ))
      3.900     1.900     1.900 peak   567 spectrum    1 weight  0.11000E+01 volume  0.39531E-03 ppm1      8.792 ppm2      3.656 CV     1
 ASSI {  568}
   (( segid "tbr1" and resid 48   and name HN  ))
   (( segid "tbr1" and resid 47   and name HB1 ))
      4.500     2.500     1.500 peak   568 spectrum    1 weight  0.11000E+01 volume  0.68451E-03 ppm1      8.793 ppm2      3.182 CV     1
 ASSI {  569}
   (( segid "tbr1" and resid 48   and name HN  ))
   (( segid "tbr1" and resid 47   and name HB2 ))
      3.600     1.600     1.600 peak   569 spectrum    1 weight  0.11000E+01 volume  0.15023E-02 ppm1      8.789 ppm2      2.701 CV     1
 ASSI {  570}
   (( segid "tbr1" and resid 48   and name HN  ))
   (( segid "tbr1" and resid 48   and name HG11))
      3.700     1.700     1.700 peak   570 spectrum    1 weight  0.11000E+01 volume  0.14520E-02 ppm1      8.788 ppm2      1.194 CV     1
 ASSI {  571}
   (( segid "tbr1" and resid 48   and name HN  ))
   (( segid "tbr1" and resid 48   and name HG12))
      3.200     1.300     1.300 peak   571 spectrum    1 weight  0.11000E+01 volume  0.14353E-02 ppm1      8.789 ppm2      0.966 CV     1
 ASSI {  573}
   (( segid "tbr1" and resid 48   and name HN  ))
   (  segid "tbr1" and resid 53   and name HD1%)
      4.800     2.800     1.200 peak   573 spectrum    1 weight  0.10000E+01 volume  0.31779E-03 ppm1      8.795 ppm2      0.602 CV     1
 ASSI {  574}
   (( segid "tbr1" and resid 48   and name HN  ))
   (  segid "tbr1" and resid 48   and name HD1%)
      4.400     2.500     1.600 peak   574 spectrum    1 weight  0.11000E+01 volume  0.55579E-03 ppm1      8.783 ppm2      0.446 CV     1
 ASSI {  575}
   (( segid "tbr1" and resid 48   and name HN  ))
   (  segid "tbr1" and resid 49   and name HB% )
      4.400     2.400     1.600 peak   575 spectrum    1 weight  0.11000E+01 volume  0.47688E-03 ppm1      8.789 ppm2      1.518 CV     1
 ASSI {  582}
   (( segid "tbr1" and resid 49   and name HN  ))
   (( segid "tbr1" and resid 48   and name HG11))
      5.200     3.400     0.800 peak   582 spectrum    1 weight  0.11000E+01 volume  0.45059E-03 ppm1      8.826 ppm2      1.188 CV     1
 ASSI {  584}
   (( segid "tbr1" and resid 49   and name HN  ))
   (( segid "tbr1" and resid 48   and name HB  ))
      4.500     2.500     1.500 peak   584 spectrum    1 weight  0.11000E+01 volume  0.48957E-03 ppm1      8.827 ppm2      1.618 CV     1
 ASSI {  585}
   (( segid "tbr1" and resid 49   and name HN  ))
   (( segid "tbr1" and resid 50   and name HB1 ))
      5.200     3.400     0.800 peak   585 spectrum    1 weight  0.11000E+01 volume  0.26435E-03 ppm1      8.826 ppm2      1.789 CV     1
 OR {  585}
   (( segid "tbr1" and resid 49   and name HN  ))
   (( segid "tbr1" and resid 50   and name HB2 ))
 ASSI {  587}
   (( segid "tbr1" and resid 49   and name HN  ))
   (( segid "tbr1" and resid 47   and name HB2 ))
      3.500     1.500     1.500 peak   587 spectrum    1 weight  0.11000E+01 volume  0.35385E-03 ppm1      8.822 ppm2      2.688 CV     1
 ASSI {  589}
   (( segid "tbr1" and resid 49   and name HN  ))
   (( segid "tbr1" and resid 49   and name HA  ))
      2.800     1.000     1.000 peak   589 spectrum    1 weight  0.11000E+01 volume  0.16602E-02 ppm1      8.823 ppm2      4.188 CV     1
 ASSI {  598}
   (( segid "tbr1" and resid 50   and name HN  ))
   (( segid "tbr1" and resid 28   and name HN  ))
      3.000     1.200     1.200 peak   598 spectrum    1 weight  0.11000E+01 volume  0.11526E-02 ppm1      8.617 ppm2      8.345 CV     1
 ASSI {  599}
   (( segid "tbr1" and resid 50   and name HN  ))
   (( segid "tbr1" and resid 49   and name HN  ))
      3.800     1.800     1.800 peak   599 spectrum    1 weight  0.11000E+01 volume  0.10941E-02 ppm1      8.617 ppm2      8.804 CV     1
 ASSI {  600}
   (( segid "tbr1" and resid 50   and name HN  ))
   (( segid "tbr1" and resid 26   and name HA  ))
      3.500     1.600     1.600 peak   600 spectrum    1 weight  0.11000E+01 volume  0.30554E-03 ppm1      8.616 ppm2      4.840 CV     1
 ASSI {  601}
   (( segid "tbr1" and resid 50   and name HN  ))
   (( segid "tbr1" and resid 28   and name HA2 ))
      3.000     1.200     1.200 peak   601 spectrum    1 weight  0.11000E+01 volume  0.15286E-02 ppm1      8.615 ppm2      4.119 CV     1
 OR {  601}
   (( segid "tbr1" and resid 50   and name HN  ))
   (( segid "tbr1" and resid 28   and name HA1 ))
 ASSI {  602}
   (( segid "tbr1" and resid 50   and name HN  ))
   (( segid "tbr1" and resid 27   and name HB2 ))
      4.100     2.100     1.900 peak   602 spectrum    1 weight  0.11000E+01 volume  0.34048E-03 ppm1      8.615 ppm2      3.046 CV     1
 ASSI {  603}
   (( segid "tbr1" and resid 50   and name HN  ))
   (( segid "tbr1" and resid 50   and name HG2 ))
      4.100     2.100     1.900 peak   603 spectrum    1 weight  0.11000E+01 volume  0.10115E-02 ppm1      8.618 ppm2      2.147 CV     1
 ASSI {  606}
   (( segid "tbr1" and resid 50   and name HN  ))
   (  segid "tbr1" and resid 51   and name HG2%)
      4.000     2.000     2.000 peak   606 spectrum    1 weight  0.11000E+01 volume  0.10115E-02 ppm1      8.617 ppm2      0.829 CV     1
 ASSI {  607}
   (( segid "tbr1" and resid 51   and name HN  ))
   (( segid "tbr1" and resid 51   and name HG11))
      2.800     1.000     1.000 peak   607 spectrum    1 weight  0.11000E+01 volume  0.16665E-02 ppm1      8.083 ppm2      1.403 CV     1
 ASSI {  610}
   (( segid "tbr1" and resid 51   and name HN  ))
   (( segid "tbr1" and resid 50   and name HG2 ))
      3.600     1.600     1.600 peak   610 spectrum    1 weight  0.11000E+01 volume  0.96282E-03 ppm1      8.084 ppm2      2.171 CV     1
 ASSI {  611}
   (( segid "tbr1" and resid 51   and name HN  ))
   (( segid "tbr1" and resid 52   and name HB1 ))
      5.100     3.300     0.900 peak   611 spectrum    1 weight  0.11000E+01 volume  0.42458E-03 ppm1      8.084 ppm2      2.573 CV     1
 ASSI {  612}
   (( segid "tbr1" and resid 51   and name HN  ))
   (( segid "tbr1" and resid 50   and name HA  ))
      3.200     1.300     1.300 peak   612 spectrum    1 weight  0.11000E+01 volume  0.96327E-03 ppm1      8.085 ppm2      3.684 CV     1
 ASSI {  613}
   (( segid "tbr1" and resid 51   and name HN  ))
   (( segid "tbr1" and resid 49   and name HA  ))
      3.800     1.800     1.800 peak   613 spectrum    1 weight  0.11000E+01 volume  0.74142E-03 ppm1      8.084 ppm2      4.203 CV     1
 ASSI {  614}
   (( segid "tbr1" and resid 51   and name HN  ))
   (( segid "tbr1" and resid 52   and name HA  ))
      4.700     2.800     1.300 peak   614 spectrum    1 weight  0.11000E+01 volume  0.39052E-03 ppm1      8.083 ppm2      4.787 CV     1
 ASSI {  616}
   (( segid "tbr1" and resid 52   and name HN  ))
   (( segid "tbr1" and resid 50   and name HN  ))
      3.900     1.900     1.900 peak   616 spectrum    1 weight  0.11000E+01 volume  0.42545E-03 ppm1      7.450 ppm2      8.615 CV     1
 ASSI {  617}
   (( segid "tbr1" and resid 52   and name HN  ))
   (( segid "tbr1" and resid 49   and name HN  ))
      4.000     2.000     2.000 peak   617 spectrum    1 weight  0.11000E+01 volume  0.45845E-03 ppm1      7.459 ppm2      8.823 CV     1
 ASSI {  618}
   (( segid "tbr1" and resid 52   and name HN  ))
   (( segid "tbr1" and resid 52   and name HA  ))
      2.900     1.100     1.100 peak   618 spectrum    1 weight  0.11000E+01 volume  0.18843E-02 ppm1      7.461 ppm2      4.815 CV     1
 ASSI {  619}
   (( segid "tbr1" and resid 52   and name HN  ))
   (( segid "tbr1" and resid 53   and name HA  ))
      4.100     2.100     1.900 peak   619 spectrum    1 weight  0.11000E+01 volume  0.59106E-03 ppm1      7.453 ppm2      4.202 CV     1
 ASSI {  620}
   (( segid "tbr1" and resid 52   and name HN  ))
   (( segid "tbr1" and resid 51   and name HA  ))
      3.200     1.300     1.300 peak   620 spectrum    1 weight  0.11000E+01 volume  0.12564E-02 ppm1      7.457 ppm2      3.991 CV     1
 ASSI {  621}
   (( segid "tbr1" and resid 52   and name HN  ))
   (( segid "tbr1" and resid 50   and name HA  ))
      3.500     1.500     1.500 peak   621 spectrum    1 weight  0.10000E+01 volume  0.58541E-03 ppm1      7.455 ppm2      3.677 CV     1
 ASSI {  622}
   (( segid "tbr1" and resid 52   and name HN  ))
   (( segid "tbr1" and resid 53   and name HB2 ))
      4.200     2.200     1.800 peak   622 spectrum    1 weight  0.11000E+01 volume  0.62466E-03 ppm1      7.456 ppm2      2.193 CV     1
 ASSI {  623}
   (( segid "tbr1" and resid 52   and name HN  ))
   (( segid "tbr1" and resid 51   and name HG11))
      2.700     0.900     0.900 peak   623 spectrum    1 weight  0.11000E+01 volume  0.10685E-02 ppm1      7.457 ppm2      1.402 CV     1
 ASSI {  624}
   (( segid "tbr1" and resid 52   and name HN  ))
   (( segid "tbr1" and resid 51   and name HG12))
      4.800     2.800     1.200 peak   624 spectrum    1 weight  0.11000E+01 volume  0.57669E-03 ppm1      7.455 ppm2      1.212 CV     1
 ASSI {  625}
   (( segid "tbr1" and resid 52   and name HN  ))
   (( segid "tbr1" and resid 53   and name HB1 ))
      5.100     3.300     0.900 peak   625 spectrum    1 weight  0.11000E+01 volume  0.43476E-03 ppm1      7.452 ppm2      1.038 CV     1
 ASSI {  626}
   (( segid "tbr1" and resid 52   and name HN  ))
   (  segid "tbr1" and resid 53   and name HD1%)
      4.100     2.100     1.900 peak   626 spectrum    1 weight  0.11000E+01 volume  0.40974E-03 ppm1      7.449 ppm2      0.612 CV     1
 ASSI {  627}
   (( segid "tbr1" and resid 52   and name HN  ))
   (( segid "tbr1" and resid 51   and name HB  ))
      3.800     1.800     1.800 peak   627 spectrum    1 weight  0.11000E+01 volume  0.10996E-02 ppm1      7.458 ppm2      1.816 CV     1
 ASSI {  629}
   (( segid "tbr1" and resid 53   and name HN  ))
   (( segid "tbr1" and resid 51   and name HN  ))
      4.000     2.000     2.000 peak   629 spectrum    1 weight  0.11000E+01 volume  0.44400E-03 ppm1      7.528 ppm2      8.084 CV     1
 ASSI {  630}
   (( segid "tbr1" and resid 53   and name HN  ))
   (( segid "tbr1" and resid 52   and name HA  ))
      3.400     1.400     1.400 peak   630 spectrum    1 weight  0.11000E+01 volume  0.97342E-03 ppm1      7.528 ppm2      4.811 CV     1
 ASSI {  631}
   (( segid "tbr1" and resid 53   and name HN  ))
   (( segid "tbr1" and resid 51   and name HA  ))
      3.500     1.600     1.600 peak   631 spectrum    1 weight  0.11000E+01 volume  0.69733E-03 ppm1      7.528 ppm2      3.988 CV     1
 ASSI {  632}
   (( segid "tbr1" and resid 53   and name HN  ))
   (( segid "tbr1" and resid 50   and name HA  ))
      3.300     1.300     1.300 peak   632 spectrum    1 weight  0.11000E+01 volume  0.10306E-02 ppm1      7.528 ppm2      3.681 CV     1
 ASSI {  633}
   (( segid "tbr1" and resid 53   and name HN  ))
   (( segid "tbr1" and resid 56   and name HA  ))
      5.100     3.300     0.900 peak   633 spectrum    1 weight  0.10000E+01 volume  0.37001E-03 ppm1      7.527 ppm2      3.802 CV     1
 ASSI {  635}
   (( segid "tbr1" and resid 53   and name HN  ))
   (( segid "tbr1" and resid 52   and name HB2 ))
      3.700     1.800     1.800 peak   635 spectrum    1 weight  0.11000E+01 volume  0.52445E-03 ppm1      7.527 ppm2      2.786 CV     1
 ASSI {  636}
   (( segid "tbr1" and resid 53   and name HN  ))
   (( segid "tbr1" and resid 52   and name HB1 ))
      3.500     1.600     1.600 peak   636 spectrum    1 weight  0.11000E+01 volume  0.10185E-02 ppm1      7.528 ppm2      2.579 CV     1
 ASSI {  640}
   (( segid "tbr1" and resid 53   and name HN  ))
   (  segid "tbr1" and resid 53   and name HD1%)
      3.100     1.200     1.200 peak   640 spectrum    1 weight  0.11000E+01 volume  0.13006E-02 ppm1      7.528 ppm2      0.601 CV     1
 ASSI {  641}
   (( segid "tbr1" and resid 54   and name HN  ))
   (( segid "tbr1" and resid 53   and name HN  ))
      3.800     1.800     1.800 peak   641 spectrum    1 weight  0.11000E+01 volume  0.96485E-03 ppm1      7.663 ppm2      7.538 CV     1
 ASSI {  642}
   (( segid "tbr1" and resid 54   and name HN  ))
   (( segid "tbr1" and resid 60   and name HN  ))
      4.500     2.500     1.500 peak   642 spectrum    1 weight  0.11000E+01 volume  0.40549E-03 ppm1      7.659 ppm2      8.736 CV     1
 ASSI {  643}
   (( segid "tbr1" and resid 54   and name HN  ))
   (( segid "tbr1" and resid 61   and name HN  ))
      4.400     2.400     1.600 peak   643 spectrum    1 weight  0.10000E+01 volume  0.25977E-03 ppm1      7.659 ppm2      8.358 CV     1
 ASSI {  644}
   (( segid "tbr1" and resid 54   and name HN  ))
   (( segid "tbr1" and resid 54   and name HA  ))
      2.800     1.000     1.000 peak   644 spectrum    1 weight  0.11000E+01 volume  0.15279E-02 ppm1      7.658 ppm2      4.371 CV     1
 ASSI {  645}
   (( segid "tbr1" and resid 54   and name HN  ))
   (( segid "tbr1" and resid 59   and name HA  ))
      3.100     1.200     1.200 peak   645 spectrum    1 weight  0.10000E+01 volume  0.10488E-02 ppm1      7.660 ppm2      4.273 CV     1
 ASSI {  647}
   (( segid "tbr1" and resid 54   and name HN  ))
   (( segid "tbr1" and resid 53   and name HB2 ))
      4.700     2.700     1.300 peak   647 spectrum    1 weight  0.11000E+01 volume  0.36017E-03 ppm1      7.663 ppm2      2.222 CV     1
 ASSI {  648}
   (( segid "tbr1" and resid 54   and name HN  ))
   (( segid "tbr1" and resid 59   and name HB2 ))
      4.300     2.300     1.700 peak   648 spectrum    1 weight  0.10000E+01 volume  0.10030E-02 ppm1      7.655 ppm2      1.979 CV     1
 ASSI {  649}
   (( segid "tbr1" and resid 54   and name HN  ))
   (( segid "tbr1" and resid 54   and name HG12))
      3.300     1.400     1.400 peak   649 spectrum    1 weight  0.11000E+01 volume  0.10102E-02 ppm1      7.658 ppm2      1.322 CV     1
 ASSI {  650}
   (( segid "tbr1" and resid 54   and name HN  ))
   (  segid "tbr1" and resid 53   and name HD1%)
      4.200     2.200     1.800 peak   650 spectrum    1 weight  0.11000E+01 volume  0.10088E-02 ppm1      7.660 ppm2      0.601 CV     1
 ASSI {  651}
   (( segid "tbr1" and resid 54   and name HN  ))
   (  segid "tbr1" and resid 54   and name HD1%)
      3.600     1.600     1.600 peak   651 spectrum    1 weight  0.11000E+01 volume  0.15819E-02 ppm1      7.657 ppm2      0.873 CV     1
 OR {  651}
   (( segid "tbr1" and resid 54   and name HN  ))
   (  segid "tbr1" and resid 54   and name HG2%)
 ASSI {  652}
   (( segid "tbr1" and resid 54   and name HN  ))
   (( segid "tbr1" and resid 54   and name HG11))
      2.900     1.100     1.100 peak   652 spectrum    1 weight  0.11000E+01 volume  0.12177E-02 ppm1      7.656 ppm2      0.988 CV     1
 ASSI {  653}
   (( segid "tbr1" and resid 54   and name HN  ))
   (( segid "tbr1" and resid 59   and name HB1 ))
      2.900     1.100     1.100 peak   653 spectrum    1 weight  0.10000E+01 volume  0.74148E-03 ppm1      7.658 ppm2      1.616 CV     1
 ASSI {  654}
   (( segid "tbr1" and resid 56   and name HN  ))
   (( segid "tbr1" and resid 57   and name HN  ))
      3.000     1.100     1.100 peak   654 spectrum    1 weight  0.11000E+01 volume  0.14249E-02 ppm1      8.565 ppm2      8.440 CV     1
 ASSI {  657}
   (( segid "tbr1" and resid 56   and name HN  ))
   (( segid "tbr1" and resid 56   and name HA  ))
      2.900     1.000     1.000 peak   657 spectrum    1 weight  0.11000E+01 volume  0.17839E-02 ppm1      8.564 ppm2      3.812 CV     1
 ASSI {  658}
   (( segid "tbr1" and resid 56   and name HN  ))
   (( segid "tbr1" and resid 56   and name HD1 ))
      4.700     2.800     1.300 peak   658 spectrum    1 weight  0.11000E+01 volume  0.29418E-03 ppm1      8.566 ppm2      3.275 CV     1
 OR {  658}
   (( segid "tbr1" and resid 56   and name HN  ))
   (( segid "tbr1" and resid 56   and name HD2 ))
 ASSI {  659}
   (( segid "tbr1" and resid 56   and name HN  ))
   (( segid "tbr1" and resid 55   and name HB2 ))
      3.200     1.300     1.300 peak   659 spectrum    1 weight  0.11000E+01 volume  0.88054E-03 ppm1      8.566 ppm2      2.410 CV     1
 ASSI {  660}
   (( segid "tbr1" and resid 56   and name HN  ))
   (( segid "tbr1" and resid 55   and name HB1 ))
      4.200     2.200     1.800 peak   660 spectrum    1 weight  0.11000E+01 volume  0.38207E-03 ppm1      8.566 ppm2      2.081 CV     1
 ASSI {  662}
   (( segid "tbr1" and resid 56   and name HN  ))
   (( segid "tbr1" and resid 56   and name HG1 ))
      3.600     1.600     1.600 peak   662 spectrum    1 weight  0.11000E+01 volume  0.75195E-03 ppm1      8.567 ppm2      1.596 CV     1
 ASSI {  663}
   (( segid "tbr1" and resid 56   and name HN  ))
   (  segid "tbr1" and resid 54   and name HG2%)
      3.400     1.400     1.400 peak   663 spectrum    1 weight  0.11000E+01 volume  0.41906E-03 ppm1      8.563 ppm2      0.871 CV     1
 OR {  663}
   (( segid "tbr1" and resid 56   and name HN  ))
   (  segid "tbr1" and resid 54   and name HD1%)
 ASSI {  667}
   (( segid "tbr1" and resid 57   and name HN  ))
   (( segid "tbr1" and resid 55   and name HB1 ))
      4.200     2.200     1.800 peak   667 spectrum    1 weight  0.10000E+01 volume  0.14578E-02 ppm1      8.436 ppm2      2.083 CV     1
 ASSI {  668}
   (( segid "tbr1" and resid 57   and name HN  ))
   (( segid "tbr1" and resid 55   and name HB2 ))
      3.100     1.200     1.200 peak   668 spectrum    1 weight  0.10000E+01 volume  0.75258E-03 ppm1      8.436 ppm2      2.410 CV     1
 ASSI {  670}
   (( segid "tbr1" and resid 57   and name HN  ))
   (( segid "tbr1" and resid 56   and name HD1 ))
      3.300     3.300     2.700 peak   670 spectrum    1 weight  0.11000E+01 volume  0.43430E-03 ppm1      8.436 ppm2      3.291 CV     1
 ASSI {  671}
   (( segid "tbr1" and resid 57   and name HN  ))
   (( segid "tbr1" and resid 59   and name HD1 ))
      4.200     2.200     1.800 peak   671 spectrum    1 weight  0.11000E+01 volume  0.30996E-03 ppm1      8.436 ppm2      3.424 CV     1
 ASSI {  672}
   (( segid "tbr1" and resid 57   and name HN  ))
   (( segid "tbr1" and resid 56   and name HA  ))
      3.300     1.400     1.400 peak   672 spectrum    1 weight  0.11000E+01 volume  0.89691E-03 ppm1      8.435 ppm2      3.813 CV     1
 ASSI {  673}
   (( segid "tbr1" and resid 57   and name HN  ))
   (( segid "tbr1" and resid 55   and name HA  ))
      4.200     2.300     1.800 peak   673 spectrum    1 weight  0.11000E+01 volume  0.66662E-03 ppm1      8.440 ppm2      4.802 CV     1
 ASSI {  675}
   (( segid "tbr1" and resid 57   and name HN  ))
   (( segid "tbr1" and resid 58   and name HG1 ))
      5.000     5.000     1.000 peak   675 spectrum    1 weight  0.11000E+01 volume  0.30427E-03 ppm1      8.442 ppm2      1.455 CV     1
 OR {  675}
   (( segid "tbr1" and resid 57   and name HN  ))
   (( segid "tbr1" and resid 58   and name HG2 ))
 ASSI {  676}
   (( segid "tbr1" and resid 58   and name HN  ))
   (( segid "tbr1" and resid 56   and name HN  ))
      4.400     2.500     1.600 peak   676 spectrum    1 weight  0.11000E+01 volume  0.44342E-03 ppm1      6.918 ppm2      8.554 CV     1
 ASSI {  678}
   (( segid "tbr1" and resid 58   and name HN  ))
   (( segid "tbr1" and resid 59   and name HA  ))
      3.700     1.700     1.700 peak   678 spectrum    1 weight  0.11000E+01 volume  0.54482E-03 ppm1      6.918 ppm2      4.244 CV     1
 ASSI {  679}
   (( segid "tbr1" and resid 58   and name HN  ))
   (( segid "tbr1" and resid 56   and name HA  ))
      3.600     1.600     1.600 peak   679 spectrum    1 weight  0.11000E+01 volume  0.78468E-03 ppm1      6.922 ppm2      3.790 CV     1
 ASSI {  680}
   (( segid "tbr1" and resid 58   and name HN  ))
   (( segid "tbr1" and resid 59   and name HD2 ))
      3.600     1.600     1.600 peak   680 spectrum    1 weight  0.11000E+01 volume  0.14215E-02 ppm1      6.924 ppm2      3.306 CV     1
 ASSI {  681}
   (( segid "tbr1" and resid 58   and name HN  ))
   (( segid "tbr1" and resid 57   and name HB1 ))
      3.300     1.300     1.300 peak   681 spectrum    1 weight  0.11000E+01 volume  0.12489E-02 ppm1      6.922 ppm2      2.623 CV     1
 OR {  681}
   (( segid "tbr1" and resid 58   and name HN  ))
   (( segid "tbr1" and resid 57   and name HB2 ))
 ASSI {  682}
   (( segid "tbr1" and resid 58   and name HN  ))
   (( segid "tbr1" and resid 55   and name HB2 ))
      3.800     1.800     1.800 peak   682 spectrum    1 weight  0.11000E+01 volume  0.40118E-03 ppm1      6.923 ppm2      2.418 CV     1
 ASSI {  683}
   (( segid "tbr1" and resid 58   and name HN  ))
   (( segid "tbr1" and resid 55   and name HB1 ))
      4.300     2.300     1.700 peak   683 spectrum    1 weight  0.11000E+01 volume  0.11193E-02 ppm1      6.922 ppm2      2.088 CV     1
 ASSI {  685}
   (( segid "tbr1" and resid 58   and name HN  ))
   (( segid "tbr1" and resid 59   and name HB2 ))
      4.500     2.500     1.500 peak   685 spectrum    1 weight  0.11000E+01 volume  0.45649E-03 ppm1      6.921 ppm2      1.945 CV     1
 ASSI {  686}
   (( segid "tbr1" and resid 58   and name HN  ))
   (( segid "tbr1" and resid 58   and name HB1 ))
      3.000     1.100     1.100 peak   686 spectrum    1 weight  0.11000E+01 volume  0.19815E-02 ppm1      6.922 ppm2      1.535 CV     1
 ASSI {  687}
   (( segid "tbr1" and resid 60   and name HN  ))
   (( segid "tbr1" and resid 61   and name HN  ))
      2.800     1.000     1.000 peak   687 spectrum    1 weight  0.11000E+01 volume  0.16903E-02 ppm1      8.720 ppm2      8.368 CV     1
 ASSI {  689}
   (( segid "tbr1" and resid 60   and name HN  ))
   (  segid "tbr1" and resid 60   and name HD% )
      3.800     1.800     1.800 peak   689 spectrum    1 weight  0.11000E+01 volume  0.57441E-03 ppm1      8.718 ppm2      7.362 CV     1
 ASSI {  691}
   (( segid "tbr1" and resid 60   and name HN  ))
   (( segid "tbr1" and resid 61   and name HA  ))
      4.900     3.000     1.100 peak   691 spectrum    1 weight  0.11000E+01 volume  0.27925E-03 ppm1      8.718 ppm2      3.989 CV     1
 ASSI {  693}
   (( segid "tbr1" and resid 60   and name HN  ))
   (( segid "tbr1" and resid 59   and name HB2 ))
      3.800     1.800     1.800 peak   693 spectrum    1 weight  0.11000E+01 volume  0.89437E-03 ppm1      8.721 ppm2      1.982 CV     1
 ASSI {  694}
   (( segid "tbr1" and resid 60   and name HN  ))
   (( segid "tbr1" and resid 59   and name HG1 ))
      3.300     3.300     2.700 peak   694 spectrum    1 weight  0.11000E+01 volume  0.47806E-03 ppm1      8.722 ppm2      1.833 CV     1
 ASSI {  695}
   (( segid "tbr1" and resid 60   and name HN  ))
   (( segid "tbr1" and resid 59   and name HB1 ))
      4.000     2.000     2.000 peak   695 spectrum    1 weight  0.11000E+01 volume  0.94138E-03 ppm1      8.720 ppm2      1.627 CV     1
 ASSI {  696}
   (( segid "tbr1" and resid 60   and name HN  ))
   (  segid "tbr1" and resid 61   and name HG1%)
      4.200     2.200     1.800 peak   696 spectrum    1 weight  0.11000E+01 volume  0.73926E-03 ppm1      8.723 ppm2      0.868 CV     1
 ASSI {  697}
   (( segid "tbr1" and resid 60   and name HN  ))
   (  segid "tbr1" and resid 61   and name HG2%)
      4.500     2.600     1.500 peak   697 spectrum    1 weight  0.11000E+01 volume  0.36763E-03 ppm1      8.721 ppm2      0.946 CV     1
 ASSI {  699}
   (( segid "tbr1" and resid 61   and name HN  ))
   (( segid "tbr1" and resid 63   and name HN  ))
      4.400     2.400     1.600 peak   699 spectrum    1 weight  0.11000E+01 volume  0.32144E-03 ppm1      8.363 ppm2      7.563 CV     1
 ASSI {  700}
   (( segid "tbr1" and resid 61   and name HN  ))
   (  segid "tbr1" and resid 60   and name HD% )
      3.800     1.800     1.800 peak   700 spectrum    1 weight  0.11000E+01 volume  0.46757E-03 ppm1      8.365 ppm2      7.363 CV     1
 ASSI {  702}
   (( segid "tbr1" and resid 61   and name HN  ))
   (( segid "tbr1" and resid 60   and name HA  ))
      4.100     2.100     1.900 peak   702 spectrum    1 weight  0.11000E+01 volume  0.27461E-03 ppm1      8.366 ppm2      4.378 CV     1
 ASSI {  703}
   (( segid "tbr1" and resid 61   and name HN  ))
   (( segid "tbr1" and resid 59   and name HA  ))
      3.700     1.700     1.700 peak   703 spectrum    1 weight  0.11000E+01 volume  0.58910E-03 ppm1      8.367 ppm2      4.270 CV     1
 ASSI {  704}
   (( segid "tbr1" and resid 61   and name HN  ))
   (( segid "tbr1" and resid 60   and name HB1 ))
      3.700     1.700     1.700 peak   704 spectrum    1 weight  0.11000E+01 volume  0.87984E-03 ppm1      8.368 ppm2      3.368 CV     1
 ASSI {  706}
   (( segid "tbr1" and resid 61   and name HN  ))
   (( segid "tbr1" and resid 62   and name HB2 ))
      4.800     2.900     1.200 peak   706 spectrum    1 weight  0.11000E+01 volume  0.32986E-03 ppm1      8.366 ppm2      2.780 CV     1
 ASSI {  707}
   (( segid "tbr1" and resid 61   and name HN  ))
   (( segid "tbr1" and resid 59   and name HB2 ))
      3.500     1.500     1.500 peak   707 spectrum    1 weight  0.11000E+01 volume  0.48750E-03 ppm1      8.370 ppm2      1.984 CV     1
 ASSI {  708}
   (( segid "tbr1" and resid 61   and name HN  ))
   (( segid "tbr1" and resid 59   and name HB1 ))
      3.700     1.700     1.700 peak   708 spectrum    1 weight  0.11000E+01 volume  0.76235E-03 ppm1      8.367 ppm2      1.610 CV     1
 ASSI {  710}
   (( segid "tbr1" and resid 62   and name HN  ))
   (( segid "tbr1" and resid 60   and name HN  ))
      4.100     2.100     1.900 peak   710 spectrum    1 weight  0.11000E+01 volume  0.45640E-03 ppm1      7.064 ppm2      8.725 CV     1
 ASSI {  712}
   (( segid "tbr1" and resid 62   and name HN  ))
   (( segid "tbr1" and resid 60   and name HA  ))
      3.800     1.800     1.800 peak   712 spectrum    1 weight  0.11000E+01 volume  0.49518E-03 ppm1      7.068 ppm2      4.383 CV     1
 ASSI {  713}
   (( segid "tbr1" and resid 62   and name HN  ))
   (( segid "tbr1" and resid 61   and name HA  ))
      3.200     1.300     1.300 peak   713 spectrum    1 weight  0.11000E+01 volume  0.13147E-02 ppm1      7.066 ppm2      3.995 CV     1
 ASSI {  714}
   (( segid "tbr1" and resid 62   and name HN  ))
   (( segid "tbr1" and resid 60   and name HB1 ))
      3.400     3.400     2.600 peak   714 spectrum    1 weight  0.11000E+01 volume  0.41228E-03 ppm1      7.064 ppm2      3.370 CV     1
 ASSI {  715}
   (( segid "tbr1" and resid 62   and name HN  ))
   (( segid "tbr1" and resid 61   and name HB  ))
      3.900     1.900     1.900 peak   715 spectrum    1 weight  0.11000E+01 volume  0.33184E-03 ppm1      7.066 ppm2      2.124 CV     1
 ASSI {  716}
   (( segid "tbr1" and resid 62   and name HN  ))
   (( segid "tbr1" and resid 59   and name HB2 ))
      3.500     1.500     1.500 peak   716 spectrum    1 weight  0.10000E+01 volume  0.44423E-03 ppm1      7.064 ppm2      1.985 CV     1
 ASSI {  717}
   (( segid "tbr1" and resid 62   and name HN  ))
   (( segid "tbr1" and resid 59   and name HG1 ))
      3.400     3.400     2.600 peak   717 spectrum    1 weight  0.10000E+01 volume  0.38101E-03 ppm1      7.064 ppm2      1.822 CV     1
 ASSI {  718}
   (( segid "tbr1" and resid 62   and name HN  ))
   (( segid "tbr1" and resid 59   and name HB1 ))
      3.800     1.800     1.800 peak   718 spectrum    1 weight  0.10000E+01 volume  0.13164E-02 ppm1      7.064 ppm2      1.620 CV     1
 ASSI {  719}
   (( segid "tbr1" and resid 62   and name HN  ))
   (  segid "tbr1" and resid 63   and name HB% )
      4.100     2.100     1.900 peak   719 spectrum    1 weight  0.11000E+01 volume  0.74186E-03 ppm1      7.068 ppm2      1.337 CV     1
 ASSI {  720}
   (( segid "tbr1" and resid 62   and name HN  ))
   (  segid "tbr1" and resid 74   and name HG2%)
      4.300     2.300     1.700 peak   720 spectrum    1 weight  0.11000E+01 volume  0.53822E-03 ppm1      7.063 ppm2      1.057 CV     1
 ASSI {  721}
   (( segid "tbr1" and resid 62   and name HN  ))
   (  segid "tbr1" and resid 61   and name HG1%)
      3.300     1.400     1.400 peak   721 spectrum    1 weight  0.11000E+01 volume  0.13003E-02 ppm1      7.066 ppm2      0.860 CV     1
 ASSI {  722}
   (( segid "tbr1" and resid 63   and name HN  ))
   (  segid "tbr1" and resid 61   and name HG1%)
      3.200     3.200     2.800 peak   722 spectrum    1 weight  0.11000E+01 volume  0.56227E-03 ppm1      7.576 ppm2      0.852 CV     1
 ASSI {  723}
   (( segid "tbr1" and resid 63   and name HN  ))
   (  segid "tbr1" and resid 61   and name HG2%)
      3.300     1.400     1.400 peak   723 spectrum    1 weight  0.11000E+01 volume  0.44966E-03 ppm1      7.575 ppm2      0.945 CV     1
 ASSI {  724}
   (( segid "tbr1" and resid 63   and name HN  ))
   (  segid "tbr1" and resid 74   and name HG2%)
      4.300     2.300     1.700 peak   724 spectrum    1 weight  0.11000E+01 volume  0.36044E-03 ppm1      7.577 ppm2      1.044 CV     1
 ASSI {  725}
   (( segid "tbr1" and resid 63   and name HN  ))
   (( segid "tbr1" and resid 58   and name HG2 ))
      3.600     3.600     2.400 peak   725 spectrum    1 weight  0.10000E+01 volume  0.30071E-03 ppm1      7.581 ppm2      1.439 CV     1
 OR {  725}
   (( segid "tbr1" and resid 63   and name HN  ))
   (( segid "tbr1" and resid 58   and name HG1 ))
 ASSI {  727}
   (( segid "tbr1" and resid 63   and name HN  ))
   (( segid "tbr1" and resid 62   and name HB2 ))
      3.700     1.700     1.700 peak   727 spectrum    1 weight  0.11000E+01 volume  0.13524E-02 ppm1      7.575 ppm2      2.783 CV     1
 ASSI {  728}
   (( segid "tbr1" and resid 63   and name HN  ))
   (( segid "tbr1" and resid 62   and name HB1 ))
      3.800     1.800     1.800 peak   728 spectrum    1 weight  0.11000E+01 volume  0.58077E-03 ppm1      7.574 ppm2      3.266 CV     1
 ASSI {  729}
   (( segid "tbr1" and resid 63   and name HN  ))
   (( segid "tbr1" and resid 64   and name HD1 ))
      3.300     1.300     1.300 peak   729 spectrum    1 weight  0.11000E+01 volume  0.64461E-03 ppm1      7.577 ppm2      3.640 CV     1
 ASSI {  730}
   (( segid "tbr1" and resid 63   and name HN  ))
   (( segid "tbr1" and resid 64   and name HD2 ))
      4.200     4.200     1.800 peak   730 spectrum    1 weight  0.11000E+01 volume  0.10941E-02 ppm1      7.578 ppm2      3.776 CV     1
 ASSI {  731}
   (( segid "tbr1" and resid 63   and name HN  ))
   (( segid "tbr1" and resid 61   and name HA  ))
      3.500     1.500     1.500 peak   731 spectrum    1 weight  0.11000E+01 volume  0.82313E-03 ppm1      7.576 ppm2      3.993 CV     1
 ASSI {  732}
   (( segid "tbr1" and resid 63   and name HN  ))
   (( segid "tbr1" and resid 60   and name HA  ))
      3.000     1.100     1.100 peak   732 spectrum    1 weight  0.11000E+01 volume  0.14506E-02 ppm1      7.576 ppm2      4.387 CV     1
 ASSI {  734}
   (( segid "tbr1" and resid 63   and name HN  ))
   (  segid "tbr1" and resid 60   and name HD% )
      3.600     1.600     1.600 peak   734 spectrum    1 weight  0.11000E+01 volume  0.64886E-03 ppm1      7.579 ppm2      7.368 CV     1
 ASSI {  736}
   (( segid "tbr1" and resid 76   and name HN  ))
   (( segid "tbr1" and resid 76   and name HB2 ))
      3.400     1.400     1.400 peak   736 spectrum    1 weight  0.11000E+01 volume  0.97995E-03 ppm1      8.292 ppm2      3.413 CV     1
 ASSI {  737}
   (( segid "tbr1" and resid 76   and name HN  ))
   (( segid "tbr1" and resid 76   and name HB1 ))
      3.100     1.200     1.200 peak   737 spectrum    1 weight  0.11000E+01 volume  0.19437E-02 ppm1      8.292 ppm2      3.040 CV     1
 ASSI {  738}
   (( segid "tbr1" and resid 76   and name HN  ))
   (( segid "tbr1" and resid 76   and name HA  ))
      3.300     1.300     1.300 peak   738 spectrum    1 weight  0.11000E+01 volume  0.98477E-03 ppm1      8.291 ppm2      5.577 CV     1
 ASSI {  739}
   (( segid "tbr1" and resid 76   and name HN  ))
   (  segid "tbr1" and resid 75   and name HD% )
      4.000     2.000     2.000 peak   739 spectrum    1 weight  0.11000E+01 volume  0.86963E-03 ppm1      8.290 ppm2      6.864 CV     1
 ASSI {  742}
   (( segid "tbr1" and resid 76   and name HN  ))
   (( segid "tbr1" and resid 75   and name HB2 ))
      3.900     1.900     1.900 peak   742 spectrum    1 weight  0.11000E+01 volume  0.14002E-02 ppm1      8.290 ppm2      2.820 CV     1
 ASSI {  743}
   (( segid "tbr1" and resid 71   and name HN  ))
   (( segid "tbr1" and resid 70   and name HB2 ))
      3.600     1.600     1.600 peak   743 spectrum    1 weight  0.11000E+01 volume  0.87509E-03 ppm1      8.288 ppm2      3.749 CV     1
 OR {  743}
   (( segid "tbr1" and resid 71   and name HN  ))
   (( segid "tbr1" and resid 70   and name HB1 ))
 ASSI {  744}
   (( segid "tbr1" and resid 71   and name HN  ))
   (( segid "tbr1" and resid 71   and name HA  ))
      3.300     1.300     1.300 peak   744 spectrum    1 weight  0.11000E+01 volume  0.10051E-02 ppm1      8.293 ppm2      4.332 CV     1
 ASSI {  745}
   (( segid "tbr1" and resid 41   and name HN  ))
   (( segid "tbr1" and resid 40   and name HB1 ))
      4.900     4.900     1.100 peak   745 spectrum    1 weight  0.11000E+01 volume  0.39225E-03 ppm1      8.293 ppm2      1.668 CV     1
 ASSI {  746}
   (( segid "tbr1" and resid 41   and name HN  ))
   (( segid "tbr1" and resid 40   and name HB2 ))
      3.000     3.000     3.000 peak   746 spectrum    1 weight  0.11000E+01 volume  0.95559E-03 ppm1      8.296 ppm2      1.778 CV     1
 ASSI {  747}
   (( segid "tbr1" and resid 71   and name HN  ))
   (  segid "tbr1" and resid 73   and name HG2%)
      4.200     4.200     1.800 peak   747 spectrum    1 weight  0.11000E+01 volume  0.51652E-03 ppm1      8.292 ppm2      1.090 CV     1
 ASSI {  748}
   (( segid "tbr1" and resid 41   and name HN  ))
   (  segid "tbr1" and resid 41   and name HG1%)
      4.100     4.100     1.900 peak   748 spectrum    1 weight  0.11000E+01 volume  0.43027E-03 ppm1      8.295 ppm2      0.713 CV     1
 ASSI {  750}
   (( segid "tbr1" and resid 71   and name HN  ))
   (( segid "tbr1" and resid 36   and name HN  ))
      3.900     1.900     1.900 peak   750 spectrum    1 weight  0.11000E+01 volume  0.51863E-03 ppm1      8.292 ppm2      8.973 CV     1
 ASSI {  751}
   (( segid "tbr1" and resid 71   and name HN  ))
   (( segid "tbr1" and resid 72   and name HN  ))
      4.200     2.200     1.800 peak   751 spectrum    1 weight  0.11000E+01 volume  0.40909E-03 ppm1      8.290 ppm2      8.543 CV     1
 ASSI {  753}
   (( segid "tbr1" and resid 72   and name HN  ))
   (  segid "tbr1" and resid 71   and name HG2%)
      4.200     2.200     1.800 peak   753 spectrum    1 weight  0.11000E+01 volume  0.11427E-02 ppm1      8.539 ppm2      0.948 CV     1
 ASSI {  754}
   (( segid "tbr1" and resid 72   and name HN  ))
   (  segid "tbr1" and resid 72   and name HG2%)
      4.100     2.100     1.900 peak   754 spectrum    1 weight  0.11000E+01 volume  0.93307E-03 ppm1      8.536 ppm2      1.127 CV     1
 ASSI {  755}
   (( segid "tbr1" and resid 72   and name HN  ))
   (( segid "tbr1" and resid 71   and name HB  ))
      4.100     2.100     1.900 peak   755 spectrum    1 weight  0.11000E+01 volume  0.65146E-03 ppm1      8.538 ppm2      2.159 CV     1
 ASSI {  756}
   (( segid "tbr1" and resid 72   and name HN  ))
   (( segid "tbr1" and resid 35   and name HA  ))
      4.300     2.300     1.700 peak   756 spectrum    1 weight  0.11000E+01 volume  0.41704E-03 ppm1      8.539 ppm2      5.052 CV     1
 ASSI {  757}
   (( segid "tbr1" and resid 72   and name HN  ))
   (( segid "tbr1" and resid 72   and name HA  ))
      3.200     1.200     1.200 peak   757 spectrum    1 weight  0.11000E+01 volume  0.11054E-02 ppm1      8.538 ppm2      5.153 CV     1
 ASSI {  758}
   (( segid "tbr1" and resid 72   and name HN  ))
   (( segid "tbr1" and resid 73   and name HN  ))
      4.300     2.300     1.700 peak   758 spectrum    1 weight  0.11000E+01 volume  0.49074E-03 ppm1      8.538 ppm2      8.737 CV     1
 ASSI {  760}
   (( segid "tbr1" and resid 73   and name HN  ))
   (( segid "tbr1" and resid 36   and name HN  ))
      4.600     2.700     1.400 peak   760 spectrum    1 weight  0.11000E+01 volume  0.32173E-03 ppm1      8.724 ppm2      8.981 CV     1
 ASSI {  762}
   (( segid "tbr1" and resid 73   and name HN  ))
   (( segid "tbr1" and resid 35   and name HA  ))
      3.900     1.900     1.900 peak   762 spectrum    1 weight  0.11000E+01 volume  0.82586E-03 ppm1      8.728 ppm2      5.046 CV     1
 ASSI {  763}
   (( segid "tbr1" and resid 73   and name HN  ))
   (( segid "tbr1" and resid 73   and name HA  ))
      3.300     1.400     1.400 peak   763 spectrum    1 weight  0.11000E+01 volume  0.87363E-03 ppm1      8.720 ppm2      4.488 CV     1
 ASSI {  765}
   (( segid "tbr1" and resid 73   and name HN  ))
   (( segid "tbr1" and resid 34   and name HB  ))
      3.600     1.600     1.600 peak   765 spectrum    1 weight  0.11000E+01 volume  0.61704E-03 ppm1      8.727 ppm2      1.885 CV     1
 ASSI {  767}
   (( segid "tbr1" and resid 73   and name HN  ))
   (  segid "tbr1" and resid 71   and name HG1%)
      4.200     2.200     1.800 peak   767 spectrum    1 weight  0.11000E+01 volume  0.28401E-03 ppm1      8.723 ppm2      0.941 CV     1
 ASSI {  768}
   (( segid "tbr1" and resid 73   and name HN  ))
   (  segid "tbr1" and resid 34   and name HG2%)
      4.900     3.000     1.100 peak   768 spectrum    1 weight  0.11000E+01 volume  0.24445E-03 ppm1      8.725 ppm2      0.727 CV     1
 ASSI {  769}
   (( segid "tbr1" and resid 74   and name HN  ))
   (  segid "tbr1" and resid 74   and name HG2%)
      3.800     1.800     1.800 peak   769 spectrum    1 weight  0.11000E+01 volume  0.51973E-03 ppm1      8.200 ppm2      1.026 CV     1
 ASSI {  773}
   (( segid "tbr1" and resid 74   and name HN  ))
   (( segid "tbr1" and resid 74   and name HB  ))
      3.400     1.400     1.400 peak   773 spectrum    1 weight  0.11000E+01 volume  0.14649E-02 ppm1      8.204 ppm2      3.765 CV     1
 ASSI {  774}
   (( segid "tbr1" and resid 74   and name HN  ))
   (( segid "tbr1" and resid 73   and name HB  ))
      4.100     2.100     1.900 peak   774 spectrum    1 weight  0.11000E+01 volume  0.57662E-03 ppm1      8.201 ppm2      3.987 CV     1
 ASSI {  776}
   (( segid "tbr1" and resid 74   and name HN  ))
   (( segid "tbr1" and resid 74   and name HA  ))
      3.200     1.300     1.300 peak   776 spectrum    1 weight  0.11000E+01 volume  0.99714E-03 ppm1      8.205 ppm2      4.675 CV     1
 ASSI {  778}
   (( segid "tbr1" and resid 74   and name HN  ))
   (( segid "tbr1" and resid 75   and name HA  ))
      4.100     2.100     1.900 peak   778 spectrum    1 weight  0.11000E+01 volume  0.36368E-03 ppm1      8.212 ppm2      4.859 CV     1
 ASSI {  779}
   (( segid "tbr1" and resid 74   and name HN  ))
   (( segid "tbr1" and resid 90   and name HN  ))
      3.200     3.200     2.800 peak   779 spectrum    1 weight  0.11000E+01 volume  0.51778E-03 ppm1      8.204 ppm2      8.104 CV     1
 ASSI {  781}
   (( segid "tbr1" and resid 74   and name HN  ))
   (( segid "tbr1" and resid 75   and name HN  ))
      4.500     2.500     1.500 peak   781 spectrum    1 weight  0.11000E+01 volume  0.41930E-03 ppm1      8.205 ppm2      8.592 CV     1
 ASSI {  782}
   (( segid "tbr1" and resid 74   and name HN  ))
   (( segid "tbr1" and resid 73   and name HN  ))
      4.400     2.500     1.600 peak   782 spectrum    1 weight  0.11000E+01 volume  0.33383E-03 ppm1      8.208 ppm2      8.709 CV     1
 ASSI {  784}
   (( segid "tbr1" and resid 75   and name HN  ))
   (( segid "tbr1" and resid 76   and name HN  ))
      4.400     2.400     1.600 peak   784 spectrum    1 weight  0.11000E+01 volume  0.34944E-03 ppm1      8.576 ppm2      8.298 CV     1
 ASSI {  785}
   (( segid "tbr1" and resid 75   and name HN  ))
   (  segid "tbr1" and resid 75   and name HD% )
      3.800     1.800     1.800 peak   785 spectrum    1 weight  0.11000E+01 volume  0.60410E-03 ppm1      8.572 ppm2      6.864 CV     1
 ASSI {  787}
   (( segid "tbr1" and resid 75   and name HN  ))
   (( segid "tbr1" and resid 33   and name HA  ))
      3.700     1.700     1.700 peak   787 spectrum    1 weight  0.11000E+01 volume  0.97970E-03 ppm1      8.572 ppm2      5.276 CV     1
 ASSI {  788}
   (( segid "tbr1" and resid 75   and name HN  ))
   (( segid "tbr1" and resid 75   and name HA  ))
      3.100     1.200     1.200 peak   788 spectrum    1 weight  0.11000E+01 volume  0.12252E-02 ppm1      8.573 ppm2      4.860 CV     1
 ASSI {  790}
   (( segid "tbr1" and resid 75   and name HN  ))
   (( segid "tbr1" and resid 74   and name HB  ))
      3.400     1.500     1.500 peak   790 spectrum    1 weight  0.11000E+01 volume  0.99080E-03 ppm1      8.573 ppm2      3.766 CV     1
 ASSI {  791}
   (( segid "tbr1" and resid 75   and name HN  ))
   (( segid "tbr1" and resid 75   and name HB1 ))
      3.200     1.300     1.300 peak   791 spectrum    1 weight  0.11000E+01 volume  0.13006E-02 ppm1      8.573 ppm2      2.804 CV     1
 OR {  791}
   (( segid "tbr1" and resid 75   and name HN  ))
   (( segid "tbr1" and resid 75   and name HB2 ))
 ASSI {  792}
   (( segid "tbr1" and resid 75   and name HN  ))
   (( segid "tbr1" and resid 32   and name HB  ))
      3.800     1.800     1.800 peak   792 spectrum    1 weight  0.11000E+01 volume  0.38750E-03 ppm1      8.581 ppm2      2.292 CV     1
 ASSI {  793}
   (( segid "tbr1" and resid 75   and name HN  ))
   (  segid "tbr1" and resid 74   and name HG2%)
      3.700     1.800     1.800 peak   793 spectrum    1 weight  0.11000E+01 volume  0.14083E-02 ppm1      8.574 ppm2      1.042 CV     1
 ASSI {  794}
   (( segid "tbr1" and resid 75   and name HN  ))
   (  segid "tbr1" and resid 32   and name HG2%)
      3.400     1.500     1.500 peak   794 spectrum    1 weight  0.11000E+01 volume  0.13707E-02 ppm1      8.573 ppm2      0.790 CV     1
 ASSI {  796}
   (( segid "tbr1" and resid 76   and name HN  ))
   (( segid "tbr1" and resid 77   and name HN  ))
      4.600     2.700     1.400 peak   796 spectrum    1 weight  0.11000E+01 volume  0.32465E-03 ppm1      8.293 ppm2      9.061 CV     1
 ASSI {  797}
   (( segid "tbr1" and resid 77   and name HN  ))
   (( segid "tbr1" and resid 10   and name HG  ))
      4.300     2.300     1.700 peak   797 spectrum    1 weight  0.10000E+01 volume  0.33661E-03 ppm1      9.068 ppm2      0.731 CV     1
 ASSI {  798}
   (( segid "tbr1" and resid 77   and name HN  ))
   (  segid "tbr1" and resid 29   and name HD1%)
      3.200     1.300     1.300 peak   798 spectrum    1 weight  0.11000E+01 volume  0.12719E-02 ppm1      9.066 ppm2      0.845 CV     1
 ASSI {  799}
   (( segid "tbr1" and resid 77   and name HN  ))
   (( segid "tbr1" and resid 29   and name HB2 ))
      3.400     1.500     1.500 peak   799 spectrum    1 weight  0.11000E+01 volume  0.72397E-03 ppm1      9.063 ppm2      1.415 CV     1
 ASSI {  800}
   (( segid "tbr1" and resid 77   and name HN  ))
   (( segid "tbr1" and resid 29   and name HB1 ))
      4.300     2.300     1.700 peak   800 spectrum    1 weight  0.11000E+01 volume  0.67271E-03 ppm1      9.066 ppm2      1.683 CV     1
 ASSI {  801}
   (( segid "tbr1" and resid 77   and name HN  ))
   (( segid "tbr1" and resid 31   and name HB1 ))
      3.500     3.500     2.500 peak   801 spectrum    1 weight  0.11000E+01 volume  0.35697E-03 ppm1      9.062 ppm2      2.836 CV     1
 ASSI {  802}
   (( segid "tbr1" and resid 77   and name HN  ))
   (( segid "tbr1" and resid 77   and name HB1 ))
      3.300     1.400     1.400 peak   802 spectrum    1 weight  0.11000E+01 volume  0.10507E-02 ppm1      9.065 ppm2      2.943 CV     1
 ASSI {  803}
   (( segid "tbr1" and resid 77   and name HN  ))
   (( segid "tbr1" and resid 76   and name HB1 ))
      3.400     1.500     1.500 peak   803 spectrum    1 weight  0.11000E+01 volume  0.17939E-02 ppm1      9.067 ppm2      3.046 CV     1
 ASSI {  804}
   (( segid "tbr1" and resid 77   and name HN  ))
   (( segid "tbr1" and resid 76   and name HB2 ))
      3.300     1.400     1.400 peak   804 spectrum    1 weight  0.11000E+01 volume  0.17500E-02 ppm1      9.065 ppm2      3.414 CV     1
 ASSI {  805}
   (( segid "tbr1" and resid 77   and name HN  ))
   (( segid "tbr1" and resid 77   and name HA  ))
      3.000     1.100     1.100 peak   805 spectrum    1 weight  0.11000E+01 volume  0.17461E-02 ppm1      9.064 ppm2      4.934 CV     1
 ASSI {  806}
   (( segid "tbr1" and resid 77   and name HN  ))
   (( segid "tbr1" and resid 30   and name HN  ))
      3.000     1.100     1.100 peak   806 spectrum    1 weight  0.11000E+01 volume  0.14189E-02 ppm1      9.066 ppm2      8.359 CV     1
 ASSI {  809}
   (( segid "tbr1" and resid 78   and name HN  ))
   (( segid "tbr1" and resid 78   and name HB1 ))
      3.600     1.600     1.600 peak   809 spectrum    1 weight  0.11000E+01 volume  0.11943E-02 ppm1      8.401 ppm2      2.514 CV     1
 ASSI {  810}
   (( segid "tbr1" and resid 78   and name HN  ))
   (( segid "tbr1" and resid 79   and name HG2 ))
      4.100     2.100     1.900 peak   810 spectrum    1 weight  0.11000E+01 volume  0.39990E-03 ppm1      8.398 ppm2      2.394 CV     1
 OR {  810}
   (( segid "tbr1" and resid 78   and name HN  ))
   (( segid "tbr1" and resid 79   and name HG1 ))
 ASSI {  811}
   (( segid "tbr1" and resid 78   and name HN  ))
   (( segid "tbr1" and resid 77   and name HB1 ))
      3.500     1.600     1.600 peak   811 spectrum    1 weight  0.11000E+01 volume  0.14856E-02 ppm1      8.401 ppm2      2.939 CV     1
 ASSI {  812}
   (( segid "tbr1" and resid 78   and name HN  ))
   (( segid "tbr1" and resid 78   and name HB2 ))
      3.000     1.200     1.200 peak   812 spectrum    1 weight  0.11000E+01 volume  0.12762E-02 ppm1      8.400 ppm2      3.053 CV     1
 ASSI {  815}
   (( segid "tbr1" and resid 78   and name HN  ))
   (( segid "tbr1" and resid 78   and name HD21))
      4.500     2.600     1.500 peak   815 spectrum    1 weight  0.11000E+01 volume  0.31167E-03 ppm1      8.398 ppm2      6.719 CV     1
 ASSI {  816}
   (( segid "tbr1" and resid 78   and name HN  ))
   (( segid "tbr1" and resid 78   and name HD22))
      4.800     2.900     1.200 peak   816 spectrum    1 weight  0.11000E+01 volume  0.32281E-03 ppm1      8.396 ppm2      7.486 CV     1
 ASSI {  817}
   (( segid "tbr1" and resid 79   and name HN  ))
   (  segid "tbr1" and resid 10   and name HD1%)
      3.000     1.100     1.100 peak   817 spectrum    1 weight  0.11000E+01 volume  0.19732E-02 ppm1      7.325 ppm2      0.709 CV     1
 ASSI {  818}
   (( segid "tbr1" and resid 79   and name HN  ))
   (  segid "tbr1" and resid 29   and name HD1%)
      3.200     3.200     2.800 peak   818 spectrum    1 weight  0.10000E+01 volume  0.55603E-03 ppm1      7.324 ppm2      0.829 CV     1
 ASSI {  819}
   (( segid "tbr1" and resid 79   and name HN  ))
   (( segid "tbr1" and resid 79   and name HB2 ))
      2.900     1.000     1.000 peak   819 spectrum    1 weight  0.11000E+01 volume  0.15713E-02 ppm1      7.326 ppm2      2.098 CV     1
 ASSI {  820}
   (( segid "tbr1" and resid 79   and name HN  ))
   (( segid "tbr1" and resid 79   and name HG2 ))
      3.200     1.300     1.300 peak   820 spectrum    1 weight  0.11000E+01 volume  0.17934E-02 ppm1      7.326 ppm2      2.384 CV     1
 OR {  820}
   (( segid "tbr1" and resid 79   and name HN  ))
   (( segid "tbr1" and resid 79   and name HG1 ))
 ASSI {  821}
   (( segid "tbr1" and resid 79   and name HN  ))
   (( segid "tbr1" and resid 78   and name HB1 ))
      4.100     2.100     1.900 peak   821 spectrum    1 weight  0.11000E+01 volume  0.45491E-03 ppm1      7.325 ppm2      2.508 CV     1
 ASSI {  822}
   (( segid "tbr1" and resid 79   and name HN  ))
   (( segid "tbr1" and resid 77   and name HB1 ))
      4.200     2.200     1.800 peak   822 spectrum    1 weight  0.11000E+01 volume  0.43947E-03 ppm1      7.328 ppm2      2.928 CV     1
 ASSI {  823}
   (( segid "tbr1" and resid 79   and name HN  ))
   (( segid "tbr1" and resid 78   and name HB2 ))
      4.100     2.100     1.900 peak   823 spectrum    1 weight  0.11000E+01 volume  0.47733E-03 ppm1      7.324 ppm2      3.051 CV     1
 ASSI {  825}
   (( segid "tbr1" and resid 79   and name HN  ))
   (( segid "tbr1" and resid 82   and name HB2 ))
      4.600     2.600     1.400 peak   825 spectrum    1 weight  0.11000E+01 volume  0.26459E-03 ppm1      7.327 ppm2      3.585 CV     1
 ASSI {  826}
   (( segid "tbr1" and resid 79   and name HN  ))
   (( segid "tbr1" and resid 79   and name HE22))
      4.500     2.600     1.500 peak   826 spectrum    1 weight  0.11000E+01 volume  0.43986E-03 ppm1      7.321 ppm2      7.488 CV     1
 ASSI {  827}
   (( segid "tbr1" and resid 79   and name HN  ))
   (( segid "tbr1" and resid 79   and name HE21))
      4.500     2.600     1.500 peak   827 spectrum    1 weight  0.11000E+01 volume  0.23832E-03 ppm1      7.326 ppm2      6.861 CV     1
 ASSI {  829}
   (( segid "tbr1" and resid 79   and name HN  ))
   (( segid "tbr1" and resid 7    and name HN  ))
      4.100     2.100     1.900 peak   829 spectrum    1 weight  0.10000E+01 volume  0.35935E-03 ppm1      7.322 ppm2      8.504 CV     1
 ASSI {  831}
   (( segid "tbr1" and resid 80   and name HN  ))
   (( segid "tbr1" and resid 79   and name HB1 ))
      3.200     1.200     1.200 peak   831 spectrum    1 weight  0.11000E+01 volume  0.10361E-02 ppm1      8.450 ppm2      1.828 CV     1
 ASSI {  833}
   (( segid "tbr1" and resid 80   and name HN  ))
   (( segid "tbr1" and resid 79   and name HN  ))
      4.600     2.600     1.400 peak   833 spectrum    1 weight  0.11000E+01 volume  0.41601E-03 ppm1      8.449 ppm2      7.328 CV     1
 ASSI {  834}
   (( segid "tbr1" and resid 80   and name HN  ))
   (( segid "tbr1" and resid 81   and name HN  ))
      4.200     2.200     1.800 peak   834 spectrum    1 weight  0.11000E+01 volume  0.66618E-03 ppm1      8.448 ppm2      9.543 CV     1
 ASSI {  836}
   (( segid "tbr1" and resid 81   and name HN  ))
   (  segid "tbr1" and resid 10   and name HD1%)
      3.900     1.900     1.900 peak   836 spectrum    1 weight  0.11000E+01 volume  0.68109E-03 ppm1      9.543 ppm2      0.700 CV     1
 ASSI {  837}
   (( segid "tbr1" and resid 81   and name HN  ))
   (( segid "tbr1" and resid 10   and name HB1 ))
      3.900     1.900     1.900 peak   837 spectrum    1 weight  0.11000E+01 volume  0.32867E-03 ppm1      9.543 ppm2      1.259 CV     1
 ASSI {  839}
   (( segid "tbr1" and resid 81   and name HN  ))
   (( segid "tbr1" and resid 11   and name HB1 ))
      3.900     1.900     1.900 peak   839 spectrum    1 weight  0.11000E+01 volume  0.28840E-03 ppm1      9.542 ppm2      1.466 CV     1
 ASSI {  840}
   (( segid "tbr1" and resid 81   and name HN  ))
   (( segid "tbr1" and resid 11   and name HB2 ))
      4.200     2.200     1.800 peak   840 spectrum    1 weight  0.11000E+01 volume  0.47414E-03 ppm1      9.544 ppm2      1.663 CV     1
 ASSI {  841}
   (( segid "tbr1" and resid 81   and name HN  ))
   (( segid "tbr1" and resid 80   and name HB1 ))
      3.900     1.900     1.900 peak   841 spectrum    1 weight  0.11000E+01 volume  0.11155E-02 ppm1      9.542 ppm2      2.338 CV     1
 ASSI {  842}
   (( segid "tbr1" and resid 81   and name HN  ))
   (( segid "tbr1" and resid 80   and name HB2 ))
      3.900     1.900     1.900 peak   842 spectrum    1 weight  0.11000E+01 volume  0.57900E-03 ppm1      9.544 ppm2      2.470 CV     1
 ASSI {  843}
   (( segid "tbr1" and resid 81   and name HN  ))
   (( segid "tbr1" and resid 81   and name HB1 ))
      4.500     2.600     1.500 peak   843 spectrum    1 weight  0.11000E+01 volume  0.33669E-03 ppm1      9.543 ppm2      3.122 CV     1
 ASSI {  844}
   (( segid "tbr1" and resid 81   and name HN  ))
   (( segid "tbr1" and resid 81   and name HB2 ))
      3.600     1.600     1.600 peak   844 spectrum    1 weight  0.11000E+01 volume  0.65279E-03 ppm1      9.542 ppm2      3.279 CV     1
 ASSI {  845}
   (( segid "tbr1" and resid 81   and name HN  ))
   (( segid "tbr1" and resid 12   and name HB2 ))
      4.400     2.500     1.600 peak   845 spectrum    1 weight  0.11000E+01 volume  0.29225E-03 ppm1      9.543 ppm2      3.023 CV     1
 ASSI {  850}
   (( segid "tbr1" and resid 81   and name HN  ))
   (( segid "tbr1" and resid 12   and name HN  ))
      3.900     1.900     1.900 peak   850 spectrum    1 weight  0.11000E+01 volume  0.40892E-03 ppm1      9.548 ppm2      9.085 CV     1
 ASSI {  851}
   (( segid "tbr1" and resid 82   and name HN  ))
   (( segid "tbr1" and resid 82   and name HB2 ))
      4.100     2.100     1.900 peak   851 spectrum    1 weight  0.11000E+01 volume  0.41406E-03 ppm1      8.235 ppm2      3.564 CV     1
 ASSI {  852}
   (( segid "tbr1" and resid 82   and name HN  ))
   (( segid "tbr1" and resid 81   and name HA  ))
      3.100     1.200     1.200 peak   852 spectrum    1 weight  0.11000E+01 volume  0.14377E-02 ppm1      8.235 ppm2      3.725 CV     1
 ASSI {  853}
   (( segid "tbr1" and resid 82   and name HN  ))
   (( segid "tbr1" and resid 81   and name HB2 ))
      4.300     2.300     1.700 peak   853 spectrum    1 weight  0.11000E+01 volume  0.39966E-03 ppm1      8.236 ppm2      3.275 CV     1
 ASSI {  854}
   (( segid "tbr1" and resid 82   and name HN  ))
   (( segid "tbr1" and resid 81   and name HB1 ))
      4.300     2.300     1.700 peak   854 spectrum    1 weight  0.11000E+01 volume  0.38750E-03 ppm1      8.236 ppm2      3.129 CV     1
 ASSI {  856}
   (( segid "tbr1" and resid 82   and name HN  ))
   (( segid "tbr1" and resid 79   and name HA  ))
      4.100     2.100     1.900 peak   856 spectrum    1 weight  0.10000E+01 volume  0.44427E-03 ppm1      8.233 ppm2      4.684 CV     1
 ASSI {  858}
   (( segid "tbr1" and resid 82   and name HN  ))
   (( segid "tbr1" and resid 12   and name HA  ))
      3.300     1.400     1.400 peak   858 spectrum    1 weight  0.11000E+01 volume  0.12316E-02 ppm1      8.235 ppm2      4.863 CV     1
 ASSI {  859}
   (( segid "tbr1" and resid 82   and name HN  ))
   (( segid "tbr1" and resid 83   and name HB1 ))
      4.300     2.300     1.700 peak   859 spectrum    1 weight  0.11000E+01 volume  0.40465E-03 ppm1      8.230 ppm2      2.317 CV     1
 ASSI {  860}
   (( segid "tbr1" and resid 82   and name HN  ))
   (( segid "tbr1" and resid 79   and name HB2 ))
      4.600     2.600     1.400 peak   860 spectrum    1 weight  0.10000E+01 volume  0.27381E-03 ppm1      8.234 ppm2      2.087 CV     1
 ASSI {  861}
   (( segid "tbr1" and resid 82   and name HN  ))
   (( segid "tbr1" and resid 79   and name HB1 ))
      4.100     2.100     1.900 peak   861 spectrum    1 weight  0.10000E+01 volume  0.58252E-03 ppm1      8.233 ppm2      1.818 CV     1
 ASSI {  863}
   (( segid "tbr1" and resid 82   and name HN  ))
   (( segid "tbr1" and resid 79   and name HN  ))
      3.800     1.800     1.800 peak   863 spectrum    1 weight  0.10000E+01 volume  0.69485E-03 ppm1      8.236 ppm2      7.327 CV     1
 ASSI {  864}
   (( segid "tbr1" and resid 82   and name HN  ))
   (( segid "tbr1" and resid 83   and name HN  ))
      2.800     1.000     1.000 peak   864 spectrum    1 weight  0.11000E+01 volume  0.25611E-02 ppm1      8.234 ppm2      9.072 CV     1
 ASSI {  865}
   (( segid "tbr1" and resid 82   and name HN  ))
   (( segid "tbr1" and resid 81   and name HN  ))
      2.900     1.100     1.100 peak   865 spectrum    1 weight  0.11000E+01 volume  0.19451E-02 ppm1      8.234 ppm2      9.543 CV     1
 ASSI {  866}
   (( segid "tbr1" and resid 82   and name HN  ))
   (( segid "tbr1" and resid 80   and name HN  ))
      4.200     2.200     1.800 peak   866 spectrum    1 weight  0.10000E+01 volume  0.29159E-03 ppm1      8.235 ppm2      8.410 CV     1
 ASSI {  867}
   (( segid "tbr1" and resid 91   and name HN  ))
   (  segid "tbr1" and resid 91   and name HG2%)
      3.500     1.600     1.600 peak   867 spectrum    1 weight  0.11000E+01 volume  0.67360E-03 ppm1      7.750 ppm2      0.868 CV     1
 ASSI {  868}
   (( segid "tbr1" and resid 91   and name HN  ))
   (  segid "tbr1" and resid 90   and name HG2%)
      4.000     2.000     2.000 peak   868 spectrum    1 weight  0.11000E+01 volume  0.70691E-03 ppm1      7.743 ppm2      1.171 CV     1
 ASSI {  869}
   (( segid "tbr1" and resid 91   and name HN  ))
   (( segid "tbr1" and resid 91   and name HB  ))
      3.600     1.700     1.700 peak   869 spectrum    1 weight  0.11000E+01 volume  0.73634E-03 ppm1      7.745 ppm2      2.060 CV     1
 ASSI {  870}
   (( segid "tbr1" and resid 91   and name HN  ))
   (( segid "tbr1" and resid 90   and name HB  ))
      4.300     2.300     1.700 peak   870 spectrum    1 weight  0.11000E+01 volume  0.50244E-03 ppm1      7.746 ppm2      4.206 CV     1
 ASSI {  871}
   (( segid "tbr1" and resid 91   and name HN  ))
   (( segid "tbr1" and resid 91   and name HA  ))
      3.700     1.700     1.700 peak   871 spectrum    1 weight  0.11000E+01 volume  0.42878E-03 ppm1      7.736 ppm2      4.040 CV     1
 ASSI {  873}
   (( segid "tbr1" and resid 87   and name HN  ))
   (( segid "tbr1" and resid 86   and name HB2 ))
      3.600     1.600     1.600 peak   873 spectrum    1 weight  0.11000E+01 volume  0.12153E-02 ppm1      8.350 ppm2      1.853 CV     1
 ASSI {  874}
   (( segid "tbr1" and resid 87   and name HN  ))
   (( segid "tbr1" and resid 86   and name HB1 ))
      3.900     1.900     1.900 peak   874 spectrum    1 weight  0.11000E+01 volume  0.10081E-02 ppm1      8.353 ppm2      1.733 CV     1
 ASSI {  875}
   (( segid "tbr1" and resid 87   and name HN  ))
   (( segid "tbr1" and resid 87   and name HB1 ))
      3.400     1.500     1.500 peak   875 spectrum    1 weight  0.11000E+01 volume  0.15022E-02 ppm1      8.351 ppm2      1.435 CV     1
 ASSI {  876}
   (( segid "tbr1" and resid 87   and name HN  ))
   (  segid "tbr1" and resid 87   and name HD1%)
      4.300     2.300     1.700 peak   876 spectrum    1 weight  0.11000E+01 volume  0.32927E-03 ppm1      8.352 ppm2      0.706 CV     1
 ASSI {  877}
   (( segid "tbr1" and resid 87   and name HN  ))
   (  segid "tbr1" and resid 87   and name HD2%)
      3.700     1.700     1.700 peak   877 spectrum    1 weight  0.11000E+01 volume  0.78468E-03 ppm1      8.351 ppm2      0.766 CV     1
 ASSI {  878}
   (( segid "tbr1" and resid 87   and name HN  ))
   (( segid "tbr1" and resid 86   and name HG2 ))
      4.200     2.200     1.800 peak   878 spectrum    1 weight  0.11000E+01 volume  0.34627E-03 ppm1      8.352 ppm2      2.075 CV     1
 ASSI {  879}
   (( segid "tbr1" and resid 87   and name HN  ))
   (( segid "tbr1" and resid 86   and name HG1 ))
      4.500     2.500     1.500 peak   879 spectrum    1 weight  0.11000E+01 volume  0.27584E-03 ppm1      8.351 ppm2      1.988 CV     1
 ASSI {  881}
   (( segid "tbr1" and resid 87   and name HN  ))
   (( segid "tbr1" and resid 88   and name HD1 ))
      4.700     2.700     1.300 peak   881 spectrum    1 weight  0.11000E+01 volume  0.33989E-03 ppm1      8.353 ppm2      3.745 CV     1
 ASSI {  882}
   (( segid "tbr1" and resid 87   and name HN  ))
   (( segid "tbr1" and resid 88   and name HD2 ))
      4.900     4.900     1.100 peak   882 spectrum    1 weight  0.11000E+01 volume  0.30204E-03 ppm1      8.349 ppm2      3.567 CV     1
 ASSI {  884}
   (( segid "tbr1" and resid 87   and name HN  ))
   (( segid "tbr1" and resid 75   and name HA  ))
      3.500     3.500     2.500 peak   884 spectrum    1 weight  0.10000E+01 volume  0.31974E-03 ppm1      8.355 ppm2      4.853 CV     1
 ASSI {  886}
   (( segid "tbr1" and resid 86   and name HN  ))
   (  segid "tbr1" and resid 85   and name HG2%)
      3.700     1.700     1.700 peak   886 spectrum    1 weight  0.11000E+01 volume  0.12096E-02 ppm1      8.301 ppm2      0.671 CV     1
 ASSI {  887}
   (( segid "tbr1" and resid 86   and name HN  ))
   (( segid "tbr1" and resid 85   and name HG11))
      4.300     2.300     1.700 peak   887 spectrum    1 weight  0.11000E+01 volume  0.38871E-03 ppm1      8.291 ppm2      0.889 CV     1
 ASSI {  888}
   (( segid "tbr1" and resid 86   and name HN  ))
   (( segid "tbr1" and resid 85   and name HB  ))
      3.200     1.300     1.300 peak   888 spectrum    1 weight  0.11000E+01 volume  0.14793E-02 ppm1      8.300 ppm2      1.572 CV     1
 ASSI {  889}
   (( segid "tbr1" and resid 86   and name HN  ))
   (( segid "tbr1" and resid 86   and name HB2 ))
      3.200     1.300     1.300 peak   889 spectrum    1 weight  0.11000E+01 volume  0.19472E-02 ppm1      8.302 ppm2      1.851 CV     1
 ASSI {  891}
   (( segid "tbr1" and resid 86   and name HN  ))
   (  segid "tbr1" and resid 85   and name HD1%)
      3.500     1.500     1.500 peak   891 spectrum    1 weight  0.11000E+01 volume  0.34497E-03 ppm1      8.300 ppm2      0.526 CV     1
 ASSI {  892}
   (( segid "tbr1" and resid 86   and name HN  ))
   (( segid "tbr1" and resid 84   and name HG2 ))
      3.400     3.400     2.600 peak   892 spectrum    1 weight  0.11000E+01 volume  0.37736E-03 ppm1      8.303 ppm2      0.983 CV     1
 ASSI {  893}
   (( segid "tbr1" and resid 86   and name HN  ))
   (( segid "tbr1" and resid 85   and name HN  ))
      4.000     2.000     2.000 peak   893 spectrum    1 weight  0.11000E+01 volume  0.49203E-03 ppm1      8.297 ppm2      7.965 CV     1
 ASSI {  895}
   (( segid "tbr1" and resid 85   and name HN  ))
   (( segid "tbr1" and resid 84   and name HB2 ))
      4.600     2.700     1.400 peak   895 spectrum    1 weight  0.11000E+01 volume  0.27143E-03 ppm1      7.968 ppm2      1.772 CV     1
 ASSI {  896}
   (( segid "tbr1" and resid 85   and name HN  ))
   (( segid "tbr1" and resid 85   and name HB  ))
      4.000     2.000     2.000 peak   896 spectrum    1 weight  0.11000E+01 volume  0.45142E-03 ppm1      7.966 ppm2      1.574 CV     1
 ASSI {  897}
   (( segid "tbr1" and resid 85   and name HN  ))
   (( segid "tbr1" and resid 84   and name HB1 ))
      4.000     2.000     2.000 peak   897 spectrum    1 weight  0.11000E+01 volume  0.33329E-03 ppm1      7.968 ppm2      1.408 CV     1
 ASSI {  898}
   (( segid "tbr1" and resid 85   and name HN  ))
   (( segid "tbr1" and resid 85   and name HG12))
      4.000     2.000     2.000 peak   898 spectrum    1 weight  0.11000E+01 volume  0.46084E-03 ppm1      7.968 ppm2      1.147 CV     1
 ASSI {  899}
   (( segid "tbr1" and resid 85   and name HN  ))
   (( segid "tbr1" and resid 85   and name HG11))
      3.800     1.800     1.800 peak   899 spectrum    1 weight  0.11000E+01 volume  0.51111E-03 ppm1      7.968 ppm2      0.921 CV     1
 ASSI {  900}
   (( segid "tbr1" and resid 85   and name HN  ))
   (  segid "tbr1" and resid 87   and name HD2%)
      3.900     3.900     2.100 peak   900 spectrum    1 weight  0.11000E+01 volume  0.50603E-03 ppm1      7.972 ppm2      0.789 CV     1
 ASSI {  901}
   (( segid "tbr1" and resid 85   and name HN  ))
   (  segid "tbr1" and resid 85   and name HG2%)
      4.400     2.400     1.600 peak   901 spectrum    1 weight  0.11000E+01 volume  0.33622E-03 ppm1      7.968 ppm2      0.668 CV     1
 ASSI {  902}
   (( segid "tbr1" and resid 84   and name HN  ))
   (( segid "tbr1" and resid 83   and name HN  ))
      3.200     1.300     1.300 peak   902 spectrum    1 weight  0.11000E+01 volume  0.13461E-02 ppm1      7.572 ppm2      9.073 CV     1
 ASSI {  903}
   (( segid "tbr1" and resid 84   and name HN  ))
   (( segid "tbr1" and resid 85   and name HN  ))
      4.000     2.000     2.000 peak   903 spectrum    1 weight  0.11000E+01 volume  0.44254E-03 ppm1      7.570 ppm2      7.960 CV     1
 ASSI {  905}
   (( segid "tbr1" and resid 84   and name HN  ))
   (( segid "tbr1" and resid 12   and name HB2 ))
      3.300     3.300     2.700 peak   905 spectrum    1 weight  0.11000E+01 volume  0.47554E-03 ppm1      7.581 ppm2      2.983 CV     1
 ASSI {  906}
   (( segid "tbr1" and resid 84   and name HN  ))
   (( segid "tbr1" and resid 83   and name HB2 ))
      3.800     1.800     1.800 peak   906 spectrum    1 weight  0.11000E+01 volume  0.55115E-03 ppm1      7.571 ppm2      2.847 CV     1
 ASSI {  907}
   (( segid "tbr1" and resid 84   and name HN  ))
   (( segid "tbr1" and resid 83   and name HB1 ))
      4.000     2.000     2.000 peak   907 spectrum    1 weight  0.11000E+01 volume  0.41068E-03 ppm1      7.579 ppm2      2.307 CV     1
 ASSI {  908}
   (( segid "tbr1" and resid 84   and name HN  ))
   (( segid "tbr1" and resid 84   and name HG2 ))
      4.100     2.100     1.900 peak   908 spectrum    1 weight  0.11000E+01 volume  0.74231E-03 ppm1      7.571 ppm2      0.977 CV     1
 ASSI {  909}
   (( segid "tbr1" and resid 84   and name HN  ))
   (  segid "tbr1" and resid 32   and name HG2%)
      3.200     1.300     1.300 peak   909 spectrum    1 weight  0.11000E+01 volume  0.13265E-02 ppm1      7.571 ppm2      0.779 CV     1
 ASSI {  910}
   (( segid "tbr1" and resid 83   and name HN  ))
   (( segid "tbr1" and resid 81   and name HN  ))
      4.800     2.900     1.200 peak   910 spectrum    1 weight  0.11000E+01 volume  0.29581E-03 ppm1      9.069 ppm2      9.528 CV     1
 ASSI {  913}
   (( segid "tbr1" and resid 83   and name HN  ))
   (  segid "tbr1" and resid 13   and name HD% )
      4.200     2.200     1.800 peak   913 spectrum    1 weight  0.11000E+01 volume  0.38926E-03 ppm1      9.070 ppm2      7.367 CV     1
 ASSI {  914}
   (( segid "tbr1" and resid 83   and name HN  ))
   (( segid "tbr1" and resid 81   and name HA  ))
      3.500     1.500     1.500 peak   914 spectrum    1 weight  0.10000E+01 volume  0.79128E-03 ppm1      9.072 ppm2      3.731 CV     1
 ASSI {  915}
   (( segid "tbr1" and resid 83   and name HN  ))
   (( segid "tbr1" and resid 83   and name HB1 ))
      3.400     1.500     1.500 peak   915 spectrum    1 weight  0.11000E+01 volume  0.72524E-03 ppm1      9.070 ppm2      2.314 CV     1
 ASSI {  916}
   (( segid "tbr1" and resid 83   and name HN  ))
   (  segid "tbr1" and resid 32   and name HG2%)
      4.500     2.500     1.500 peak   916 spectrum    1 weight  0.11000E+01 volume  0.39638E-03 ppm1      9.071 ppm2      0.774 CV     1
 ASSI {  917}
   (( segid "tbr1" and resid 83   and name HN  ))
   (( segid "tbr1" and resid 83   and name HB2 ))
      3.800     1.800     1.800 peak   917 spectrum    1 weight  0.11000E+01 volume  0.69980E-03 ppm1      9.073 ppm2      2.846 CV     1
 ASSI {  918}
   (( segid "tbr1" and resid 83   and name HN  ))
   (( segid "tbr1" and resid 13   and name HB2 ))
      2.900     2.900     3.100 peak   918 spectrum    1 weight  0.11000E+01 volume  0.10333E-02 ppm1      9.070 ppm2      2.978 CV     1
 ASSI {  919}
   (( segid "tbr1" and resid 27   and name HN  ))
   (( segid "tbr1" and resid 28   and name HA2 ))
      5.400     3.600     0.600 peak   919 spectrum    1 weight  0.11000E+01 volume  0.24446E-03 ppm1      8.096 ppm2      4.142 CV     1
 OR {  919}
   (( segid "tbr1" and resid 27   and name HN  ))
   (( segid "tbr1" and resid 28   and name HA1 ))
 ASSI {  924}
   (( segid "tbr1" and resid 44   and name HD21))
   (( segid "tbr1" and resid 42   and name HB  ))
      3.500     3.500     2.500 peak   924 spectrum    1 weight  0.11000E+01 volume  0.35412E-03 ppm1      7.425 ppm2      1.646 CV     1
 ASSI {  925}
   (( segid "tbr1" and resid 44   and name HD21))
   (  segid "tbr1" and resid 42   and name HG2%)
      4.200     2.200     1.800 peak   925 spectrum    1 weight  0.11000E+01 volume  0.30708E-03 ppm1      7.427 ppm2      0.820 CV     1
 ASSI {  926}
   (( segid "tbr1" and resid 44   and name HD21))
   (( segid "tbr1" and resid 44   and name HB1 ))
      3.400     1.500     1.500 peak   926 spectrum    1 weight  0.11000E+01 volume  0.85288E-03 ppm1      7.427 ppm2      2.675 CV     1
 ASSI {  927}
   (( segid "tbr1" and resid 44   and name HD21))
   (( segid "tbr1" and resid 44   and name HB2 ))
      3.200     1.300     1.300 peak   927 spectrum    1 weight  0.11000E+01 volume  0.92539E-03 ppm1      7.428 ppm2      2.985 CV     1
 ASSI {  930}
   (( segid "tbr1" and resid 45   and name HN  ))
   (( segid "tbr1" and resid 15   and name HB2 ))
      4.000     4.000     2.000 peak   930 spectrum    1 weight  0.11000E+01 volume  0.32801E-03 ppm1      9.542 ppm2      3.322 CV     1
 ASSI {  931}
   (( segid "tbr1" and resid 45   and name HN  ))
   (( segid "tbr1" and resid 45   and name HB1 ))
      4.000     4.000     2.000 peak   931 spectrum    1 weight  0.11000E+01 volume  0.30737E-03 ppm1      9.540 ppm2      4.016 CV     1
 ASSI {    4}
   (( segid "tbr1" and resid 13   and name HA  ))
   (( segid "tbr1" and resid 13   and name HB2 ))
      2.900     2.900     3.100 peak     4 spectrum    1 weight  0.11000E+01 volume  0.13807E-02 ppm1      5.002 ppm2      3.011 CV     1
 ASSI {    5}
   (( segid "tbr1" and resid 18   and name HA  ))
   (  segid "tbr1" and resid 18   and name HG2%)
      2.600     0.800     0.800 peak     5 spectrum    1 weight  0.11000E+01 volume  0.53426E-02 ppm1      2.933 ppm2      1.294 CV     1
 ASSI {    6}
   (( segid "tbr1" and resid 13   and name HA  ))
   (( segid "tbr1" and resid 13   and name HB1 ))
      3.600     1.600     1.600 peak     6 spectrum    1 weight  0.11000E+01 volume  0.84641E-03 ppm1      5.009 ppm2      2.802 CV     1
 ASSI {    7}
   (( segid "tbr1" and resid 13   and name HA  ))
   (  segid "tbr1" and resid 23   and name HG2%)
      4.400     2.400     1.600 peak     7 spectrum    1 weight  0.11000E+01 volume  0.76825E-03 ppm1      5.021 ppm2      1.274 CV     1
 ASSI {    9}
   (( segid "tbr1" and resid 15   and name HA  ))
   (  segid "tbr1" and resid 16   and name HD1%)
      3.700     3.700     2.300 peak     9 spectrum    1 weight  0.11000E+01 volume  0.10506E-02 ppm1      4.197 ppm2      0.821 CV     1
 ASSI {   10}
   (( segid "tbr1" and resid 15   and name HA  ))
   (  segid "tbr1" and resid 18   and name HG2%)
      3.700     3.700     2.300 peak    10 spectrum    1 weight  0.10000E+01 volume  0.64410E-03 ppm1      4.197 ppm2      1.258 CV     1
 ASSI {   11}
   (( segid "tbr1" and resid 15   and name HA  ))
   (( segid "tbr1" and resid 44   and name HB1 ))
      3.700     3.700     2.300 peak    11 spectrum    1 weight  0.10000E+01 volume  0.90649E-03 ppm1      4.204 ppm2      2.638 CV     1
 ASSI {   12}
   (( segid "tbr1" and resid 15   and name HA  ))
   (( segid "tbr1" and resid 17   and name HB1 ))
      4.000     4.000     2.000 peak    12 spectrum    1 weight  0.11000E+01 volume  0.99549E-03 ppm1      4.193 ppm2      3.055 CV     1
 ASSI {   13}
   (( segid "tbr1" and resid 15   and name HA  ))
   (( segid "tbr1" and resid 15   and name HB1 ))
      3.000     1.100     1.100 peak    13 spectrum    1 weight  0.11000E+01 volume  0.24254E-02 ppm1      4.191 ppm2      3.195 CV     1
 ASSI {   14}
   (( segid "tbr1" and resid 15   and name HA  ))
   (( segid "tbr1" and resid 15   and name HB2 ))
      3.000     1.100     1.100 peak    14 spectrum    1 weight  0.11000E+01 volume  0.18462E-02 ppm1      4.191 ppm2      3.313 CV     1
 ASSI {   15}
   (( segid "tbr1" and resid 15   and name HA  ))
   (( segid "tbr1" and resid 14   and name HA  ))
      3.300     1.400     1.400 peak    15 spectrum    1 weight  0.11000E+01 volume  0.18959E-02 ppm1      4.193 ppm2      4.687 CV     1
 ASSI {   17}
   (( segid "tbr1" and resid 15   and name HA  ))
   (( segid "tbr1" and resid 15   and name HD2 ))
      3.200     1.300     1.300 peak    17 spectrum    1 weight  0.11000E+01 volume  0.15930E-02 ppm1      4.195 ppm2      7.164 CV     1
 ASSI {   18}
   (( segid "tbr1" and resid 18   and name HA  ))
   (( segid "tbr1" and resid 19   and name HG1 ))
      3.700     1.700     1.700 peak    18 spectrum    1 weight  0.10000E+01 volume  0.11859E-02 ppm1      2.935 ppm2      1.412 CV     1
 ASSI {   20}
   (( segid "tbr1" and resid 18   and name HA  ))
   (( segid "tbr1" and resid 19   and name HA  ))
      3.700     1.700     1.700 peak    20 spectrum    1 weight  0.11000E+01 volume  0.54952E-03 ppm1      2.931 ppm2      4.218 CV     1
 ASSI {   22}
   (( segid "tbr1" and resid 18   and name HB  ))
   (  segid "tbr1" and resid 22   and name HE% )
      3.500     3.500     2.500 peak    22 spectrum    1 weight  0.10000E+01 volume  0.10037E-02 ppm1      4.105 ppm2      7.384 CV     1
 ASSI {   23}
   (( segid "tbr1" and resid 18   and name HB  ))
   (( segid "tbr1" and resid 18   and name HA  ))
      2.400     0.700     0.700 peak    23 spectrum    1 weight  0.11000E+01 volume  0.63712E-02 ppm1      4.098 ppm2      2.930 CV     1
 ASSI {   24}
   (( segid "tbr1" and resid 18   and name HB  ))
   (( segid "tbr1" and resid 17   and name HB2 ))
      4.100     2.100     1.900 peak    24 spectrum    1 weight  0.10000E+01 volume  0.12078E-02 ppm1      4.103 ppm2      2.812 CV     1
 ASSI {   26}
   (( segid "tbr1" and resid 18   and name HB  ))
   (  segid "tbr1" and resid 18   and name HG2%)
      2.100     0.600     0.600 peak    26 spectrum    1 weight  0.10000E+01 volume  0.13645E-01 ppm1      4.098 ppm2      1.293 CV     1
 ASSI {   28}
   (( segid "tbr1" and resid 22   and name HA  ))
   (( segid "tbr1" and resid 22   and name HB2 ))
      3.300     1.300     1.300 peak    28 spectrum    1 weight  0.11000E+01 volume  0.10174E-02 ppm1      4.086 ppm2      3.138 CV     1
 OR {   28}
   (( segid "tbr1" and resid 22   and name HA  ))
   (( segid "tbr1" and resid 22   and name HB1 ))
 ASSI {   30}
   (( segid "tbr1" and resid 22   and name HA  ))
   (  segid "tbr1" and resid 22   and name HD% )
      3.300     1.400     1.400 peak    30 spectrum    1 weight  0.11000E+01 volume  0.95604E-03 ppm1      4.100 ppm2      7.196 CV     1
 ASSI {   31}
   (( segid "tbr1" and resid 23   and name HA  ))
   (  segid "tbr1" and resid 23   and name HG2%)
      2.800     1.000     1.000 peak    31 spectrum    1 weight  0.11000E+01 volume  0.53102E-02 ppm1      5.618 ppm2      1.279 CV     1
 ASSI {   33}
   (( segid "tbr1" and resid 23   and name HA  ))
   (( segid "tbr1" and resid 13   and name HA  ))
      3.200     1.300     1.300 peak    33 spectrum    1 weight  0.11000E+01 volume  0.15701E-02 ppm1      5.615 ppm2      5.008 CV     1
 ASSI {   35}
   (( segid "tbr1" and resid 23   and name HB  ))
   (( segid "tbr1" and resid 23   and name HA  ))
      2.400     0.700     0.700 peak    35 spectrum    1 weight  0.11000E+01 volume  0.40915E-02 ppm1      4.105 ppm2      5.615 CV     1
 ASSI {   38}
   (( segid "tbr1" and resid 23   and name HB  ))
   (( segid "tbr1" and resid 13   and name HA  ))
      3.300     1.400     1.400 peak    38 spectrum    1 weight  0.11000E+01 volume  0.63371E-03 ppm1      4.109 ppm2      5.020 CV     1
 ASSI {   39}
   (( segid "tbr1" and resid 23   and name HB  ))
   (( segid "tbr1" and resid 14   and name HA  ))
      4.200     2.200     1.800 peak    39 spectrum    1 weight  0.11000E+01 volume  0.98655E-03 ppm1      4.104 ppm2      4.690 CV     1
 ASSI {   42}
   (( segid "tbr1" and resid 23   and name HB  ))
   (( segid "tbr1" and resid 11   and name HG1 ))
      4.300     2.300     1.700 peak    42 spectrum    1 weight  0.11000E+01 volume  0.85237E-03 ppm1      4.104 ppm2      2.000 CV     1
 ASSI {   43}
   (( segid "tbr1" and resid 23   and name HB  ))
   (( segid "tbr1" and resid 11   and name HG2 ))
      4.100     2.100     1.900 peak    43 spectrum    1 weight  0.11000E+01 volume  0.58372E-03 ppm1      4.110 ppm2      2.335 CV     1
 ASSI {   44}
   (( segid "tbr1" and resid 23   and name HB  ))
   (  segid "tbr1" and resid 23   and name HG2%)
      2.100     0.500     0.500 peak    44 spectrum    1 weight  0.11000E+01 volume  0.12605E-01 ppm1      4.105 ppm2      1.281 CV     1
 ASSI {   45}
   (( segid "tbr1" and resid 25   and name HA  ))
   (  segid "tbr1" and resid 25   and name HG1%)
      2.500     0.800     0.800 peak    45 spectrum    1 weight  0.11000E+01 volume  0.65140E-02 ppm1      5.260 ppm2      0.806 CV     1
 OR {   45}
   (( segid "tbr1" and resid 25   and name HA  ))
   (  segid "tbr1" and resid 25   and name HG2%)
 ASSI {   46}
   (( segid "tbr1" and resid 25   and name HA  ))
   (( segid "tbr1" and resid 10   and name HB1 ))
      3.900     1.900     1.900 peak    46 spectrum    1 weight  0.11000E+01 volume  0.73768E-03 ppm1      5.249 ppm2      1.241 CV     1
 ASSI {   47}
   (( segid "tbr1" and resid 25   and name HA  ))
   (( segid "tbr1" and resid 11   and name HB2 ))
      3.500     1.500     1.500 peak    47 spectrum    1 weight  0.11000E+01 volume  0.10396E-02 ppm1      5.264 ppm2      1.670 CV     1
 ASSI {   49}
   (( segid "tbr1" and resid 25   and name HA  ))
   (( segid "tbr1" and resid 11   and name HG1 ))
      3.100     1.200     1.200 peak    49 spectrum    1 weight  0.11000E+01 volume  0.10262E-02 ppm1      5.252 ppm2      2.001 CV     1
 ASSI {   50}
   (( segid "tbr1" and resid 25   and name HA  ))
   (( segid "tbr1" and resid 11   and name HA  ))
      2.400     0.700     0.700 peak    50 spectrum    1 weight  0.11000E+01 volume  0.40658E-02 ppm1      5.258 ppm2      5.047 CV     1
 ASSI {   53}
   (( segid "tbr1" and resid 26   and name HA  ))
   (  segid "tbr1" and resid 26   and name HG2%)
      2.800     1.000     1.000 peak    53 spectrum    1 weight  0.11000E+01 volume  0.47383E-02 ppm1      4.845 ppm2      0.872 CV     1
 ASSI {   54}
   (( segid "tbr1" and resid 26   and name HA  ))
   (  segid "tbr1" and resid 25   and name HG2%)
      3.400     1.500     1.500 peak    54 spectrum    1 weight  0.11000E+01 volume  0.98788E-03 ppm1      4.844 ppm2      0.771 CV     1
 ASSI {   56}
   (( segid "tbr1" and resid 26   and name HA  ))
   (( segid "tbr1" and resid 47   and name HB2 ))
      3.700     1.700     1.700 peak    56 spectrum    1 weight  0.11000E+01 volume  0.11176E-02 ppm1      4.848 ppm2      2.698 CV     1
 ASSI {   57}
   (( segid "tbr1" and resid 26   and name HA  ))
   (( segid "tbr1" and resid 47   and name HB1 ))
      4.200     2.200     1.800 peak    57 spectrum    1 weight  0.11000E+01 volume  0.10469E-02 ppm1      4.846 ppm2      3.168 CV     1
 ASSI {   58}
   (( segid "tbr1" and resid 26   and name HA  ))
   (( segid "tbr1" and resid 26   and name HB  ))
      2.400     0.700     0.700 peak    58 spectrum    1 weight  0.11000E+01 volume  0.49973E-02 ppm1      4.845 ppm2      3.650 CV     1
 ASSI {   59}
   (( segid "tbr1" and resid 26   and name HB  ))
   (  segid "tbr1" and resid 25   and name HG2%)
      2.700     2.700     3.300 peak    59 spectrum    1 weight  0.11000E+01 volume  0.13787E-02 ppm1      3.655 ppm2      0.761 CV     1
 ASSI {   60}
   (( segid "tbr1" and resid 26   and name HB  ))
   (  segid "tbr1" and resid 26   and name HG2%)
      2.300     0.700     0.700 peak    60 spectrum    1 weight  0.11000E+01 volume  0.63522E-02 ppm1      3.656 ppm2      0.875 CV     1
 ASSI {   65}
   (( segid "tbr1" and resid 26   and name HB  ))
   (( segid "tbr1" and resid 47   and name HA  ))
      3.300     1.400     1.400 peak    65 spectrum    1 weight  0.11000E+01 volume  0.14605E-02 ppm1      3.657 ppm2      4.938 CV     1
 ASSI {   67}
   (( segid "tbr1" and resid 32   and name HA  ))
   (  segid "tbr1" and resid 32   and name HG2%)
      3.100     1.200     1.200 peak    67 spectrum    1 weight  0.11000E+01 volume  0.13951E-02 ppm1      5.362 ppm2      0.787 CV     1
 ASSI {   68}
   (( segid "tbr1" and resid 32   and name HA  ))
   (  segid "tbr1" and resid 32   and name HG1%)
      2.600     0.900     0.900 peak    68 spectrum    1 weight  0.11000E+01 volume  0.31601E-02 ppm1      5.361 ppm2      0.949 CV     1
 ASSI {   69}
   (( segid "tbr1" and resid 32   and name HA  ))
   (( segid "tbr1" and resid 32   and name HB  ))
      3.100     1.200     1.200 peak    69 spectrum    1 weight  0.11000E+01 volume  0.14288E-02 ppm1      5.364 ppm2      2.308 CV     1
 ASSI {   70}
   (( segid "tbr1" and resid 32   and name HA  ))
   (( segid "tbr1" and resid 31   and name HB1 ))
      3.500     1.600     1.600 peak    70 spectrum    1 weight  0.11000E+01 volume  0.76660E-03 ppm1      5.368 ppm2      2.838 CV     1
 ASSI {   77}
   (( segid "tbr1" and resid 32   and name HA  ))
   (  segid "tbr1" and resid 31   and name HD% )
      3.300     1.400     1.400 peak    77 spectrum    1 weight  0.11000E+01 volume  0.10597E-02 ppm1      5.357 ppm2      7.067 CV     1
 ASSI {   79}
   (( segid "tbr1" and resid 33   and name HB1 ))
   (  segid "tbr1" and resid 31   and name HE% )
      3.100     3.100     2.900 peak    79 spectrum    1 weight  0.11000E+01 volume  0.12557E-02 ppm1      3.699 ppm2      7.217 CV     1
 ASSI {   80}
   (( segid "tbr1" and resid 33   and name HB1 ))
   (( segid "tbr1" and resid 33   and name HA  ))
      2.700     0.900     0.900 peak    80 spectrum    1 weight  0.11000E+01 volume  0.30683E-02 ppm1      3.699 ppm2      5.278 CV     1
 ASSI {   81}
   (( segid "tbr1" and resid 33   and name HB1 ))
   (( segid "tbr1" and resid 74   and name HA  ))
      3.600     1.600     1.600 peak    81 spectrum    1 weight  0.11000E+01 volume  0.11747E-02 ppm1      3.692 ppm2      4.659 CV     1
 ASSI {   82}
   (( segid "tbr1" and resid 33   and name HB2 ))
   (  segid "tbr1" and resid 31   and name HE% )
      3.300     3.300     2.700 peak    82 spectrum    1 weight  0.11000E+01 volume  0.18260E-02 ppm1      3.776 ppm2      7.214 CV     1
 ASSI {   84}
   (( segid "tbr1" and resid 33   and name HB2 ))
   (( segid "tbr1" and resid 33   and name HA  ))
      2.500     0.800     0.800 peak    84 spectrum    1 weight  0.11000E+01 volume  0.35767E-02 ppm1      3.768 ppm2      5.275 CV     1
 ASSI {   85}
   (( segid "tbr1" and resid 33   and name HB2 ))
   (( segid "tbr1" and resid 74   and name HA  ))
      3.500     1.600     1.600 peak    85 spectrum    1 weight  0.11000E+01 volume  0.14533E-02 ppm1      3.771 ppm2      4.663 CV     1
 ASSI {   86}
   (( segid "tbr1" and resid 33   and name HB2 ))
   (  segid "tbr1" and resid 74   and name HG2%)
      2.900     1.100     1.100 peak    86 spectrum    1 weight  0.11000E+01 volume  0.27866E-02 ppm1      3.766 ppm2      1.025 CV     1
 ASSI {   87}
   (( segid "tbr1" and resid 33   and name HB2 ))
   (  segid "tbr1" and resid 72   and name HG2%)
      2.700     0.900     0.900 peak    87 spectrum    1 weight  0.11000E+01 volume  0.32188E-02 ppm1      3.768 ppm2      1.127 CV     1
 ASSI {   88}
   (( segid "tbr1" and resid 33   and name HB1 ))
   (  segid "tbr1" and resid 74   and name HG2%)
      2.800     1.000     1.000 peak    88 spectrum    1 weight  0.11000E+01 volume  0.27976E-02 ppm1      3.695 ppm2      1.025 CV     1
 ASSI {   89}
   (( segid "tbr1" and resid 33   and name HB1 ))
   (  segid "tbr1" and resid 72   and name HG2%)
      3.100     1.200     1.200 peak    89 spectrum    1 weight  0.11000E+01 volume  0.26296E-02 ppm1      3.698 ppm2      1.130 CV     1
 ASSI {   90}
   (( segid "tbr1" and resid 33   and name HB1 ))
   (( segid "tbr1" and resid 33   and name HB2 ))
      2.000     0.500     0.500 peak    90 spectrum    1 weight  0.11000E+01 volume  0.66929E-02 ppm1      3.700 ppm2      3.762 CV     1
 ASSI {   92}
   (( segid "tbr1" and resid 34   and name HA  ))
   (( segid "tbr1" and resid 43   and name HD2 ))
      3.800     1.800     1.800 peak    92 spectrum    1 weight  0.11000E+01 volume  0.78805E-03 ppm1      4.746 ppm2      6.713 CV     1
 ASSI {   93}
   (( segid "tbr1" and resid 34   and name HA  ))
   (( segid "tbr1" and resid 43   and name HA  ))
      2.600     0.900     0.900 peak    93 spectrum    1 weight  0.11000E+01 volume  0.26112E-02 ppm1      4.751 ppm2      5.311 CV     1
 ASSI {   94}
   (( segid "tbr1" and resid 34   and name HA  ))
   (( segid "tbr1" and resid 44   and name HA  ))
      3.600     3.600     2.400 peak    94 spectrum    1 weight  0.11000E+01 volume  0.10842E-02 ppm1      4.746 ppm2      4.869 CV     1
 ASSI {   97}
   (( segid "tbr1" and resid 34   and name HA  ))
   (( segid "tbr1" and resid 34   and name HB  ))
      3.000     1.100     1.100 peak    97 spectrum    1 weight  0.11000E+01 volume  0.15193E-02 ppm1      4.753 ppm2      1.885 CV     1
 ASSI {   99}
   (( segid "tbr1" and resid 35   and name HA  ))
   (  segid "tbr1" and resid 71   and name HG1%)
      3.700     1.700     1.700 peak    99 spectrum    1 weight  0.11000E+01 volume  0.10108E-02 ppm1      5.060 ppm2      0.943 CV     1
 OR {   99}
   (( segid "tbr1" and resid 35   and name HA  ))
   (  segid "tbr1" and resid 71   and name HG2%)
 ASSI {  100}
   (( segid "tbr1" and resid 35   and name HA  ))
   (( segid "tbr1" and resid 70   and name HB1 ))
      4.100     2.100     1.900 peak   100 spectrum    1 weight  0.11000E+01 volume  0.49807E-03 ppm1      5.051 ppm2      3.748 CV     1
 OR {  100}
   (( segid "tbr1" and resid 35   and name HA  ))
   (( segid "tbr1" and resid 70   and name HB2 ))
 ASSI {  101}
   (( segid "tbr1" and resid 35   and name HA  ))
   (( segid "tbr1" and resid 35   and name HB  ))
      2.900     1.100     1.100 peak   101 spectrum    1 weight  0.11000E+01 volume  0.19260E-02 ppm1      5.056 ppm2      3.891 CV     1
 ASSI {  102}
   (( segid "tbr1" and resid 35   and name HA  ))
   (( segid "tbr1" and resid 71   and name HA  ))
      3.700     1.700     1.700 peak   102 spectrum    1 weight  0.11000E+01 volume  0.95857E-03 ppm1      5.055 ppm2      4.340 CV     1
 ASSI {  106}
   (( segid "tbr1" and resid 35   and name HA  ))
   (( segid "tbr1" and resid 33   and name HA  ))
      3.900     3.900     2.100 peak   106 spectrum    1 weight  0.11000E+01 volume  0.75017E-03 ppm1      5.060 ppm2      5.264 CV     1
 ASSI {  108}
   (( segid "tbr1" and resid 35   and name HB  ))
   (  segid "tbr1" and resid 42   and name HD1%)
      2.800     1.000     1.000 peak   108 spectrum    1 weight  0.11000E+01 volume  0.37920E-02 ppm1      3.887 ppm2      0.798 CV     1
 OR {  108}
   (( segid "tbr1" and resid 35   and name HB  ))
   (  segid "tbr1" and resid 42   and name HG2%)
 ASSI {  109}
   (( segid "tbr1" and resid 35   and name HB  ))
   (( segid "tbr1" and resid 42   and name HG11))
      3.900     1.900     1.900 peak   109 spectrum    1 weight  0.11000E+01 volume  0.12930E-02 ppm1      3.883 ppm2      1.403 CV     1
 ASSI {  110}
   (( segid "tbr1" and resid 35   and name HB  ))
   (( segid "tbr1" and resid 42   and name HB  ))
      2.300     0.600     0.600 peak   110 spectrum    1 weight  0.11000E+01 volume  0.60053E-02 ppm1      3.888 ppm2      1.686 CV     1
 ASSI {  112}
   (( segid "tbr1" and resid 35   and name HB  ))
   (( segid "tbr1" and resid 41   and name HA  ))
      4.400     4.400     1.600 peak   112 spectrum    1 weight  0.11000E+01 volume  0.54660E-03 ppm1      3.878 ppm2      4.700 CV     1
 ASSI {  114}
   (( segid "tbr1" and resid 37   and name HB  ))
   (  segid "tbr1" and resid 42   and name HD1%)
      3.900     1.900     1.900 peak   114 spectrum    1 weight  0.11000E+01 volume  0.80847E-03 ppm1      4.555 ppm2      0.785 CV     1
 ASSI {  115}
   (( segid "tbr1" and resid 37   and name HB  ))
   (  segid "tbr1" and resid 35   and name HG2%)
      3.800     1.800     1.800 peak   115 spectrum    1 weight  0.11000E+01 volume  0.19458E-02 ppm1      4.553 ppm2      1.068 CV     1
 ASSI {  116}
   (( segid "tbr1" and resid 37   and name HB  ))
   (  segid "tbr1" and resid 37   and name HG2%)
      2.000     0.500     0.500 peak   116 spectrum    1 weight  0.11000E+01 volume  0.16068E-01 ppm1      4.557 ppm2      1.172 CV     1
 ASSI {  117}
   (( segid "tbr1" and resid 37   and name HB  ))
   (  segid "tbr1" and resid 38   and name HG2%)
      3.800     3.800     2.200 peak   117 spectrum    1 weight  0.11000E+01 volume  0.15220E-02 ppm1      4.559 ppm2      1.278 CV     1
 ASSI {  118}
   (( segid "tbr1" and resid 37   and name HB  ))
   (( segid "tbr1" and resid 37   and name HA  ))
      2.200     0.600     0.600 peak   118 spectrum    1 weight  0.11000E+01 volume  0.90560E-02 ppm1      4.557 ppm2      4.877 CV     1
 ASSI {  119}
   (( segid "tbr1" and resid 37   and name HB  ))
   (( segid "tbr1" and resid 39   and name HA  ))
      3.700     3.700     2.300 peak   119 spectrum    1 weight  0.11000E+01 volume  0.16627E-02 ppm1      4.558 ppm2      4.660 CV     1
 ASSI {  120}
   (( segid "tbr1" and resid 37   and name HB  ))
   (( segid "tbr1" and resid 36   and name HA  ))
      3.900     3.900     2.100 peak   120 spectrum    1 weight  0.11000E+01 volume  0.14283E-02 ppm1      4.559 ppm2      4.756 CV     1
 ASSI {  121}
   (( segid "tbr1" and resid 38   and name HA  ))
   (( segid "tbr1" and resid 38   and name HB  ))
      2.200     0.600     0.600 peak   121 spectrum    1 weight  0.11000E+01 volume  0.10706E-01 ppm1      3.964 ppm2      4.172 CV     1
 ASSI {  122}
   (( segid "tbr1" and resid 41   and name HA  ))
   (  segid "tbr1" and resid 41   and name HG1%)
      2.500     0.800     0.800 peak   122 spectrum    1 weight  0.11000E+01 volume  0.48437E-02 ppm1      4.674 ppm2      0.708 CV     1
 ASSI {  123}
   (( segid "tbr1" and resid 41   and name HA  ))
   (  segid "tbr1" and resid 41   and name HG2%)
      2.500     0.800     0.800 peak   123 spectrum    1 weight  0.11000E+01 volume  0.47997E-02 ppm1      4.674 ppm2      0.899 CV     1
 ASSI {  124}
   (( segid "tbr1" and resid 41   and name HA  ))
   (( segid "tbr1" and resid 41   and name HB  ))
      2.900     1.000     1.000 peak   124 spectrum    1 weight  0.11000E+01 volume  0.16721E-02 ppm1      4.675 ppm2      1.881 CV     1
 ASSI {  125}
   (( segid "tbr1" and resid 41   and name HA  ))
   (( segid "tbr1" and resid 36   and name HG2 ))
      3.200     1.300     1.300 peak   125 spectrum    1 weight  0.11000E+01 volume  0.10115E-02 ppm1      4.678 ppm2      2.079 CV     1
 OR {  125}
   (( segid "tbr1" and resid 41   and name HA  ))
   (( segid "tbr1" and resid 36   and name HB1 ))
 ASSI {  126}
   (( segid "tbr1" and resid 41   and name HA  ))
   (( segid "tbr1" and resid 36   and name HG2 ))
      3.500     1.500     1.500 peak   126 spectrum    1 weight  0.11000E+01 volume  0.65711E-03 ppm1      4.667 ppm2      2.161 CV     1
 OR {  126}
   (( segid "tbr1" and resid 41   and name HA  ))
   (( segid "tbr1" and resid 36   and name HG1 ))
 ASSI {  130}
   (( segid "tbr1" and resid 74   and name HA  ))
   (( segid "tbr1" and resid 74   and name HB  ))
      2.500     0.800     0.800 peak   130 spectrum    1 weight  0.11000E+01 volume  0.40431E-02 ppm1      4.664 ppm2      3.747 CV     1
 ASSI {  131}
   (( segid "tbr1" and resid 74   and name HA  ))
   (  segid "tbr1" and resid 74   and name HG2%)
      2.700     0.900     0.900 peak   131 spectrum    1 weight  0.11000E+01 volume  0.28470E-02 ppm1      4.664 ppm2      1.025 CV     1
 ASSI {  132}
   (( segid "tbr1" and resid 74   and name HA  ))
   (  segid "tbr1" and resid 73   and name HG2%)
      2.700     2.700     3.300 peak   132 spectrum    1 weight  0.11000E+01 volume  0.14232E-02 ppm1      4.662 ppm2      1.134 CV     1
 ASSI {  133}
   (( segid "tbr1" and resid 74   and name HA  ))
   (  segid "tbr1" and resid 32   and name HG2%)
      4.000     2.000     2.000 peak   133 spectrum    1 weight  0.11000E+01 volume  0.83404E-03 ppm1      4.663 ppm2      0.793 CV     1
 ASSI {  135}
   (( segid "tbr1" and resid 74   and name HB  ))
   (( segid "tbr1" and resid 33   and name HA  ))
      3.800     1.800     1.800 peak   135 spectrum    1 weight  0.11000E+01 volume  0.99105E-03 ppm1      3.747 ppm2      5.278 CV     1
 ASSI {  138}
   (( segid "tbr1" and resid 74   and name HB  ))
   (( segid "tbr1" and resid 64   and name HD1 ))
      3.300     3.300     2.700 peak   138 spectrum    1 weight  0.11000E+01 volume  0.11996E-02 ppm1      3.746 ppm2      3.639 CV     1
 ASSI {  139}
   (( segid "tbr1" and resid 74   and name HB  ))
   (  segid "tbr1" and resid 74   and name HG2%)
      2.300     0.600     0.600 peak   139 spectrum    1 weight  0.11000E+01 volume  0.85345E-02 ppm1      3.749 ppm2      1.031 CV     1
 ASSI {  141}
   (( segid "tbr1" and resid 74   and name HB  ))
   (  segid "tbr1" and resid 72   and name HG2%)
      3.800     1.800     1.800 peak   141 spectrum    1 weight  0.11000E+01 volume  0.12462E-02 ppm1      3.746 ppm2      1.140 CV     1
 ASSI {  146}
   (( segid "tbr1" and resid 45   and name HB1 ))
   (  segid "tbr1" and resid 13   and name HD% )
      3.200     1.300     1.300 peak   146 spectrum    1 weight  0.10000E+01 volume  0.12739E-02 ppm1      3.994 ppm2      7.363 CV     1
 ASSI {  148}
   (( segid "tbr1" and resid 45   and name HB1 ))
   (  segid "tbr1" and resid 13   and name HE% )
      3.500     1.600     1.600 peak   148 spectrum    1 weight  0.10000E+01 volume  0.73400E-03 ppm1      4.003 ppm2      7.139 CV     1
 ASSI {  149}
   (( segid "tbr1" and resid 45   and name HB1 ))
   (( segid "tbr1" and resid 45   and name HA  ))
      2.900     1.000     1.000 peak   149 spectrum    1 weight  0.11000E+01 volume  0.15693E-02 ppm1      3.995 ppm2      5.723 CV     1
 ASSI {  150}
   (( segid "tbr1" and resid 45   and name HB1 ))
   (  segid "tbr1" and resid 32   and name HG1%)
      2.900     1.100     1.100 peak   150 spectrum    1 weight  0.11000E+01 volume  0.15860E-02 ppm1      3.997 ppm2      0.949 CV     1
 ASSI {  151}
   (( segid "tbr1" and resid 45   and name HB2 ))
   (  segid "tbr1" and resid 32   and name HG2%)
      3.400     1.400     1.400 peak   151 spectrum    1 weight  0.11000E+01 volume  0.93161E-03 ppm1      4.131 ppm2      0.795 CV     1
 ASSI {  152}
   (( segid "tbr1" and resid 45   and name HB2 ))
   (  segid "tbr1" and resid 32   and name HG1%)
      3.300     1.300     1.300 peak   152 spectrum    1 weight  0.11000E+01 volume  0.19593E-02 ppm1      4.129 ppm2      0.957 CV     1
 ASSI {  153}
   (( segid "tbr1" and resid 45   and name HB2 ))
   (( segid "tbr1" and resid 32   and name HB  ))
      3.000     3.000     3.000 peak   153 spectrum    1 weight  0.11000E+01 volume  0.75886E-03 ppm1      4.129 ppm2      2.313 CV     1
 ASSI {  154}
   (( segid "tbr1" and resid 45   and name HB2 ))
   (( segid "tbr1" and resid 83   and name HB2 ))
      3.400     1.400     1.400 peak   154 spectrum    1 weight  0.11000E+01 volume  0.73089E-03 ppm1      4.132 ppm2      2.841 CV     1
 ASSI {  156}
   (( segid "tbr1" and resid 45   and name HB2 ))
   (( segid "tbr1" and resid 45   and name HB1 ))
      2.100     0.600     0.600 peak   156 spectrum    1 weight  0.11000E+01 volume  0.48391E-02 ppm1      4.128 ppm2      3.995 CV     1
 ASSI {  157}
   (( segid "tbr1" and resid 45   and name HB2 ))
   (( segid "tbr1" and resid 14   and name HA  ))
      3.400     1.500     1.500 peak   157 spectrum    1 weight  0.11000E+01 volume  0.64829E-03 ppm1      4.133 ppm2      4.692 CV     1
 ASSI {  158}
   (( segid "tbr1" and resid 45   and name HB2 ))
   (( segid "tbr1" and resid 32   and name HA  ))
      3.700     1.700     1.700 peak   158 spectrum    1 weight  0.11000E+01 volume  0.97399E-03 ppm1      4.129 ppm2      5.372 CV     1
 ASSI {  162}
   (( segid "tbr1" and resid 47   and name HA  ))
   (  segid "tbr1" and resid 48   and name HG2%)
      3.800     1.800     1.800 peak   162 spectrum    1 weight  0.11000E+01 volume  0.22457E-02 ppm1      4.929 ppm2      0.872 CV     1
 ASSI {  164}
   (( segid "tbr1" and resid 47   and name HA  ))
   (( segid "tbr1" and resid 48   and name HG11))
      4.500     2.600     1.500 peak   164 spectrum    1 weight  0.11000E+01 volume  0.64239E-03 ppm1      4.935 ppm2      1.200 CV     1
 ASSI {  165}
   (( segid "tbr1" and resid 47   and name HA  ))
   (( segid "tbr1" and resid 47   and name HB2 ))
      3.000     1.100     1.100 peak   165 spectrum    1 weight  0.11000E+01 volume  0.18045E-02 ppm1      4.924 ppm2      2.701 CV     1
 ASSI {  166}
   (( segid "tbr1" and resid 47   and name HA  ))
   (( segid "tbr1" and resid 12   and name HB2 ))
      3.200     1.300     1.300 peak   166 spectrum    1 weight  0.11000E+01 volume  0.84343E-03 ppm1      4.924 ppm2      3.027 CV     1
 ASSI {  170}
   (( segid "tbr1" and resid 47   and name HA  ))
   (( segid "tbr1" and resid 46   and name HA  ))
      4.000     2.000     2.000 peak   170 spectrum    1 weight  0.11000E+01 volume  0.74681E-03 ppm1      4.923 ppm2      4.820 CV     1
 ASSI {  171}
   (( segid "tbr1" and resid 47   and name HA  ))
   (( segid "tbr1" and resid 11   and name HA  ))
      3.000     3.000     3.000 peak   171 spectrum    1 weight  0.11000E+01 volume  0.79268E-03 ppm1      4.929 ppm2      5.041 CV     1
 ASSI {  173}
   (( segid "tbr1" and resid 48   and name HA  ))
   (  segid "tbr1" and resid 48   and name HD1%)
      2.900     1.000     1.000 peak   173 spectrum    1 weight  0.11000E+01 volume  0.20912E-02 ppm1      4.272 ppm2      0.435 CV     1
 ASSI {  174}
   (( segid "tbr1" and resid 48   and name HA  ))
   (  segid "tbr1" and resid 48   and name HG2%)
      2.700     0.900     0.900 peak   174 spectrum    1 weight  0.11000E+01 volume  0.36862E-02 ppm1      4.266 ppm2      0.860 CV     1
 ASSI {  175}
   (( segid "tbr1" and resid 48   and name HA  ))
   (( segid "tbr1" and resid 48   and name HG12))
      2.700     0.900     0.900 peak   175 spectrum    1 weight  0.11000E+01 volume  0.21141E-02 ppm1      4.268 ppm2      0.964 CV     1
 ASSI {  176}
   (( segid "tbr1" and resid 48   and name HA  ))
   (( segid "tbr1" and resid 48   and name HG11))
      3.800     1.800     1.800 peak   176 spectrum    1 weight  0.11000E+01 volume  0.94087E-03 ppm1      4.269 ppm2      1.185 CV     1
 ASSI {  177}
   (( segid "tbr1" and resid 48   and name HA  ))
   (( segid "tbr1" and resid 48   and name HB  ))
      3.000     1.100     1.100 peak   177 spectrum    1 weight  0.11000E+01 volume  0.14543E-02 ppm1      4.262 ppm2      1.628 CV     1
 ASSI {  179}
   (( segid "tbr1" and resid 50   and name HA  ))
   (  segid "tbr1" and resid 53   and name HD1%)
      2.900     1.000     1.000 peak   179 spectrum    1 weight  0.11000E+01 volume  0.12827E-02 ppm1      3.677 ppm2      0.604 CV     1
 ASSI {  181}
   (( segid "tbr1" and resid 50   and name HA  ))
   (( segid "tbr1" and resid 53   and name HB1 ))
      4.400     2.400     1.600 peak   181 spectrum    1 weight  0.11000E+01 volume  0.67379E-03 ppm1      3.675 ppm2      1.018 CV     1
 ASSI {  182}
   (( segid "tbr1" and resid 50   and name HA  ))
   (( segid "tbr1" and resid 50   and name HB1 ))
      2.600     0.800     0.800 peak   182 spectrum    1 weight  0.11000E+01 volume  0.33033E-02 ppm1      3.678 ppm2      1.804 CV     1
 OR {  182}
   (( segid "tbr1" and resid 50   and name HA  ))
   (( segid "tbr1" and resid 50   and name HB2 ))
 ASSI {  183}
   (( segid "tbr1" and resid 50   and name HA  ))
   (( segid "tbr1" and resid 50   and name HG2 ))
      2.800     1.000     1.000 peak   183 spectrum    1 weight  0.11000E+01 volume  0.19465E-02 ppm1      3.675 ppm2      2.140 CV     1
 OR {  183}
   (( segid "tbr1" and resid 50   and name HA  ))
   (( segid "tbr1" and resid 50   and name HG1 ))
 ASSI {  186}
   (( segid "tbr1" and resid 51   and name HA  ))
   (  segid "tbr1" and resid 51   and name HG2%)
      2.500     0.800     0.800 peak   186 spectrum    1 weight  0.11000E+01 volume  0.65210E-02 ppm1      3.982 ppm2      0.836 CV     1
 OR {  186}
   (( segid "tbr1" and resid 51   and name HA  ))
   (  segid "tbr1" and resid 51   and name HD1%)
 ASSI {  187}
   (( segid "tbr1" and resid 51   and name HA  ))
   (( segid "tbr1" and resid 51   and name HG12))
      3.800     1.800     1.800 peak   187 spectrum    1 weight  0.11000E+01 volume  0.13176E-02 ppm1      3.982 ppm2      1.193 CV     1
 ASSI {  188}
   (( segid "tbr1" and resid 51   and name HA  ))
   (( segid "tbr1" and resid 51   and name HG11))
      3.100     1.200     1.200 peak   188 spectrum    1 weight  0.11000E+01 volume  0.18794E-02 ppm1      3.980 ppm2      1.398 CV     1
 ASSI {  190}
   (( segid "tbr1" and resid 51   and name HA  ))
   (( segid "tbr1" and resid 53   and name HB2 ))
      3.500     1.500     1.500 peak   190 spectrum    1 weight  0.11000E+01 volume  0.64746E-03 ppm1      3.985 ppm2      2.203 CV     1
 ASSI {  192}
   (( segid "tbr1" and resid 55   and name HA  ))
   (  segid "tbr1" and resid 54   and name HG2%)
      2.900     1.100     1.100 peak   192 spectrum    1 weight  0.11000E+01 volume  0.34056E-02 ppm1      4.811 ppm2      0.863 CV     1
 ASSI {  193}
   (( segid "tbr1" and resid 55   and name HA  ))
   (( segid "tbr1" and resid 54   and name HG11))
      4.400     2.400     1.600 peak   193 spectrum    1 weight  0.10000E+01 volume  0.10331E-02 ppm1      4.810 ppm2      0.978 CV     1
 ASSI {  194}
   (( segid "tbr1" and resid 55   and name HA  ))
   (( segid "tbr1" and resid 54   and name HG12))
      4.400     2.400     1.600 peak   194 spectrum    1 weight  0.10000E+01 volume  0.73013E-03 ppm1      4.818 ppm2      1.299 CV     1
 ASSI {  196}
   (( segid "tbr1" and resid 55   and name HA  ))
   (( segid "tbr1" and resid 55   and name HG2 ))
      4.000     2.000     2.000 peak   196 spectrum    1 weight  0.11000E+01 volume  0.81717E-03 ppm1      4.818 ppm2      1.829 CV     1
 ASSI {  201}
   (( segid "tbr1" and resid 56   and name HA  ))
   (  segid "tbr1" and resid 53   and name HD1%)
      4.300     2.400     1.700 peak   201 spectrum    1 weight  0.11000E+01 volume  0.77637E-03 ppm1      3.803 ppm2      0.605 CV     1
 ASSI {  202}
   (( segid "tbr1" and resid 56   and name HA  ))
   (  segid "tbr1" and resid 53   and name HD2%)
      4.000     2.000     2.000 peak   202 spectrum    1 weight  0.11000E+01 volume  0.82675E-03 ppm1      3.809 ppm2      0.808 CV     1
 ASSI {  203}
   (( segid "tbr1" and resid 56   and name HA  ))
   (( segid "tbr1" and resid 53   and name HB1 ))
      3.000     1.100     1.100 peak   203 spectrum    1 weight  0.11000E+01 volume  0.70970E-03 ppm1      3.808 ppm2      1.015 CV     1
 ASSI {  206}
   (( segid "tbr1" and resid 59   and name HA  ))
   (( segid "tbr1" and resid 59   and name HD1 ))
      3.300     1.300     1.300 peak   206 spectrum    1 weight  0.11000E+01 volume  0.68819E-03 ppm1      4.265 ppm2      3.436 CV     1
 ASSI {  207}
   (( segid "tbr1" and resid 59   and name HA  ))
   (( segid "tbr1" and resid 59   and name HD2 ))
      3.900     1.900     1.900 peak   207 spectrum    1 weight  0.11000E+01 volume  0.56803E-03 ppm1      4.273 ppm2      3.287 CV     1
 ASSI {  208}
   (( segid "tbr1" and resid 59   and name HA  ))
   (( segid "tbr1" and resid 55   and name HD2 ))
      3.300     1.400     1.400 peak   208 spectrum    1 weight  0.11000E+01 volume  0.87236E-03 ppm1      4.268 ppm2      3.071 CV     1
 ASSI {  209}
   (( segid "tbr1" and resid 59   and name HA  ))
   (( segid "tbr1" and resid 59   and name HB2 ))
      3.200     1.300     1.300 peak   209 spectrum    1 weight  0.11000E+01 volume  0.12892E-02 ppm1      4.274 ppm2      1.947 CV     1
 ASSI {  210}
   (( segid "tbr1" and resid 59   and name HA  ))
   (( segid "tbr1" and resid 59   and name HG1 ))
      3.500     1.500     1.500 peak   210 spectrum    1 weight  0.11000E+01 volume  0.15403E-02 ppm1      4.268 ppm2      1.828 CV     1
 ASSI {  211}
   (( segid "tbr1" and resid 59   and name HA  ))
   (( segid "tbr1" and resid 59   and name HB1 ))
      2.600     0.800     0.800 peak   211 spectrum    1 weight  0.11000E+01 volume  0.16868E-02 ppm1      4.271 ppm2      1.618 CV     1
 ASSI {  212}
   (( segid "tbr1" and resid 59   and name HA  ))
   (( segid "tbr1" and resid 54   and name HG11))
      4.100     2.100     1.900 peak   212 spectrum    1 weight  0.10000E+01 volume  0.72397E-03 ppm1      4.267 ppm2      0.980 CV     1
 ASSI {  214}
   (( segid "tbr1" and resid 59   and name HA  ))
   (  segid "tbr1" and resid 53   and name HD1%)
      4.300     2.300     1.700 peak   214 spectrum    1 weight  0.10000E+01 volume  0.78951E-03 ppm1      4.263 ppm2      0.604 CV     1
 ASSI {  215}
   (( segid "tbr1" and resid 60   and name HA  ))
   (  segid "tbr1" and resid 60   and name HD% )
      3.300     1.300     1.300 peak   215 spectrum    1 weight  0.11000E+01 volume  0.21920E-02 ppm1      4.369 ppm2      7.349 CV     1
 ASSI {  216}
   (( segid "tbr1" and resid 60   and name HA  ))
   (( segid "tbr1" and resid 60   and name HB1 ))
      2.800     1.000     1.000 peak   216 spectrum    1 weight  0.11000E+01 volume  0.27176E-02 ppm1      4.370 ppm2      3.365 CV     1
 ASSI {  217}
   (( segid "tbr1" and resid 60   and name HA  ))
   (( segid "tbr1" and resid 60   and name HB2 ))
      2.600     0.800     0.800 peak   217 spectrum    1 weight  0.11000E+01 volume  0.33489E-02 ppm1      4.373 ppm2      3.223 CV     1
 ASSI {  219}
   (( segid "tbr1" and resid 61   and name HA  ))
   (  segid "tbr1" and resid 60   and name HD% )
      3.500     1.500     1.500 peak   219 spectrum    1 weight  0.11000E+01 volume  0.71807E-03 ppm1      3.978 ppm2      7.355 CV     1
 ASSI {  220}
   (( segid "tbr1" and resid 61   and name HA  ))
   (( segid "tbr1" and resid 61   and name HB  ))
      2.500     0.800     0.800 peak   220 spectrum    1 weight  0.11000E+01 volume  0.57574E-02 ppm1      3.986 ppm2      2.124 CV     1
 ASSI {  221}
   (( segid "tbr1" and resid 61   and name HA  ))
   (  segid "tbr1" and resid 61   and name HG2%)
      2.600     0.800     0.800 peak   221 spectrum    1 weight  0.11000E+01 volume  0.46941E-02 ppm1      3.986 ppm2      0.949 CV     1
 ASSI {  222}
   (( segid "tbr1" and resid 61   and name HA  ))
   (  segid "tbr1" and resid 61   and name HG1%)
      2.400     0.700     0.700 peak   222 spectrum    1 weight  0.11000E+01 volume  0.76407E-02 ppm1      3.987 ppm2      0.856 CV     1
 ASSI {  224}
   (( segid "tbr1" and resid 70   and name HA  ))
   (( segid "tbr1" and resid 37   and name HA  ))
      3.200     3.200     2.800 peak   224 spectrum    1 weight  0.10000E+01 volume  0.16939E-02 ppm1      4.729 ppm2      4.855 CV     1
 ASSI {  225}
   (( segid "tbr1" and resid 70   and name HA  ))
   (( segid "tbr1" and resid 70   and name HB2 ))
      2.500     0.800     0.800 peak   225 spectrum    1 weight  0.10000E+01 volume  0.63782E-02 ppm1      4.730 ppm2      3.733 CV     1
 ASSI {  226}
   (( segid "tbr1" and resid 70   and name HA  ))
   (  segid "tbr1" and resid 71   and name HG2%)
      3.700     1.700     1.700 peak   226 spectrum    1 weight  0.11000E+01 volume  0.11046E-02 ppm1      4.727 ppm2      0.947 CV     1
 OR {  226}
   (( segid "tbr1" and resid 70   and name HA  ))
   (  segid "tbr1" and resid 71   and name HG1%)
 ASSI {  227}
   (( segid "tbr1" and resid 70   and name HA  ))
   (  segid "tbr1" and resid 35   and name HG2%)
      3.300     1.300     1.300 peak   227 spectrum    1 weight  0.11000E+01 volume  0.12135E-02 ppm1      4.731 ppm2      1.069 CV     1
 ASSI {  228}
   (( segid "tbr1" and resid 70   and name HA  ))
   (  segid "tbr1" and resid 37   and name HG2%)
      2.900     1.100     1.100 peak   228 spectrum    1 weight  0.11000E+01 volume  0.18679E-02 ppm1      4.728 ppm2      1.173 CV     1
 ASSI {  229}
   (( segid "tbr1" and resid 71   and name HA  ))
   (( segid "tbr1" and resid 71   and name HB  ))
      2.800     1.000     1.000 peak   229 spectrum    1 weight  0.11000E+01 volume  0.31395E-02 ppm1      4.338 ppm2      2.159 CV     1
 ASSI {  230}
   (( segid "tbr1" and resid 71   and name HA  ))
   (  segid "tbr1" and resid 71   and name HG1%)
      2.200     0.600     0.600 peak   230 spectrum    1 weight  0.11000E+01 volume  0.98985E-02 ppm1      4.338 ppm2      0.944 CV     1
 OR {  230}
   (( segid "tbr1" and resid 71   and name HA  ))
   (  segid "tbr1" and resid 71   and name HG2%)
 ASSI {  234}
   (( segid "tbr1" and resid 72   and name HA  ))
   (( segid "tbr1" and resid 33   and name HA  ))
      3.700     1.700     1.700 peak   234 spectrum    1 weight  0.11000E+01 volume  0.10511E-02 ppm1      5.155 ppm2      5.264 CV     1
 ASSI {  236}
   (( segid "tbr1" and resid 72   and name HA  ))
   (( segid "tbr1" and resid 35   and name HA  ))
      2.400     0.700     0.700 peak   236 spectrum    1 weight  0.11000E+01 volume  0.44368E-02 ppm1      5.149 ppm2      5.056 CV     1
 ASSI {  237}
   (( segid "tbr1" and resid 72   and name HA  ))
   (( segid "tbr1" and resid 71   and name HA  ))
      4.000     2.000     2.000 peak   237 spectrum    1 weight  0.11000E+01 volume  0.63687E-03 ppm1      5.154 ppm2      4.338 CV     1
 ASSI {  240}
   (( segid "tbr1" and resid 72   and name HA  ))
   (  segid "tbr1" and resid 71   and name HG1%)
      3.600     1.700     1.700 peak   240 spectrum    1 weight  0.11000E+01 volume  0.68305E-03 ppm1      5.150 ppm2      0.934 CV     1
 ASSI {  241}
   (( segid "tbr1" and resid 72   and name HB  ))
   (( segid "tbr1" and resid 35   and name HA  ))
      3.900     1.900     1.900 peak   241 spectrum    1 weight  0.11000E+01 volume  0.11030E-02 ppm1      3.942 ppm2      5.052 CV     1
 ASSI {  242}
   (( segid "tbr1" and resid 72   and name HB  ))
   (( segid "tbr1" and resid 72   and name HA  ))
      2.900     1.000     1.000 peak   242 spectrum    1 weight  0.11000E+01 volume  0.21042E-02 ppm1      3.946 ppm2      5.149 CV     1
 ASSI {  243}
   (( segid "tbr1" and resid 72   and name HB  ))
   (( segid "tbr1" and resid 70   and name HA  ))
      2.900     2.900     3.100 peak   243 spectrum    1 weight  0.11000E+01 volume  0.10209E-02 ppm1      3.951 ppm2      4.702 CV     1
 ASSI {  244}
   (( segid "tbr1" and resid 72   and name HB  ))
   (( segid "tbr1" and resid 91   and name HA  ))
      3.700     3.700     2.300 peak   244 spectrum    1 weight  0.11000E+01 volume  0.67557E-03 ppm1      3.956 ppm2      4.035 CV     1
 ASSI {  245}
   (( segid "tbr1" and resid 72   and name HB  ))
   (( segid "tbr1" and resid 66   and name HB1 ))
      3.000     3.000     3.000 peak   245 spectrum    1 weight  0.11000E+01 volume  0.22043E-02 ppm1      3.932 ppm2      3.847 CV     1
 ASSI {  246}
   (( segid "tbr1" and resid 73   and name HB  ))
   (  segid "tbr1" and resid 34   and name HG2%)
      3.400     1.400     1.400 peak   246 spectrum    1 weight  0.11000E+01 volume  0.23183E-02 ppm1      3.971 ppm2      0.691 CV     1
 OR {  246}
   (( segid "tbr1" and resid 73   and name HB  ))
   (  segid "tbr1" and resid 34   and name HG1%)
 ASSI {  247}
   (( segid "tbr1" and resid 73   and name HB  ))
   (  segid "tbr1" and resid 73   and name HG2%)
      2.400     0.700     0.700 peak   247 spectrum    1 weight  0.11000E+01 volume  0.66326E-02 ppm1      3.970 ppm2      1.118 CV     1
 ASSI {  248}
   (( segid "tbr1" and resid 73   and name HB  ))
   (( segid "tbr1" and resid 34   and name HB  ))
      3.300     1.400     1.400 peak   248 spectrum    1 weight  0.11000E+01 volume  0.27894E-02 ppm1      3.972 ppm2      1.879 CV     1
 ASSI {  249}
   (( segid "tbr1" and resid 73   and name HB  ))
   (( segid "tbr1" and resid 73   and name HA  ))
      2.700     0.900     0.900 peak   249 spectrum    1 weight  0.11000E+01 volume  0.30258E-02 ppm1      3.970 ppm2      4.476 CV     1
 ASSI {  253}
   (( segid "tbr1" and resid 37   and name HA  ))
   (( segid "tbr1" and resid 36   and name HA  ))
      3.100     1.200     1.200 peak   253 spectrum    1 weight  0.11000E+01 volume  0.32805E-02 ppm1      4.882 ppm2      4.774 CV     1
 ASSI {  257}
   (( segid "tbr1" and resid 37   and name HA  ))
   (  segid "tbr1" and resid 35   and name HG2%)
      3.500     1.500     1.500 peak   257 spectrum    1 weight  0.11000E+01 volume  0.16644E-02 ppm1      4.882 ppm2      1.065 CV     1
 ASSI {  258}
   (( segid "tbr1" and resid 37   and name HA  ))
   (  segid "tbr1" and resid 38   and name HG2%)
      4.100     4.100     1.900 peak   258 spectrum    1 weight  0.11000E+01 volume  0.83601E-03 ppm1      4.883 ppm2      1.280 CV     1
 ASSI {  259}
   (( segid "tbr1" and resid 37   and name HA  ))
   (  segid "tbr1" and resid 37   and name HG2%)
      2.300     0.700     0.700 peak   259 spectrum    1 weight  0.11000E+01 volume  0.89361E-02 ppm1      4.882 ppm2      1.169 CV     1
 ASSI {  260}
   (( segid "tbr1" and resid 37   and name HA  ))
   (  segid "tbr1" and resid 71   and name HG2%)
      3.500     1.500     1.500 peak   260 spectrum    1 weight  0.11000E+01 volume  0.81133E-03 ppm1      4.881 ppm2      0.948 CV     1
 ASSI {  261}
   (( segid "tbr1" and resid 42   and name HA  ))
   (( segid "tbr1" and resid 41   and name HA  ))
      4.100     2.100     1.900 peak   261 spectrum    1 weight  0.11000E+01 volume  0.61427E-03 ppm1      4.325 ppm2      4.680 CV     1
 ASSI {  263}
   (( segid "tbr1" and resid 42   and name HA  ))
   (( segid "tbr1" and resid 36   and name HG2 ))
      3.200     3.200     2.800 peak   263 spectrum    1 weight  0.10000E+01 volume  0.57772E-03 ppm1      4.331 ppm2      2.105 CV     1
 ASSI {  264}
   (( segid "tbr1" and resid 42   and name HA  ))
   (( segid "tbr1" and resid 42   and name HB  ))
      3.100     1.200     1.200 peak   264 spectrum    1 weight  0.11000E+01 volume  0.15662E-02 ppm1      4.329 ppm2      1.688 CV     1
 ASSI {  267}
   (( segid "tbr1" and resid 42   and name HA  ))
   (  segid "tbr1" and resid 42   and name HG2%)
      2.500     0.800     0.800 peak   267 spectrum    1 weight  0.11000E+01 volume  0.52175E-02 ppm1      4.327 ppm2      0.805 CV     1
 OR {  267}
   (( segid "tbr1" and resid 42   and name HA  ))
   (  segid "tbr1" and resid 42   and name HD1%)
 ASSI {  268}
   (( segid "tbr1" and resid 42   and name HA  ))
   (( segid "tbr1" and resid 42   and name HG12))
      3.300     1.400     1.400 peak   268 spectrum    1 weight  0.11000E+01 volume  0.20856E-02 ppm1      4.327 ppm2      1.025 CV     1
 ASSI {  269}
   (( segid "tbr1" and resid 45   and name HB1 ))
   (( segid "tbr1" and resid 32   and name HA  ))
      3.400     1.500     1.500 peak   269 spectrum    1 weight  0.11000E+01 volume  0.10459E-02 ppm1      4.001 ppm2      5.365 CV     1
 ASSI {  271}
   (( segid "tbr1" and resid 45   and name HB1 ))
   (( segid "tbr1" and resid 32   and name HB  ))
      4.300     2.300     1.700 peak   271 spectrum    1 weight  0.11000E+01 volume  0.57764E-03 ppm1      3.997 ppm2      2.307 CV     1
 ASSI {  272}
   (( segid "tbr1" and resid 45   and name HB1 ))
   (  segid "tbr1" and resid 32   and name HG2%)
      3.500     1.600     1.600 peak   272 spectrum    1 weight  0.11000E+01 volume  0.73165E-03 ppm1      4.006 ppm2      0.790 CV     1
 ASSI {    5}
   (( segid "tbr1" and resid 27   and name HB1 ))
   (( segid "tbr1" and resid 27   and name HA  ))
      2.600     0.800     0.800 peak     5 spectrum    1 weight  0.10000E+01 volume  0.48412E-02 ppm1      2.618 ppm2      4.797 CV     1
 ASSI {    6}
   (( segid "tbr1" and resid 57   and name HB2 ))
   (( segid "tbr1" and resid 57   and name HA  ))
      2.300     0.700     0.700 peak     6 spectrum    1 weight  0.11000E+01 volume  0.12707E-01 ppm1      2.610 ppm2      4.351 CV     1
 ASSI {    7}
   (( segid "tbr1" and resid 78   and name HB1 ))
   (( segid "tbr1" and resid 78   and name HA  ))
      2.500     0.800     0.800 peak     7 spectrum    1 weight  0.11000E+01 volume  0.46119E-02 ppm1      2.508 ppm2      5.006 CV     1
 ASSI {    9}
   (( segid "tbr1" and resid 55   and name HB2 ))
   (( segid "tbr1" and resid 55   and name HA  ))
      2.600     0.800     0.800 peak     9 spectrum    1 weight  0.10000E+01 volume  0.50669E-02 ppm1      2.402 ppm2      4.803 CV     1
 ASSI {   10}
   (( segid "tbr1" and resid 7    and name HA  ))
   (  segid "tbr1" and resid 7    and name HB% )
      2.100     0.600     0.600 peak    10 spectrum    1 weight  0.11000E+01 volume  0.14988E-01 ppm1      4.395 ppm2      1.410 CV     1
 ASSI {   11}
   (( segid "tbr1" and resid 9    and name HA  ))
   (  segid "tbr1" and resid 25   and name HG2%)
      2.600     0.800     0.800 peak    11 spectrum    1 weight  0.11000E+01 volume  0.46715E-02 ppm1      4.348 ppm2      0.800 CV     1
 ASSI {   12}
   (( segid "tbr1" and resid 10   and name HA  ))
   (  segid "tbr1" and resid 10   and name HD1%)
      2.300     0.700     0.700 peak    12 spectrum    1 weight  0.11000E+01 volume  0.70520E-02 ppm1      4.373 ppm2      0.709 CV     1
 OR {   12}
   (( segid "tbr1" and resid 10   and name HA  ))
   (( segid "tbr1" and resid 10   and name HG  ))
 ASSI {   13}
   (( segid "tbr1" and resid 10   and name HA  ))
   (( segid "tbr1" and resid 10   and name HB1 ))
      2.400     0.700     0.700 peak    13 spectrum    1 weight  0.11000E+01 volume  0.47174E-02 ppm1      4.375 ppm2      1.244 CV     1
 ASSI {   14}
   (( segid "tbr1" and resid 10   and name HA  ))
   (  segid "tbr1" and resid 25   and name HG2%)
      3.300     3.300     2.700 peak    14 spectrum    1 weight  0.11000E+01 volume  0.13392E-02 ppm1      4.372 ppm2      0.829 CV     1
 ASSI {   15}
   (( segid "tbr1" and resid 10   and name HA  ))
   (( segid "tbr1" and resid 10   and name HB2 ))
      2.800     1.000     1.000 peak    15 spectrum    1 weight  0.10000E+01 volume  0.24486E-02 ppm1      4.374 ppm2      1.558 CV     1
 ASSI {   16}
   (( segid "tbr1" and resid 57   and name HA  ))
   (( segid "tbr1" and resid 57   and name HB2 ))
      2.400     0.700     0.700 peak    16 spectrum    1 weight  0.11000E+01 volume  0.86437E-02 ppm1      4.352 ppm2      2.607 CV     1
 OR {   16}
   (( segid "tbr1" and resid 57   and name HA  ))
   (( segid "tbr1" and resid 57   and name HB1 ))
 ASSI {   18}
   (( segid "tbr1" and resid 11   and name HA  ))
   (  segid "tbr1" and resid 25   and name HG1%)
      3.000     1.100     1.100 peak    18 spectrum    1 weight  0.11000E+01 volume  0.42496E-02 ppm1      5.049 ppm2      0.809 CV     1
 OR {   18}
   (( segid "tbr1" and resid 11   and name HA  ))
   (  segid "tbr1" and resid 25   and name HG2%)
 ASSI {   20}
   (( segid "tbr1" and resid 11   and name HA  ))
   (( segid "tbr1" and resid 11   and name HB1 ))
      2.800     1.000     1.000 peak    20 spectrum    1 weight  0.11000E+01 volume  0.28705E-02 ppm1      5.047 ppm2      1.442 CV     1
 ASSI {   21}
   (( segid "tbr1" and resid 11   and name HA  ))
   (( segid "tbr1" and resid 11   and name HB2 ))
      2.500     0.800     0.800 peak    21 spectrum    1 weight  0.11000E+01 volume  0.40677E-02 ppm1      5.046 ppm2      1.668 CV     1
 ASSI {   22}
   (( segid "tbr1" and resid 11   and name HA  ))
   (( segid "tbr1" and resid 25   and name HB  ))
      3.800     1.800     1.800 peak    22 spectrum    1 weight  0.11000E+01 volume  0.10934E-02 ppm1      5.044 ppm2      1.784 CV     1
 ASSI {   23}
   (( segid "tbr1" and resid 11   and name HA  ))
   (( segid "tbr1" and resid 11   and name HG1 ))
      2.400     0.700     0.700 peak    23 spectrum    1 weight  0.11000E+01 volume  0.35975E-02 ppm1      5.048 ppm2      1.993 CV     1
 ASSI {   28}
   (( segid "tbr1" and resid 12   and name HA  ))
   (( segid "tbr1" and resid 12   and name HB1 ))
      2.800     1.000     1.000 peak    28 spectrum    1 weight  0.11000E+01 volume  0.23727E-02 ppm1      4.863 ppm2      3.106 CV     1
 ASSI {   29}
   (( segid "tbr1" and resid 12   and name HA  ))
   (( segid "tbr1" and resid 81   and name HA  ))
      3.000     1.100     1.100 peak    29 spectrum    1 weight  0.11000E+01 volume  0.15307E-02 ppm1      4.869 ppm2      3.740 CV     1
 ASSI {   30}
   (( segid "tbr1" and resid 12   and name HB1 ))
   (( segid "tbr1" and resid 12   and name HB2 ))
      2.200     0.600     0.600 peak    30 spectrum    1 weight  0.11000E+01 volume  0.42620E-02 ppm1      3.083 ppm2      3.020 CV     1
 ASSI {   32}
   (( segid "tbr1" and resid 14   and name HA  ))
   (( segid "tbr1" and resid 14   and name HB2 ))
      3.000     1.100     1.100 peak    32 spectrum    1 weight  0.11000E+01 volume  0.14195E-02 ppm1      4.707 ppm2      3.380 CV     1
 ASSI {   34}
   (( segid "tbr1" and resid 14   and name HA  ))
   (( segid "tbr1" and resid 46   and name HA  ))
      2.900     1.100     1.100 peak    34 spectrum    1 weight  0.11000E+01 volume  0.19625E-02 ppm1      4.710 ppm2      4.820 CV     1
 ASSI {   38}
   (( segid "tbr1" and resid 16   and name HA  ))
   (  segid "tbr1" and resid 16   and name HD2%)
      2.700     0.900     0.900 peak    38 spectrum    1 weight  0.11000E+01 volume  0.49947E-02 ppm1      4.526 ppm2      0.874 CV     1
 OR {   38}
   (( segid "tbr1" and resid 16   and name HA  ))
   (  segid "tbr1" and resid 16   and name HD1%)
 ASSI {   39}
   (( segid "tbr1" and resid 16   and name HA  ))
   (  segid "tbr1" and resid 18   and name HG2%)
      3.300     1.400     1.400 peak    39 spectrum    1 weight  0.11000E+01 volume  0.11349E-02 ppm1      4.519 ppm2      1.279 CV     1
 ASSI {   40}
   (( segid "tbr1" and resid 16   and name HA  ))
   (( segid "tbr1" and resid 16   and name HB2 ))
      2.700     0.900     0.900 peak    40 spectrum    1 weight  0.11000E+01 volume  0.36022E-02 ppm1      4.526 ppm2      1.673 CV     1
 OR {   40}
   (( segid "tbr1" and resid 16   and name HA  ))
   (( segid "tbr1" and resid 16   and name HB1 ))
 ASSI {   41}
   (( segid "tbr1" and resid 19   and name HA  ))
   (( segid "tbr1" and resid 19   and name HD1 ))
      3.000     1.100     1.100 peak    41 spectrum    1 weight  0.11000E+01 volume  0.30026E-02 ppm1      4.210 ppm2      1.601 CV     1
 OR {   41}
   (( segid "tbr1" and resid 19   and name HA  ))
   (( segid "tbr1" and resid 19   and name HD2 ))
 ASSI {   42}
   (( segid "tbr1" and resid 19   and name HA  ))
   (( segid "tbr1" and resid 19   and name HB1 ))
      2.300     0.700     0.700 peak    42 spectrum    1 weight  0.11000E+01 volume  0.63884E-02 ppm1      4.211 ppm2      1.704 CV     1
 ASSI {   43}
   (( segid "tbr1" and resid 19   and name HA  ))
   (( segid "tbr1" and resid 19   and name HB2 ))
      2.600     0.900     0.900 peak    43 spectrum    1 weight  0.11000E+01 volume  0.60815E-02 ppm1      4.209 ppm2      1.809 CV     1
 ASSI {   44}
   (( segid "tbr1" and resid 19   and name HA  ))
   (( segid "tbr1" and resid 19   and name HG2 ))
      2.800     1.000     1.000 peak    44 spectrum    1 weight  0.11000E+01 volume  0.42921E-02 ppm1      4.210 ppm2      1.375 CV     1
 OR {   44}
   (( segid "tbr1" and resid 19   and name HA  ))
   (( segid "tbr1" and resid 19   and name HG1 ))
 ASSI {   47}
   (( segid "tbr1" and resid 20   and name HA  ))
   (( segid "tbr1" and resid 20   and name HB1 ))
      2.500     0.800     0.800 peak    47 spectrum    1 weight  0.11000E+01 volume  0.45182E-02 ppm1      4.957 ppm2      2.196 CV     1
 ASSI {   48}
   (( segid "tbr1" and resid 20   and name HA  ))
   (( segid "tbr1" and resid 21   and name HB2 ))
      3.500     1.600     1.600 peak    48 spectrum    1 weight  0.11000E+01 volume  0.12376E-02 ppm1      4.951 ppm2      2.613 CV     1
 ASSI {   49}
   (( segid "tbr1" and resid 20   and name HA  ))
   (( segid "tbr1" and resid 20   and name HB2 ))
      2.600     0.800     0.800 peak    49 spectrum    1 weight  0.11000E+01 volume  0.60027E-02 ppm1      4.958 ppm2      3.031 CV     1
 ASSI {   51}
   (( segid "tbr1" and resid 20   and name HB1 ))
   (( segid "tbr1" and resid 20   and name HB2 ))
      1.900     0.500     0.500 peak    51 spectrum    1 weight  0.11000E+01 volume  0.93986E-02 ppm1      2.195 ppm2      3.030 CV     1
 ASSI {   56}
   (( segid "tbr1" and resid 20   and name HB2 ))
   (( segid "tbr1" and resid 22   and name HA  ))
      3.400     1.500     1.500 peak    56 spectrum    1 weight  0.11000E+01 volume  0.15675E-02 ppm1      3.034 ppm2      4.101 CV     1
 ASSI {   58}
   (( segid "tbr1" and resid 21   and name HA  ))
   (  segid "tbr1" and resid 23   and name HG2%)
      3.600     1.700     1.700 peak    58 spectrum    1 weight  0.11000E+01 volume  0.97424E-03 ppm1      4.098 ppm2      1.296 CV     1
 ASSI {   59}
   (( segid "tbr1" and resid 21   and name HA  ))
   (( segid "tbr1" and resid 21   and name HB2 ))
      2.200     0.600     0.600 peak    59 spectrum    1 weight  0.11000E+01 volume  0.87610E-02 ppm1      4.096 ppm2      2.615 CV     1
 ASSI {   60}
   (( segid "tbr1" and resid 21   and name HA  ))
   (( segid "tbr1" and resid 21   and name HB1 ))
      2.500     0.800     0.800 peak    60 spectrum    1 weight  0.11000E+01 volume  0.94398E-02 ppm1      4.096 ppm2      3.111 CV     1
 ASSI {   62}
   (( segid "tbr1" and resid 21   and name HA  ))
   (( segid "tbr1" and resid 19   and name HA  ))
      3.400     3.400     2.600 peak    62 spectrum    1 weight  0.11000E+01 volume  0.16066E-02 ppm1      4.094 ppm2      4.178 CV     1
 ASSI {   63}
   (( segid "tbr1" and resid 21   and name HA  ))
   (( segid "tbr1" and resid 22   and name HA  ))
      2.300     2.300     3.700 peak    63 spectrum    1 weight  0.11000E+01 volume  0.33700E-01 ppm1      4.097 ppm2      4.095 CV     1
 ASSI {   65}
   (( segid "tbr1" and resid 21   and name HA  ))
   (  segid "tbr1" and resid 22   and name HE% )
      3.800     1.800     1.800 peak    65 spectrum    1 weight  0.10000E+01 volume  0.66313E-03 ppm1      4.092 ppm2      7.385 CV     1
 ASSI {   67}
   (( segid "tbr1" and resid 21   and name HB1 ))
   (( segid "tbr1" and resid 22   and name HB1 ))
      2.300     2.300     3.700 peak    67 spectrum    1 weight  0.11000E+01 volume  0.30092E-01 ppm1      3.113 ppm2      3.113 CV     1
 ASSI {   68}
   (( segid "tbr1" and resid 21   and name HB1 ))
   (( segid "tbr1" and resid 21   and name HB2 ))
      1.700     0.400     0.500 peak    68 spectrum    1 weight  0.11000E+01 volume  0.22822E-01 ppm1      3.113 ppm2      2.613 CV     1
 ASSI {   69}
   (( segid "tbr1" and resid 21   and name HB1 ))
   (  segid "tbr1" and resid 23   and name HG2%)
      3.400     1.400     1.400 peak    69 spectrum    1 weight  0.11000E+01 volume  0.86779E-03 ppm1      3.113 ppm2      1.278 CV     1
 ASSI {   70}
   (( segid "tbr1" and resid 24   and name HA  ))
   (  segid "tbr1" and resid 25   and name HG1%)
      4.100     2.100     1.900 peak    70 spectrum    1 weight  0.11000E+01 volume  0.16390E-02 ppm1      4.893 ppm2      0.819 CV     1
 ASSI {   71}
   (( segid "tbr1" and resid 24   and name HA  ))
   (  segid "tbr1" and resid 23   and name HG2%)
      3.600     1.600     1.600 peak    71 spectrum    1 weight  0.11000E+01 volume  0.65762E-03 ppm1      4.898 ppm2      1.272 CV     1
 ASSI {   72}
   (( segid "tbr1" and resid 24   and name HA  ))
   (( segid "tbr1" and resid 47   and name HB2 ))
      4.000     2.000     2.000 peak    72 spectrum    1 weight  0.10000E+01 volume  0.71535E-03 ppm1      4.893 ppm2      2.721 CV     1
 ASSI {   73}
   (( segid "tbr1" and resid 24   and name HA  ))
   (( segid "tbr1" and resid 24   and name HB1 ))
      2.900     1.100     1.100 peak    73 spectrum    1 weight  0.11000E+01 volume  0.26381E-02 ppm1      4.896 ppm2      3.392 CV     1
 ASSI {   74}
   (( segid "tbr1" and resid 24   and name HA  ))
   (( segid "tbr1" and resid 24   and name HB2 ))
      3.500     1.500     1.500 peak    74 spectrum    1 weight  0.11000E+01 volume  0.66123E-03 ppm1      4.894 ppm2      3.528 CV     1
 ASSI {   75}
   (( segid "tbr1" and resid 24   and name HA  ))
   (( segid "tbr1" and resid 23   and name HB  ))
      2.900     2.900     3.100 peak    75 spectrum    1 weight  0.11000E+01 volume  0.96105E-03 ppm1      4.895 ppm2      4.098 CV     1
 ASSI {   78}
   (( segid "tbr1" and resid 24   and name HB1 ))
   (( segid "tbr1" and resid 24   and name HB2 ))
      2.400     0.700     0.700 peak    78 spectrum    1 weight  0.11000E+01 volume  0.27588E-02 ppm1      3.396 ppm2      3.529 CV     1
 ASSI {   80}
   (( segid "tbr1" and resid 24   and name HB1 ))
   (( segid "tbr1" and resid 47   and name HB1 ))
      3.200     1.300     1.300 peak    80 spectrum    1 weight  0.10000E+01 volume  0.94252E-03 ppm1      3.400 ppm2      3.173 CV     1
 ASSI {   81}
   (( segid "tbr1" and resid 24   and name HB1 ))
   (( segid "tbr1" and resid 26   and name HB  ))
      4.000     2.000     2.000 peak    81 spectrum    1 weight  0.10000E+01 volume  0.72822E-03 ppm1      3.408 ppm2      3.645 CV     1
 ASSI {   82}
   (( segid "tbr1" and resid 24   and name HB2 ))
   (  segid "tbr1" and resid 25   and name HG2%)
      4.300     2.400     1.700 peak    82 spectrum    1 weight  0.11000E+01 volume  0.67138E-03 ppm1      3.535 ppm2      0.814 CV     1
 OR {   82}
   (( segid "tbr1" and resid 24   and name HB2 ))
   (  segid "tbr1" and resid 25   and name HG1%)
 ASSI {   83}
   (( segid "tbr1" and resid 10   and name HB1 ))
   (( segid "tbr1" and resid 10   and name HG  ))
      2.400     0.700     0.700 peak    83 spectrum    1 weight  0.11000E+01 volume  0.47976E-02 ppm1      1.250 ppm2      0.716 CV     1
 OR {   83}
   (( segid "tbr1" and resid 10   and name HB1 ))
   (  segid "tbr1" and resid 10   and name HD1%)
 ASSI {   85}
   (( segid "tbr1" and resid 10   and name HB2 ))
   (( segid "tbr1" and resid 10   and name HG  ))
      2.700     0.900     0.900 peak    85 spectrum    1 weight  0.11000E+01 volume  0.35401E-02 ppm1      1.557 ppm2      0.720 CV     1
 OR {   85}
   (( segid "tbr1" and resid 10   and name HB2 ))
   (  segid "tbr1" and resid 10   and name HD1%)
 ASSI {   87}
   (( segid "tbr1" and resid 10   and name HB2 ))
   (( segid "tbr1" and resid 10   and name HB1 ))
      2.000     0.500     0.500 peak    87 spectrum    1 weight  0.11000E+01 volume  0.50870E-02 ppm1      1.559 ppm2      1.250 CV     1
 ASSI {   89}
   (( segid "tbr1" and resid 11   and name HG1 ))
   (  segid "tbr1" and resid 25   and name HG1%)
      2.700     2.700     3.300 peak    89 spectrum    1 weight  0.11000E+01 volume  0.49680E-02 ppm1      2.001 ppm2      0.815 CV     1
 OR {   89}
   (( segid "tbr1" and resid 11   and name HG1 ))
   (  segid "tbr1" and resid 25   and name HG2%)
 ASSI {   90}
   (( segid "tbr1" and resid 11   and name HG1 ))
   (  segid "tbr1" and resid 23   and name HG2%)
      3.200     1.300     1.300 peak    90 spectrum    1 weight  0.11000E+01 volume  0.18781E-02 ppm1      1.998 ppm2      1.279 CV     1
 ASSI {   92}
   (( segid "tbr1" and resid 11   and name HG1 ))
   (( segid "tbr1" and resid 11   and name HB2 ))
      2.700     0.900     0.900 peak    92 spectrum    1 weight  0.11000E+01 volume  0.23903E-02 ppm1      1.999 ppm2      1.670 CV     1
 ASSI {   94}
   (( segid "tbr1" and resid 11   and name HG1 ))
   (( segid "tbr1" and resid 11   and name HG2 ))
      1.800     0.400     0.400 peak    94 spectrum    1 weight  0.11000E+01 volume  0.10869E-01 ppm1      1.997 ppm2      2.351 CV     1
 ASSI {   97}
   (( segid "tbr1" and resid 11   and name HG2 ))
   (( segid "tbr1" and resid 11   and name HA  ))
      3.100     1.200     1.200 peak    97 spectrum    1 weight  0.11000E+01 volume  0.20619E-02 ppm1      2.358 ppm2      5.052 CV     1
 ASSI {   98}
   (( segid "tbr1" and resid 11   and name HG2 ))
   (( segid "tbr1" and resid 25   and name HA  ))
      4.000     2.000     2.000 peak    98 spectrum    1 weight  0.11000E+01 volume  0.12361E-02 ppm1      2.351 ppm2      5.266 CV     1
 ASSI {  104}
   (( segid "tbr1" and resid 11   and name HG2 ))
   (( segid "tbr1" and resid 25   and name HB  ))
      4.000     2.000     2.000 peak   104 spectrum    1 weight  0.11000E+01 volume  0.10922E-02 ppm1      2.353 ppm2      1.779 CV     1
 ASSI {  107}
   (( segid "tbr1" and resid 11   and name HG2 ))
   (  segid "tbr1" and resid 23   and name HG2%)
      3.000     1.200     1.200 peak   107 spectrum    1 weight  0.11000E+01 volume  0.12772E-02 ppm1      2.351 ppm2      1.269 CV     1
 ASSI {  108}
   (( segid "tbr1" and resid 11   and name HG2 ))
   (  segid "tbr1" and resid 25   and name HG1%)
      3.500     1.500     1.500 peak   108 spectrum    1 weight  0.11000E+01 volume  0.31501E-02 ppm1      2.355 ppm2      0.804 CV     1
 OR {  108}
   (( segid "tbr1" and resid 11   and name HG2 ))
   (  segid "tbr1" and resid 25   and name HG2%)
 ASSI {  109}
   (( segid "tbr1" and resid 13   and name HB2 ))
   (( segid "tbr1" and resid 23   and name HB  ))
      3.600     3.600     2.400 peak   109 spectrum    1 weight  0.11000E+01 volume  0.11262E-02 ppm1      2.985 ppm2      4.128 CV     1
 ASSI {  113}
   (( segid "tbr1" and resid 27   and name HA  ))
   (( segid "tbr1" and resid 50   and name HB1 ))
      3.800     1.800     1.800 peak   113 spectrum    1 weight  0.10000E+01 volume  0.83296E-03 ppm1      4.797 ppm2      1.806 CV     1
 OR {  113}
   (( segid "tbr1" and resid 27   and name HA  ))
   (( segid "tbr1" and resid 50   and name HB2 ))
 ASSI {  115}
   (( segid "tbr1" and resid 27   and name HA  ))
   (( segid "tbr1" and resid 27   and name HB2 ))
      2.700     0.900     0.900 peak   115 spectrum    1 weight  0.11000E+01 volume  0.34382E-02 ppm1      4.800 ppm2      3.037 CV     1
 ASSI {  116}
   (( segid "tbr1" and resid 27   and name HA  ))
   (( segid "tbr1" and resid 8    and name HA  ))
      3.100     3.100     2.900 peak   116 spectrum    1 weight  0.10000E+01 volume  0.15663E-02 ppm1      4.801 ppm2      4.175 CV     1
 ASSI {  117}
   (( segid "tbr1" and resid 27   and name HA  ))
   (( segid "tbr1" and resid 9    and name HA  ))
      3.200     1.300     1.300 peak   117 spectrum    1 weight  0.11000E+01 volume  0.10869E-02 ppm1      4.804 ppm2      4.355 CV     1
 ASSI {  118}
   (( segid "tbr1" and resid 27   and name HA  ))
   (( segid "tbr1" and resid 26   and name HA  ))
      2.300     2.300     3.700 peak   118 spectrum    1 weight  0.11000E+01 volume  0.18535E-01 ppm1      4.800 ppm2      4.798 CV     1
 ASSI {  119}
   (( segid "tbr1" and resid 27   and name HB2 ))
   (( segid "tbr1" and resid 50   and name HB1 ))
      3.600     1.600     1.600 peak   119 spectrum    1 weight  0.11000E+01 volume  0.11445E-02 ppm1      3.035 ppm2      1.805 CV     1
 OR {  119}
   (( segid "tbr1" and resid 27   and name HB2 ))
   (( segid "tbr1" and resid 50   and name HB2 ))
 ASSI {  120}
   (( segid "tbr1" and resid 28   and name HA2 ))
   (  segid "tbr1" and resid 53   and name HD1%)
      3.100     1.200     1.200 peak   120 spectrum    1 weight  0.11000E+01 volume  0.14930E-02 ppm1      4.146 ppm2      0.600 CV     1
 OR {  120}
   (( segid "tbr1" and resid 28   and name HA1 ))
   (  segid "tbr1" and resid 53   and name HD1%)
 ASSI {  121}
   (( segid "tbr1" and resid 28   and name HA2 ))
   (  segid "tbr1" and resid 53   and name HD2%)
      2.800     1.000     1.000 peak   121 spectrum    1 weight  0.11000E+01 volume  0.36119E-02 ppm1      4.143 ppm2      0.802 CV     1
 OR {  121}
   (( segid "tbr1" and resid 28   and name HA1 ))
   (  segid "tbr1" and resid 53   and name HD2%)
 ASSI {  122}
   (( segid "tbr1" and resid 28   and name HA1 ))
   (( segid "tbr1" and resid 50   and name HB1 ))
      2.800     1.000     1.000 peak   122 spectrum    1 weight  0.11000E+01 volume  0.29250E-02 ppm1      4.146 ppm2      1.801 CV     1
 OR {  122}
   (( segid "tbr1" and resid 28   and name HA2 ))
   (( segid "tbr1" and resid 50   and name HB1 ))
 OR {  122}
   (( segid "tbr1" and resid 28   and name HA1 ))
   (( segid "tbr1" and resid 50   and name HB2 ))
 OR {  122}
   (( segid "tbr1" and resid 28   and name HA2 ))
   (( segid "tbr1" and resid 50   and name HB2 ))
 ASSI {  123}
   (( segid "tbr1" and resid 28   and name HA2 ))
   (  segid "tbr1" and resid 49   and name HB% )
      4.000     2.000     2.000 peak   123 spectrum    1 weight  0.11000E+01 volume  0.13120E-02 ppm1      4.136 ppm2      1.494 CV     1
 OR {  123}
   (( segid "tbr1" and resid 28   and name HA1 ))
   (  segid "tbr1" and resid 49   and name HB% )
 ASSI {  124}
   (( segid "tbr1" and resid 28   and name HA1 ))
   (( segid "tbr1" and resid 50   and name HG2 ))
      3.400     1.500     1.500 peak   124 spectrum    1 weight  0.11000E+01 volume  0.15856E-02 ppm1      4.153 ppm2      2.154 CV     1
 OR {  124}
   (( segid "tbr1" and resid 28   and name HA2 ))
   (( segid "tbr1" and resid 50   and name HG2 ))
 OR {  124}
   (( segid "tbr1" and resid 28   and name HA1 ))
   (( segid "tbr1" and resid 50   and name HG1 ))
 OR {  124}
   (( segid "tbr1" and resid 28   and name HA2 ))
   (( segid "tbr1" and resid 50   and name HG1 ))
 ASSI {  125}
   (( segid "tbr1" and resid 28   and name HA2 ))
   (( segid "tbr1" and resid 50   and name HA  ))
      2.700     0.900     0.900 peak   125 spectrum    1 weight  0.11000E+01 volume  0.22929E-02 ppm1      4.144 ppm2      3.677 CV     1
 OR {  125}
   (( segid "tbr1" and resid 28   and name HA1 ))
   (( segid "tbr1" and resid 50   and name HA  ))
 ASSI {  126}
   (( segid "tbr1" and resid 28   and name HA2 ))
   (( segid "tbr1" and resid 29   and name HA  ))
      3.500     1.500     1.500 peak   126 spectrum    1 weight  0.11000E+01 volume  0.12353E-02 ppm1      4.150 ppm2      4.684 CV     1
 OR {  126}
   (( segid "tbr1" and resid 28   and name HA1 ))
   (( segid "tbr1" and resid 29   and name HA  ))
 ASSI {  127}
   (( segid "tbr1" and resid 29   and name HA  ))
   (( segid "tbr1" and resid 10   and name HG  ))
      2.500     0.800     0.800 peak   127 spectrum    1 weight  0.10000E+01 volume  0.39414E-02 ppm1      4.669 ppm2      0.726 CV     1
 OR {  127}
   (( segid "tbr1" and resid 29   and name HA  ))
   (  segid "tbr1" and resid 10   and name HD1%)
 ASSI {  129}
   (( segid "tbr1" and resid 29   and name HA  ))
   (( segid "tbr1" and resid 29   and name HB2 ))
      3.000     1.100     1.100 peak   129 spectrum    1 weight  0.11000E+01 volume  0.15772E-02 ppm1      4.666 ppm2      1.410 CV     1
 ASSI {  130}
   (( segid "tbr1" and resid 29   and name HA  ))
   (( segid "tbr1" and resid 29   and name HG  ))
      3.300     1.300     1.300 peak   130 spectrum    1 weight  0.11000E+01 volume  0.14620E-02 ppm1      4.670 ppm2      1.536 CV     1
 ASSI {  131}
   (( segid "tbr1" and resid 29   and name HA  ))
   (( segid "tbr1" and resid 29   and name HB1 ))
      2.900     1.000     1.000 peak   131 spectrum    1 weight  0.11000E+01 volume  0.13869E-02 ppm1      4.666 ppm2      1.663 CV     1
 ASSI {  134}
   (( segid "tbr1" and resid 29   and name HB2 ))
   (  segid "tbr1" and resid 29   and name HD1%)
      2.600     0.800     0.800 peak   134 spectrum    1 weight  0.10000E+01 volume  0.27004E-02 ppm1      1.410 ppm2      0.840 CV     1
 ASSI {  135}
   (( segid "tbr1" and resid 29   and name HB2 ))
   (( segid "tbr1" and resid 29   and name HB1 ))
      2.300     0.600     0.600 peak   135 spectrum    1 weight  0.11000E+01 volume  0.24991E-02 ppm1      1.408 ppm2      1.661 CV     1
 ASSI {  136}
   (( segid "tbr1" and resid 29   and name HB2 ))
   (( segid "tbr1" and resid 29   and name HG  ))
      3.000     1.100     1.100 peak   136 spectrum    1 weight  0.11000E+01 volume  0.19450E-02 ppm1      1.409 ppm2      1.520 CV     1
 ASSI {  138}
   (( segid "tbr1" and resid 30   and name HA  ))
   (( segid "tbr1" and resid 83   and name HB1 ))
      3.700     1.700     1.700 peak   138 spectrum    1 weight  0.11000E+01 volume  0.85371E-03 ppm1      5.362 ppm2      2.288 CV     1
 ASSI {  139}
   (( segid "tbr1" and resid 30   and name HA  ))
   (( segid "tbr1" and resid 83   and name HB2 ))
      3.600     3.600     2.400 peak   139 spectrum    1 weight  0.11000E+01 volume  0.10359E-02 ppm1      5.366 ppm2      2.851 CV     1
 ASSI {  140}
   (( segid "tbr1" and resid 30   and name HA  ))
   (( segid "tbr1" and resid 30   and name HB2 ))
      2.900     1.000     1.000 peak   140 spectrum    1 weight  0.11000E+01 volume  0.22685E-02 ppm1      5.361 ppm2      3.013 CV     1
 ASSI {  141}
   (( segid "tbr1" and resid 30   and name HA  ))
   (( segid "tbr1" and resid 47   and name HA  ))
      3.000     1.100     1.100 peak   141 spectrum    1 weight  0.11000E+01 volume  0.18198E-02 ppm1      5.357 ppm2      4.924 CV     1
 ASSI {  144}
   (( segid "tbr1" and resid 31   and name HB2 ))
   (  segid "tbr1" and resid 48   and name HD1%)
      3.500     1.600     1.600 peak   144 spectrum    1 weight  0.11000E+01 volume  0.14220E-02 ppm1      2.920 ppm2      0.437 CV     1
 ASSI {  151}
   (( segid "tbr1" and resid 36   and name HA  ))
   (( segid "tbr1" and resid 41   and name HA  ))
      2.100     0.600     0.600 peak   151 spectrum    1 weight  0.11000E+01 volume  0.76242E-02 ppm1      4.786 ppm2      4.674 CV     1
 ASSI {  152}
   (( segid "tbr1" and resid 36   and name HA  ))
   (( segid "tbr1" and resid 40   and name HA  ))
      3.400     3.400     2.600 peak   152 spectrum    1 weight  0.11000E+01 volume  0.13547E-02 ppm1      4.783 ppm2      4.564 CV     1
 ASSI {  153}
   (( segid "tbr1" and resid 36   and name HA  ))
   (( segid "tbr1" and resid 36   and name HB1 ))
      2.300     0.700     0.700 peak   153 spectrum    1 weight  0.11000E+01 volume  0.53043E-02 ppm1      4.786 ppm2      2.074 CV     1
 OR {  153}
   (( segid "tbr1" and resid 36   and name HA  ))
   (( segid "tbr1" and resid 36   and name HG2 ))
 ASSI {  154}
   (( segid "tbr1" and resid 36   and name HA  ))
   (( segid "tbr1" and resid 36   and name HB2 ))
      2.700     0.900     0.900 peak   154 spectrum    1 weight  0.11000E+01 volume  0.42178E-02 ppm1      4.787 ppm2      1.931 CV     1
 ASSI {  155}
   (( segid "tbr1" and resid 36   and name HA  ))
   (  segid "tbr1" and resid 37   and name HG2%)
      3.900     1.900     1.900 peak   155 spectrum    1 weight  0.11000E+01 volume  0.10327E-02 ppm1      4.789 ppm2      1.171 CV     1
 ASSI {  157}
   (( segid "tbr1" and resid 36   and name HA  ))
   (  segid "tbr1" and resid 41   and name HG2%)
      3.100     1.200     1.200 peak   157 spectrum    1 weight  0.11000E+01 volume  0.33360E-02 ppm1      4.787 ppm2      0.904 CV     1
 ASSI {  158}
   (( segid "tbr1" and resid 36   and name HA  ))
   (  segid "tbr1" and resid 41   and name HG1%)
      3.100     1.200     1.200 peak   158 spectrum    1 weight  0.11000E+01 volume  0.35037E-02 ppm1      4.788 ppm2      0.708 CV     1
 ASSI {  159}
   (( segid "tbr1" and resid 39   and name HB1 ))
   (( segid "tbr1" and resid 40   and name HG1 ))
      3.200     1.300     1.300 peak   159 spectrum    1 weight  0.11000E+01 volume  0.99708E-03 ppm1      2.673 ppm2      1.250 CV     1
 OR {  159}
   (( segid "tbr1" and resid 39   and name HB1 ))
   (( segid "tbr1" and resid 40   and name HG2 ))
 ASSI {  160}
   (( segid "tbr1" and resid 39   and name HB1 ))
   (( segid "tbr1" and resid 36   and name HA  ))
      4.100     4.100     1.900 peak   160 spectrum    1 weight  0.11000E+01 volume  0.73228E-03 ppm1      2.686 ppm2      4.775 CV     1
 ASSI {  161}
   (( segid "tbr1" and resid 40   and name HB2 ))
   (  segid "tbr1" and resid 41   and name HG1%)
      3.900     1.900     1.900 peak   161 spectrum    1 weight  0.11000E+01 volume  0.10372E-02 ppm1      1.778 ppm2      0.696 CV     1
 ASSI {  162}
   (( segid "tbr1" and resid 40   and name HB2 ))
   (  segid "tbr1" and resid 42   and name HD1%)
      3.600     1.600     1.600 peak   162 spectrum    1 weight  0.11000E+01 volume  0.10747E-02 ppm1      1.786 ppm2      0.789 CV     1
 ASSI {  163}
   (( segid "tbr1" and resid 40   and name HB2 ))
   (( segid "tbr1" and resid 40   and name HA  ))
      2.600     0.900     0.900 peak   163 spectrum    1 weight  0.11000E+01 volume  0.38791E-02 ppm1      1.772 ppm2      4.594 CV     1
 ASSI {  164}
   (( segid "tbr1" and resid 40   and name HB2 ))
   (( segid "tbr1" and resid 40   and name HE2 ))
      4.100     2.100     1.900 peak   164 spectrum    1 weight  0.11000E+01 volume  0.89938E-03 ppm1      1.766 ppm2      2.917 CV     1
 OR {  164}
   (( segid "tbr1" and resid 40   and name HB2 ))
   (( segid "tbr1" and resid 40   and name HE1 ))
 ASSI {  165}
   (( segid "tbr1" and resid 33   and name HA  ))
   (( segid "tbr1" and resid 74   and name HA  ))
      2.400     0.700     0.700 peak   165 spectrum    1 weight  0.11000E+01 volume  0.49617E-02 ppm1      5.278 ppm2      4.657 CV     1
 ASSI {  167}
   (( segid "tbr1" and resid 31   and name HA  ))
   (( segid "tbr1" and resid 31   and name HB2 ))
      2.700     0.900     0.900 peak   167 spectrum    1 weight  0.11000E+01 volume  0.19995E-02 ppm1      5.578 ppm2      2.901 CV     1
 ASSI {  169}
   (( segid "tbr1" and resid 76   and name HA  ))
   (( segid "tbr1" and resid 31   and name HA  ))
      2.400     0.700     0.700 peak   169 spectrum    1 weight  0.11000E+01 volume  0.48512E-02 ppm1      5.583 ppm2      5.579 CV     1
 ASSI {  170}
   (( segid "tbr1" and resid 76   and name HA  ))
   (( segid "tbr1" and resid 76   and name HB2 ))
      3.200     1.200     1.200 peak   170 spectrum    1 weight  0.11000E+01 volume  0.18165E-02 ppm1      5.588 ppm2      3.417 CV     1
 ASSI {  171}
   (( segid "tbr1" and resid 76   and name HA  ))
   (( segid "tbr1" and resid 76   and name HB1 ))
      2.900     1.000     1.000 peak   171 spectrum    1 weight  0.11000E+01 volume  0.16662E-02 ppm1      5.579 ppm2      3.043 CV     1
 ASSI {  174}
   (( segid "tbr1" and resid 76   and name HA  ))
   (  segid "tbr1" and resid 29   and name HD1%)
      3.100     1.200     1.200 peak   174 spectrum    1 weight  0.11000E+01 volume  0.21398E-02 ppm1      5.578 ppm2      0.840 CV     1
 ASSI {  175}
   (( segid "tbr1" and resid 76   and name HA  ))
   (  segid "tbr1" and resid 32   and name HG2%)
      2.900     2.900     3.100 peak   175 spectrum    1 weight  0.11000E+01 volume  0.10203E-02 ppm1      5.588 ppm2      0.734 CV     1
 ASSI {  176}
   (( segid "tbr1" and resid 76   and name HB1 ))
   (  segid "tbr1" and resid 29   and name HD1%)
      2.500     0.800     0.800 peak   176 spectrum    1 weight  0.11000E+01 volume  0.49152E-02 ppm1      3.040 ppm2      0.842 CV     1
 ASSI {  178}
   (( segid "tbr1" and resid 76   and name HB1 ))
   (( segid "tbr1" and resid 29   and name HB2 ))
      3.400     1.400     1.400 peak   178 spectrum    1 weight  0.11000E+01 volume  0.12221E-02 ppm1      3.033 ppm2      1.411 CV     1
 ASSI {  179}
   (( segid "tbr1" and resid 76   and name HB1 ))
   (( segid "tbr1" and resid 29   and name HB1 ))
      3.800     3.800     2.200 peak   179 spectrum    1 weight  0.11000E+01 volume  0.12351E-02 ppm1      3.035 ppm2      1.679 CV     1
 ASSI {  180}
   (( segid "tbr1" and resid 76   and name HB2 ))
   (  segid "tbr1" and resid 29   and name HD1%)
      2.900     1.000     1.000 peak   180 spectrum    1 weight  0.11000E+01 volume  0.28574E-02 ppm1      3.415 ppm2      0.843 CV     1
 ASSI {  182}
   (( segid "tbr1" and resid 45   and name HA  ))
   (( segid "tbr1" and resid 32   and name HA  ))
      2.400     0.700     0.700 peak   182 spectrum    1 weight  0.11000E+01 volume  0.40334E-02 ppm1      5.725 ppm2      5.355 CV     1
 ASSI {  183}
   (( segid "tbr1" and resid 45   and name HA  ))
   (( segid "tbr1" and resid 45   and name HB2 ))
      2.700     0.900     0.900 peak   183 spectrum    1 weight  0.11000E+01 volume  0.28998E-02 ppm1      5.728 ppm2      4.128 CV     1
 ASSI {  185}
   (( segid "tbr1" and resid 45   and name HA  ))
   (( segid "tbr1" and resid 31   and name HB1 ))
      3.700     3.700     2.300 peak   185 spectrum    1 weight  0.11000E+01 volume  0.82395E-03 ppm1      5.724 ppm2      2.836 CV     1
 ASSI {  187}
   (( segid "tbr1" and resid 45   and name HA  ))
   (  segid "tbr1" and resid 32   and name HG2%)
      3.600     1.600     1.600 peak   187 spectrum    1 weight  0.11000E+01 volume  0.11461E-02 ppm1      5.731 ppm2      0.771 CV     1
 ASSI {  188}
   (( segid "tbr1" and resid 45   and name HA  ))
   (  segid "tbr1" and resid 32   and name HG1%)
      3.100     1.200     1.200 peak   188 spectrum    1 weight  0.11000E+01 volume  0.19237E-02 ppm1      5.727 ppm2      0.944 CV     1
 ASSI {  189}
   (( segid "tbr1" and resid 45   and name HA  ))
   (  segid "tbr1" and resid 31   and name HD% )
      3.500     1.500     1.500 peak   189 spectrum    1 weight  0.11000E+01 volume  0.10628E-02 ppm1      5.720 ppm2      7.070 CV     1
 ASSI {  190}
   (( segid "tbr1" and resid 45   and name HA  ))
   (  segid "tbr1" and resid 13   and name HD% )
      4.100     2.100     1.900 peak   190 spectrum    1 weight  0.10000E+01 volume  0.77720E-03 ppm1      5.724 ppm2      7.367 CV     1
 ASSI {  192}
   (( segid "tbr1" and resid 43   and name HA  ))
   (( segid "tbr1" and resid 43   and name HD2 ))
      3.300     1.400     1.400 peak   192 spectrum    1 weight  0.11000E+01 volume  0.13725E-02 ppm1      5.315 ppm2      6.699 CV     1
 ASSI {  193}
   (( segid "tbr1" and resid 42   and name HB  ))
   (  segid "tbr1" and resid 42   and name HG2%)
      2.300     0.600     0.600 peak   193 spectrum    1 weight  0.11000E+01 volume  0.78805E-02 ppm1      1.687 ppm2      0.802 CV     1
 OR {  193}
   (( segid "tbr1" and resid 42   and name HB  ))
   (  segid "tbr1" and resid 42   and name HD1%)
 ASSI {  198}
   (( segid "tbr1" and resid 43   and name HA  ))
   (( segid "tbr1" and resid 43   and name HB1 ))
      2.500     0.800     0.800 peak   198 spectrum    1 weight  0.11000E+01 volume  0.46163E-02 ppm1      5.314 ppm2      2.895 CV     1
 OR {  198}
   (( segid "tbr1" and resid 43   and name HA  ))
   (( segid "tbr1" and resid 43   and name HB2 ))
 ASSI {  199}
   (( segid "tbr1" and resid 43   and name HA  ))
   (  segid "tbr1" and resid 34   and name HG2%)
      3.100     1.200     1.200 peak   199 spectrum    1 weight  0.11000E+01 volume  0.25470E-02 ppm1      5.316 ppm2      0.687 CV     1
 OR {  199}
   (( segid "tbr1" and resid 43   and name HA  ))
   (  segid "tbr1" and resid 34   and name HG1%)
 ASSI {  200}
   (( segid "tbr1" and resid 44   and name HA  ))
   (( segid "tbr1" and resid 44   and name HB1 ))
      2.500     0.800     0.800 peak   200 spectrum    1 weight  0.11000E+01 volume  0.48977E-02 ppm1      4.863 ppm2      2.651 CV     1
 ASSI {  201}
   (( segid "tbr1" and resid 44   and name HA  ))
   (( segid "tbr1" and resid 44   and name HB2 ))
      2.900     1.100     1.100 peak   201 spectrum    1 weight  0.11000E+01 volume  0.34620E-02 ppm1      4.859 ppm2      2.979 CV     1
 ASSI {  204}
   (( segid "tbr1" and resid 44   and name HB1 ))
   (  segid "tbr1" and resid 42   and name HG2%)
      3.600     3.600     2.400 peak   204 spectrum    1 weight  0.11000E+01 volume  0.12100E-02 ppm1      2.649 ppm2      0.819 CV     1
 ASSI {  205}
   (( segid "tbr1" and resid 46   and name HB1 ))
   (( segid "tbr1" and resid 46   and name HA  ))
      3.200     1.300     1.300 peak   205 spectrum    1 weight  0.11000E+01 volume  0.12349E-02 ppm1      2.349 ppm2      4.820 CV     1
 ASSI {  206}
   (( segid "tbr1" and resid 46   and name HB1 ))
   (( segid "tbr1" and resid 14   and name HB1 ))
      3.500     3.500     2.500 peak   206 spectrum    1 weight  0.11000E+01 volume  0.25609E-02 ppm1      2.351 ppm2      2.145 CV     1
 ASSI {  207}
   (( segid "tbr1" and resid 46   and name HB1 ))
   (( segid "tbr1" and resid 46   and name HB2 ))
      2.200     0.600     0.600 peak   207 spectrum    1 weight  0.11000E+01 volume  0.42874E-02 ppm1      2.353 ppm2      2.259 CV     1
 ASSI {  209}
   (( segid "tbr1" and resid 46   and name HB2 ))
   (( segid "tbr1" and resid 14   and name HB1 ))
      3.600     3.600     2.400 peak   209 spectrum    1 weight  0.11000E+01 volume  0.24184E-02 ppm1      2.261 ppm2      2.139 CV     1
 ASSI {  210}
   (( segid "tbr1" and resid 47   and name HB1 ))
   (  segid "tbr1" and resid 26   and name HG2%)
      2.800     1.000     1.000 peak   210 spectrum    1 weight  0.11000E+01 volume  0.38016E-02 ppm1      3.177 ppm2      0.868 CV     1
 ASSI {  211}
   (( segid "tbr1" and resid 47   and name HB1 ))
   (( segid "tbr1" and resid 47   and name HB2 ))
      2.200     0.600     0.600 peak   211 spectrum    1 weight  0.11000E+01 volume  0.43473E-02 ppm1      3.170 ppm2      2.696 CV     1
 ASSI {  212}
   (( segid "tbr1" and resid 47   and name HB1 ))
   (( segid "tbr1" and resid 26   and name HB  ))
      3.100     1.200     1.200 peak   212 spectrum    1 weight  0.11000E+01 volume  0.41877E-02 ppm1      3.176 ppm2      3.649 CV     1
 ASSI {  213}
   (( segid "tbr1" and resid 47   and name HB1 ))
   (( segid "tbr1" and resid 47   and name HA  ))
      2.700     0.900     0.900 peak   213 spectrum    1 weight  0.11000E+01 volume  0.22638E-02 ppm1      3.173 ppm2      4.926 CV     1
 ASSI {  214}
   (( segid "tbr1" and resid 47   and name HB2 ))
   (  segid "tbr1" and resid 26   and name HG2%)
      2.700     0.900     0.900 peak   214 spectrum    1 weight  0.11000E+01 volume  0.38923E-02 ppm1      2.701 ppm2      0.872 CV     1
 ASSI {  217}
   (( segid "tbr1" and resid 47   and name HB2 ))
   (( segid "tbr1" and resid 26   and name HB  ))
      2.700     0.900     0.900 peak   217 spectrum    1 weight  0.11000E+01 volume  0.19439E-02 ppm1      2.701 ppm2      3.653 CV     1
 ASSI {  220}
   (( segid "tbr1" and resid 48   and name HB  ))
   (  segid "tbr1" and resid 53   and name HD1%)
      3.600     1.600     1.600 peak   220 spectrum    1 weight  0.10000E+01 volume  0.15310E-02 ppm1      1.628 ppm2      0.620 CV     1
 ASSI {  221}
   (( segid "tbr1" and resid 48   and name HB  ))
   (  segid "tbr1" and resid 48   and name HG2%)
      2.300     0.700     0.700 peak   221 spectrum    1 weight  0.11000E+01 volume  0.54004E-02 ppm1      1.636 ppm2      0.855 CV     1
 ASSI {  222}
   (( segid "tbr1" and resid 48   and name HB  ))
   (( segid "tbr1" and resid 48   and name HG12))
      2.800     1.000     1.000 peak   222 spectrum    1 weight  0.11000E+01 volume  0.22911E-02 ppm1      1.636 ppm2      0.964 CV     1
 ASSI {  224}
   (( segid "tbr1" and resid 48   and name HB  ))
   (( segid "tbr1" and resid 48   and name HG11))
      2.800     1.000     1.000 peak   224 spectrum    1 weight  0.11000E+01 volume  0.16077E-02 ppm1      1.631 ppm2      1.182 CV     1
 ASSI {  226}
   (( segid "tbr1" and resid 49   and name HA  ))
   (  segid "tbr1" and resid 48   and name HG2%)
      3.100     1.200     1.200 peak   226 spectrum    1 weight  0.11000E+01 volume  0.15383E-02 ppm1      4.207 ppm2      0.847 CV     1
 ASSI {  227}
   (( segid "tbr1" and resid 49   and name HA  ))
   (  segid "tbr1" and resid 49   and name HB% )
      1.900     0.500     0.500 peak   227 spectrum    1 weight  0.11000E+01 volume  0.14684E-01 ppm1      4.212 ppm2      1.493 CV     1
 ASSI {  228}
   (( segid "tbr1" and resid 49   and name HA  ))
   (( segid "tbr1" and resid 29   and name HA  ))
      2.800     2.800     3.200 peak   228 spectrum    1 weight  0.11000E+01 volume  0.12034E-02 ppm1      4.212 ppm2      4.681 CV     1
 ASSI {  229}
   (( segid "tbr1" and resid 51   and name HB  ))
   (( segid "tbr1" and resid 51   and name HA  ))
      2.600     0.900     0.900 peak   229 spectrum    1 weight  0.11000E+01 volume  0.32045E-02 ppm1      1.796 ppm2      3.983 CV     1
 ASSI {  231}
   (( segid "tbr1" and resid 51   and name HB  ))
   (( segid "tbr1" and resid 51   and name HG11))
      3.000     1.100     1.100 peak   231 spectrum    1 weight  0.11000E+01 volume  0.14927E-02 ppm1      1.805 ppm2      1.401 CV     1
 ASSI {  232}
   (( segid "tbr1" and resid 51   and name HB  ))
   (( segid "tbr1" and resid 51   and name HG12))
      3.200     1.300     1.300 peak   232 spectrum    1 weight  0.11000E+01 volume  0.12121E-02 ppm1      1.798 ppm2      1.197 CV     1
 ASSI {  233}
   (( segid "tbr1" and resid 51   and name HB  ))
   (  segid "tbr1" and resid 51   and name HG2%)
      2.400     0.700     0.700 peak   233 spectrum    1 weight  0.11000E+01 volume  0.63265E-02 ppm1      1.802 ppm2      0.835 CV     1
 OR {  233}
   (( segid "tbr1" and resid 51   and name HB  ))
   (  segid "tbr1" and resid 51   and name HD1%)
 ASSI {  234}
   (( segid "tbr1" and resid 52   and name HA  ))
   (  segid "tbr1" and resid 54   and name HD1%)
      2.500     0.800     0.800 peak   234 spectrum    1 weight  0.11000E+01 volume  0.58209E-02 ppm1      4.812 ppm2      0.866 CV     1
 ASSI {  235}
   (( segid "tbr1" and resid 52   and name HA  ))
   (( segid "tbr1" and resid 54   and name HG11))
      3.300     1.400     1.400 peak   235 spectrum    1 weight  0.11000E+01 volume  0.12652E-02 ppm1      4.812 ppm2      0.971 CV     1
 ASSI {  237}
   (( segid "tbr1" and resid 52   and name HA  ))
   (( segid "tbr1" and resid 54   and name HG12))
      3.400     1.400     1.400 peak   237 spectrum    1 weight  0.11000E+01 volume  0.85212E-03 ppm1      4.816 ppm2      1.299 CV     1
 ASSI {  238}
   (( segid "tbr1" and resid 52   and name HA  ))
   (( segid "tbr1" and resid 51   and name HB  ))
      3.600     1.600     1.600 peak   238 spectrum    1 weight  0.11000E+01 volume  0.84698E-03 ppm1      4.799 ppm2      1.808 CV     1
 ASSI {  239}
   (( segid "tbr1" and resid 52   and name HA  ))
   (( segid "tbr1" and resid 52   and name HB1 ))
      2.500     0.800     0.800 peak   239 spectrum    1 weight  0.11000E+01 volume  0.47827E-02 ppm1      4.810 ppm2      2.577 CV     1
 ASSI {  240}
   (( segid "tbr1" and resid 52   and name HA  ))
   (( segid "tbr1" and resid 52   and name HB2 ))
      2.500     0.800     0.800 peak   240 spectrum    1 weight  0.11000E+01 volume  0.62997E-02 ppm1      4.808 ppm2      2.784 CV     1
 ASSI {  241}
   (( segid "tbr1" and resid 52   and name HA  ))
   (( segid "tbr1" and resid 51   and name HA  ))
      3.700     1.700     1.700 peak   241 spectrum    1 weight  0.10000E+01 volume  0.80207E-03 ppm1      4.807 ppm2      3.982 CV     1
 ASSI {  244}
   (( segid "tbr1" and resid 52   and name HB1 ))
   (  segid "tbr1" and resid 54   and name HD1%)
      2.800     2.800     3.200 peak   244 spectrum    1 weight  0.11000E+01 volume  0.37547E-02 ppm1      2.577 ppm2      0.860 CV     1
 ASSI {  247}
   (( segid "tbr1" and resid 53   and name HA  ))
   (  segid "tbr1" and resid 53   and name HD1%)
      3.100     1.200     1.200 peak   247 spectrum    1 weight  0.11000E+01 volume  0.11060E-02 ppm1      4.179 ppm2      0.603 CV     1
 ASSI {  249}
   (( segid "tbr1" and resid 53   and name HA  ))
   (( segid "tbr1" and resid 59   and name HB1 ))
      2.600     2.600     3.400 peak   249 spectrum    1 weight  0.11000E+01 volume  0.13936E-02 ppm1      4.180 ppm2      1.609 CV     1
 ASSI {  250}
   (( segid "tbr1" and resid 53   and name HA  ))
   (( segid "tbr1" and resid 53   and name HG  ))
      2.800     1.000     1.000 peak   250 spectrum    1 weight  0.11000E+01 volume  0.15739E-02 ppm1      4.185 ppm2      1.880 CV     1
 ASSI {  251}
   (( segid "tbr1" and resid 53   and name HA  ))
   (( segid "tbr1" and resid 59   and name HB2 ))
      4.400     2.400     1.600 peak   251 spectrum    1 weight  0.11000E+01 volume  0.10683E-02 ppm1      4.184 ppm2      1.981 CV     1
 ASSI {  252}
   (( segid "tbr1" and resid 53   and name HA  ))
   (( segid "tbr1" and resid 53   and name HB2 ))
      3.100     1.200     1.200 peak   252 spectrum    1 weight  0.11000E+01 volume  0.12614E-02 ppm1      4.172 ppm2      2.217 CV     1
 ASSI {  253}
   (( segid "tbr1" and resid 53   and name HB2 ))
   (( segid "tbr1" and resid 56   and name HD1 ))
      3.400     3.400     2.600 peak   253 spectrum    1 weight  0.11000E+01 volume  0.81234E-03 ppm1      2.210 ppm2      3.277 CV     1
 ASSI {  254}
   (( segid "tbr1" and resid 54   and name HA  ))
   (  segid "tbr1" and resid 54   and name HG2%)
      2.500     0.800     0.800 peak   254 spectrum    1 weight  0.11000E+01 volume  0.51366E-02 ppm1      4.365 ppm2      0.864 CV     1
 OR {  254}
   (( segid "tbr1" and resid 54   and name HA  ))
   (  segid "tbr1" and resid 54   and name HD1%)
 ASSI {  255}
   (( segid "tbr1" and resid 54   and name HA  ))
   (( segid "tbr1" and resid 54   and name HG11))
      3.200     1.300     1.300 peak   255 spectrum    1 weight  0.11000E+01 volume  0.16231E-02 ppm1      4.360 ppm2      0.978 CV     1
 ASSI {  256}
   (( segid "tbr1" and resid 54   and name HA  ))
   (( segid "tbr1" and resid 54   and name HG12))
      3.200     1.300     1.300 peak   256 spectrum    1 weight  0.11000E+01 volume  0.82338E-03 ppm1      4.360 ppm2      1.307 CV     1
 ASSI {  258}
   (( segid "tbr1" and resid 54   and name HA  ))
   (( segid "tbr1" and resid 55   and name HB1 ))
      4.400     2.400     1.600 peak   258 spectrum    1 weight  0.11000E+01 volume  0.11797E-02 ppm1      4.366 ppm2      2.086 CV     1
 ASSI {  259}
   (( segid "tbr1" and resid 54   and name HA  ))
   (( segid "tbr1" and resid 55   and name HB2 ))
      4.400     2.500     1.600 peak   259 spectrum    1 weight  0.11000E+01 volume  0.10587E-02 ppm1      4.360 ppm2      2.411 CV     1
 ASSI {  260}
   (( segid "tbr1" and resid 54   and name HA  ))
   (( segid "tbr1" and resid 55   and name HA  ))
      2.300     0.600     0.600 peak   260 spectrum    1 weight  0.11000E+01 volume  0.48885E-02 ppm1      4.365 ppm2      4.807 CV     1
 ASSI {  261}
   (( segid "tbr1" and resid 54   and name HB  ))
   (  segid "tbr1" and resid 54   and name HG2%)
      2.500     0.800     0.800 peak   261 spectrum    1 weight  0.11000E+01 volume  0.58488E-02 ppm1      1.691 ppm2      0.865 CV     1
 OR {  261}
   (( segid "tbr1" and resid 54   and name HB  ))
   (  segid "tbr1" and resid 54   and name HD1%)
 ASSI {  262}
   (( segid "tbr1" and resid 54   and name HB  ))
   (( segid "tbr1" and resid 54   and name HG11))
      2.600     0.800     0.800 peak   262 spectrum    1 weight  0.11000E+01 volume  0.29412E-02 ppm1      1.691 ppm2      0.970 CV     1
 ASSI {  263}
   (( segid "tbr1" and resid 54   and name HB  ))
   (( segid "tbr1" and resid 54   and name HG12))
      2.900     1.100     1.100 peak   263 spectrum    1 weight  0.11000E+01 volume  0.27168E-02 ppm1      1.687 ppm2      1.308 CV     1
 ASSI {  265}
   (( segid "tbr1" and resid 54   and name HB  ))
   (( segid "tbr1" and resid 54   and name HA  ))
      3.000     1.200     1.200 peak   265 spectrum    1 weight  0.11000E+01 volume  0.15066E-02 ppm1      1.692 ppm2      4.362 CV     1
 ASSI {  266}
   (( segid "tbr1" and resid 54   and name HB  ))
   (( segid "tbr1" and resid 55   and name HA  ))
      4.000     2.000     2.000 peak   266 spectrum    1 weight  0.11000E+01 volume  0.10953E-02 ppm1      1.694 ppm2      4.821 CV     1
 ASSI {  268}
   (( segid "tbr1" and resid 55   and name HB1 ))
   (( segid "tbr1" and resid 55   and name HA  ))
      2.400     0.700     0.700 peak   268 spectrum    1 weight  0.11000E+01 volume  0.31653E-02 ppm1      2.085 ppm2      4.810 CV     1
 ASSI {  271}
   (( segid "tbr1" and resid 55   and name HB1 ))
   (( segid "tbr1" and resid 55   and name HD2 ))
      3.700     1.700     1.700 peak   271 spectrum    1 weight  0.11000E+01 volume  0.13931E-02 ppm1      2.081 ppm2      3.077 CV     1
 ASSI {  272}
   (( segid "tbr1" and resid 55   and name HB1 ))
   (( segid "tbr1" and resid 55   and name HB2 ))
      1.900     0.500     0.500 peak   272 spectrum    1 weight  0.11000E+01 volume  0.75106E-02 ppm1      2.083 ppm2      2.401 CV     1
 ASSI {  274}
   (( segid "tbr1" and resid 55   and name HB1 ))
   (( segid "tbr1" and resid 55   and name HG2 ))
      3.100     1.200     1.200 peak   274 spectrum    1 weight  0.11000E+01 volume  0.26579E-02 ppm1      2.085 ppm2      1.831 CV     1
 ASSI {  276}
   (( segid "tbr1" and resid 55   and name HB1 ))
   (( segid "tbr1" and resid 58   and name HB1 ))
      4.000     2.000     2.000 peak   276 spectrum    1 weight  0.10000E+01 volume  0.10657E-02 ppm1      2.087 ppm2      1.504 CV     1
 ASSI {  277}
   (( segid "tbr1" and resid 55   and name HB1 ))
   (  segid "tbr1" and resid 54   and name HG2%)
      3.600     1.600     1.600 peak   277 spectrum    1 weight  0.11000E+01 volume  0.13279E-02 ppm1      2.079 ppm2      0.854 CV     1
 ASSI {  278}
   (( segid "tbr1" and resid 55   and name HD1 ))
   (  segid "tbr1" and resid 54   and name HG2%)
      3.500     1.500     1.500 peak   278 spectrum    1 weight  0.11000E+01 volume  0.65876E-03 ppm1      3.761 ppm2      0.862 CV     1
 ASSI {  281}
   (( segid "tbr1" and resid 55   and name HD1 ))
   (( segid "tbr1" and resid 55   and name HG2 ))
      3.000     1.100     1.100 peak   281 spectrum    1 weight  0.11000E+01 volume  0.30001E-02 ppm1      3.759 ppm2      1.837 CV     1
 ASSI {  282}
   (( segid "tbr1" and resid 55   and name HD1 ))
   (( segid "tbr1" and resid 55   and name HB1 ))
      3.400     1.500     1.500 peak   282 spectrum    1 weight  0.11000E+01 volume  0.13095E-02 ppm1      3.750 ppm2      2.071 CV     1
 ASSI {  283}
   (( segid "tbr1" and resid 55   and name HD1 ))
   (( segid "tbr1" and resid 55   and name HB2 ))
      3.900     1.900     1.900 peak   283 spectrum    1 weight  0.11000E+01 volume  0.99423E-03 ppm1      3.758 ppm2      2.393 CV     1
 ASSI {  285}
   (( segid "tbr1" and resid 55   and name HD1 ))
   (( segid "tbr1" and resid 60   and name HB2 ))
      4.100     2.100     1.900 peak   285 spectrum    1 weight  0.11000E+01 volume  0.12618E-02 ppm1      3.755 ppm2      3.195 CV     1
 ASSI {  287}
   (( segid "tbr1" and resid 55   and name HD1 ))
   (( segid "tbr1" and resid 59   and name HA  ))
      3.700     1.700     1.700 peak   287 spectrum    1 weight  0.11000E+01 volume  0.13928E-02 ppm1      3.769 ppm2      4.269 CV     1
 ASSI {  288}
   (( segid "tbr1" and resid 55   and name HD1 ))
   (( segid "tbr1" and resid 55   and name HA  ))
      3.400     1.500     1.500 peak   288 spectrum    1 weight  0.11000E+01 volume  0.85218E-03 ppm1      3.739 ppm2      4.800 CV     1
 ASSI {  289}
   (( segid "tbr1" and resid 55   and name HD2 ))
   (  segid "tbr1" and resid 54   and name HD1%)
      2.600     2.600     3.400 peak   289 spectrum    1 weight  0.11000E+01 volume  0.19426E-02 ppm1      3.080 ppm2      0.861 CV     1
 ASSI {  290}
   (( segid "tbr1" and resid 55   and name HD2 ))
   (( segid "tbr1" and resid 55   and name HG1 ))
      3.100     1.200     1.200 peak   290 spectrum    1 weight  0.11000E+01 volume  0.25788E-02 ppm1      3.078 ppm2      1.643 CV     1
 ASSI {  291}
   (( segid "tbr1" and resid 55   and name HD2 ))
   (( segid "tbr1" and resid 55   and name HG2 ))
      2.700     0.900     0.900 peak   291 spectrum    1 weight  0.11000E+01 volume  0.18855E-02 ppm1      3.075 ppm2      1.836 CV     1
 ASSI {  293}
   (( segid "tbr1" and resid 55   and name HD2 ))
   (( segid "tbr1" and resid 55   and name HB2 ))
      3.500     1.600     1.600 peak   293 spectrum    1 weight  0.11000E+01 volume  0.10668E-02 ppm1      3.071 ppm2      2.396 CV     1
 ASSI {  295}
   (( segid "tbr1" and resid 55   and name HD2 ))
   (( segid "tbr1" and resid 55   and name HD1 ))
      2.300     0.700     0.700 peak   295 spectrum    1 weight  0.11000E+01 volume  0.25448E-02 ppm1      3.076 ppm2      3.758 CV     1
 ASSI {  297}
   (( segid "tbr1" and resid 55   and name HD2 ))
   (( segid "tbr1" and resid 60   and name HA  ))
      3.700     1.700     1.700 peak   297 spectrum    1 weight  0.11000E+01 volume  0.10239E-02 ppm1      3.075 ppm2      4.380 CV     1
 ASSI {  298}
   (( segid "tbr1" and resid 55   and name HD2 ))
   (( segid "tbr1" and resid 55   and name HA  ))
      3.700     1.700     1.700 peak   298 spectrum    1 weight  0.11000E+01 volume  0.62725E-03 ppm1      3.082 ppm2      4.812 CV     1
 ASSI {  299}
   (( segid "tbr1" and resid 57   and name HB2 ))
   (( segid "tbr1" and resid 58   and name HG1 ))
      3.600     1.700     1.700 peak   299 spectrum    1 weight  0.11000E+01 volume  0.14177E-02 ppm1      2.611 ppm2      1.479 CV     1
 OR {  299}
   (( segid "tbr1" and resid 57   and name HB1 ))
   (( segid "tbr1" and resid 58   and name HG1 ))
 OR {  299}
   (( segid "tbr1" and resid 57   and name HB2 ))
   (( segid "tbr1" and resid 58   and name HG2 ))
 OR {  299}
   (( segid "tbr1" and resid 57   and name HB1 ))
   (( segid "tbr1" and resid 58   and name HG2 ))
 ASSI {  300}
   (( segid "tbr1" and resid 58   and name HA  ))
   (( segid "tbr1" and resid 59   and name HD1 ))
      3.100     1.200     1.200 peak   300 spectrum    1 weight  0.11000E+01 volume  0.36258E-02 ppm1      4.343 ppm2      3.430 CV     1
 ASSI {  301}
   (( segid "tbr1" and resid 58   and name HA  ))
   (( segid "tbr1" and resid 59   and name HD2 ))
      2.200     0.600     0.600 peak   301 spectrum    1 weight  0.11000E+01 volume  0.35764E-02 ppm1      4.344 ppm2      3.295 CV     1
 ASSI {  302}
   (( segid "tbr1" and resid 58   and name HA  ))
   (( segid "tbr1" and resid 58   and name HD2 ))
      3.900     1.900     1.900 peak   302 spectrum    1 weight  0.11000E+01 volume  0.85168E-03 ppm1      4.350 ppm2      3.135 CV     1
 OR {  302}
   (( segid "tbr1" and resid 58   and name HA  ))
   (( segid "tbr1" and resid 58   and name HD1 ))
 ASSI {  303}
   (( segid "tbr1" and resid 58   and name HA  ))
   (( segid "tbr1" and resid 59   and name HG2 ))
      4.300     2.300     1.700 peak   303 spectrum    1 weight  0.11000E+01 volume  0.10074E-02 ppm1      4.336 ppm2      1.911 CV     1
 ASSI {  304}
   (( segid "tbr1" and resid 58   and name HA  ))
   (( segid "tbr1" and resid 59   and name HG1 ))
      4.700     2.700     1.300 peak   304 spectrum    1 weight  0.11000E+01 volume  0.10152E-02 ppm1      4.341 ppm2      1.811 CV     1
 ASSI {  305}
   (( segid "tbr1" and resid 58   and name HA  ))
   (( segid "tbr1" and resid 58   and name HB2 ))
      2.700     0.900     0.900 peak   305 spectrum    1 weight  0.11000E+01 volume  0.20707E-02 ppm1      4.343 ppm2      1.689 CV     1
 ASSI {  306}
   (( segid "tbr1" and resid 58   and name HA  ))
   (( segid "tbr1" and resid 58   and name HB1 ))
      3.300     1.400     1.400 peak   306 spectrum    1 weight  0.11000E+01 volume  0.10139E-02 ppm1      4.341 ppm2      1.551 CV     1
 ASSI {  307}
   (( segid "tbr1" and resid 58   and name HA  ))
   (( segid "tbr1" and resid 58   and name HG1 ))
      2.600     0.800     0.800 peak   307 spectrum    1 weight  0.11000E+01 volume  0.33887E-02 ppm1      4.344 ppm2      1.472 CV     1
 OR {  307}
   (( segid "tbr1" and resid 58   and name HA  ))
   (( segid "tbr1" and resid 58   and name HG2 ))
 ASSI {  309}
   (( segid "tbr1" and resid 59   and name HD2 ))
   (( segid "tbr1" and resid 29   and name HG  ))
      3.000     3.000     3.000 peak   309 spectrum    1 weight  0.10000E+01 volume  0.84660E-03 ppm1      3.302 ppm2      1.498 CV     1
 ASSI {  310}
   (( segid "tbr1" and resid 59   and name HD2 ))
   (( segid "tbr1" and resid 58   and name HB2 ))
      4.400     2.400     1.600 peak   310 spectrum    1 weight  0.11000E+01 volume  0.95223E-03 ppm1      3.301 ppm2      1.670 CV     1
 ASSI {  311}
   (( segid "tbr1" and resid 59   and name HD2 ))
   (( segid "tbr1" and resid 59   and name HG1 ))
      2.900     1.100     1.100 peak   311 spectrum    1 weight  0.11000E+01 volume  0.20358E-02 ppm1      3.290 ppm2      1.809 CV     1
 ASSI {  312}
   (( segid "tbr1" and resid 59   and name HD2 ))
   (( segid "tbr1" and resid 59   and name HG2 ))
      3.100     1.200     1.200 peak   312 spectrum    1 weight  0.11000E+01 volume  0.78557E-03 ppm1      3.292 ppm2      1.920 CV     1
 OR {  312}
   (( segid "tbr1" and resid 59   and name HD2 ))
   (( segid "tbr1" and resid 59   and name HB2 ))
 ASSI {  314}
   (( segid "tbr1" and resid 59   and name HD2 ))
   (( segid "tbr1" and resid 59   and name HD1 ))
      2.200     0.600     0.600 peak   314 spectrum    1 weight  0.11000E+01 volume  0.25390E-02 ppm1      3.296 ppm2      3.430 CV     1
 ASSI {  317}
   (( segid "tbr1" and resid 60   and name HB1 ))
   (  segid "tbr1" and resid 61   and name HG1%)
      4.200     2.200     1.800 peak   317 spectrum    1 weight  0.11000E+01 volume  0.73184E-03 ppm1      3.375 ppm2      0.865 CV     1
 ASSI {  319}
   (( segid "tbr1" and resid 60   and name HB1 ))
   (( segid "tbr1" and resid 58   and name HB1 ))
      3.200     3.200     2.800 peak   319 spectrum    1 weight  0.11000E+01 volume  0.57759E-03 ppm1      3.360 ppm2      1.555 CV     1
 ASSI {  321}
   (( segid "tbr1" and resid 62   and name HA  ))
   (  segid "tbr1" and resid 61   and name HG1%)
      3.100     3.100     2.900 peak   321 spectrum    1 weight  0.11000E+01 volume  0.17499E-02 ppm1      4.600 ppm2      0.893 CV     1
 ASSI {  322}
   (( segid "tbr1" and resid 62   and name HA  ))
   (  segid "tbr1" and resid 74   and name HG2%)
      2.700     0.900     0.900 peak   322 spectrum    1 weight  0.11000E+01 volume  0.31948E-02 ppm1      4.597 ppm2      1.030 CV     1
 ASSI {  326}
   (( segid "tbr1" and resid 62   and name HA  ))
   (( segid "tbr1" and resid 62   and name HB2 ))
      2.700     0.900     0.900 peak   326 spectrum    1 weight  0.11000E+01 volume  0.24329E-02 ppm1      4.599 ppm2      2.774 CV     1
 ASSI {  327}
   (( segid "tbr1" and resid 62   and name HA  ))
   (( segid "tbr1" and resid 62   and name HB1 ))
      3.100     1.200     1.200 peak   327 spectrum    1 weight  0.11000E+01 volume  0.21732E-02 ppm1      4.591 ppm2      3.244 CV     1
 ASSI {  328}
   (( segid "tbr1" and resid 62   and name HA  ))
   (( segid "tbr1" and resid 74   and name HB  ))
      3.200     1.300     1.300 peak   328 spectrum    1 weight  0.11000E+01 volume  0.10031E-02 ppm1      4.584 ppm2      3.739 CV     1
 ASSI {  329}
   (( segid "tbr1" and resid 62   and name HA  ))
   (  segid "tbr1" and resid 60   and name HD% )
      3.600     3.600     2.400 peak   329 spectrum    1 weight  0.11000E+01 volume  0.89450E-03 ppm1      4.590 ppm2      7.359 CV     1
 ASSI {  331}
   (( segid "tbr1" and resid 62   and name HB2 ))
   (( segid "tbr1" and resid 76   and name HB1 ))
      3.000     1.100     1.100 peak   331 spectrum    1 weight  0.11000E+01 volume  0.13393E-02 ppm1      2.771 ppm2      3.034 CV     1
 ASSI {  332}
   (( segid "tbr1" and resid 62   and name HB2 ))
   (( segid "tbr1" and resid 62   and name HB1 ))
      2.200     0.600     0.600 peak   332 spectrum    1 weight  0.11000E+01 volume  0.46659E-02 ppm1      2.777 ppm2      3.250 CV     1
 ASSI {  333}
   (( segid "tbr1" and resid 62   and name HB2 ))
   (( segid "tbr1" and resid 76   and name HB2 ))
      3.300     1.400     1.400 peak   333 spectrum    1 weight  0.11000E+01 volume  0.12766E-02 ppm1      2.788 ppm2      3.416 CV     1
 ASSI {  337}
   (( segid "tbr1" and resid 63   and name HA  ))
   (( segid "tbr1" and resid 91   and name HB  ))
      2.900     2.900     3.100 peak   337 spectrum    1 weight  0.10000E+01 volume  0.21762E-02 ppm1      4.604 ppm2      2.040 CV     1
 ASSI {  338}
   (( segid "tbr1" and resid 63   and name HA  ))
   (( segid "tbr1" and resid 64   and name HD1 ))
      2.300     0.700     0.700 peak   338 spectrum    1 weight  0.11000E+01 volume  0.54775E-02 ppm1      4.605 ppm2      3.633 CV     1
 ASSI {  339}
   (( segid "tbr1" and resid 63   and name HA  ))
   (( segid "tbr1" and resid 64   and name HD2 ))
      2.500     2.500     3.500 peak   339 spectrum    1 weight  0.11000E+01 volume  0.67918E-02 ppm1      4.603 ppm2      3.762 CV     1
 ASSI {  340}
   (( segid "tbr1" and resid 63   and name HA  ))
   (( segid "tbr1" and resid 62   and name HA  ))
      2.200     2.200     3.800 peak   340 spectrum    1 weight  0.11000E+01 volume  0.16705E-01 ppm1      4.604 ppm2      4.601 CV     1
 ASSI {  342}
   (( segid "tbr1" and resid 75   and name HA  ))
   (( segid "tbr1" and resid 86   and name HG1 ))
      3.100     3.100     2.900 peak   342 spectrum    1 weight  0.11000E+01 volume  0.69955E-03 ppm1      4.862 ppm2      2.011 CV     1
 ASSI {  343}
   (( segid "tbr1" and resid 75   and name HA  ))
   (  segid "tbr1" and resid 75   and name HE% )
      3.700     1.700     1.700 peak   343 spectrum    1 weight  0.10000E+01 volume  0.16386E-02 ppm1      4.859 ppm2      6.737 CV     1
 ASSI {  344}
   (( segid "tbr1" and resid 75   and name HA  ))
   (  segid "tbr1" and resid 75   and name HD% )
      2.600     0.900     0.900 peak   344 spectrum    1 weight  0.11000E+01 volume  0.41576E-02 ppm1      4.861 ppm2      6.856 CV     1
 ASSI {  346}
   (( segid "tbr1" and resid 83   and name HA  ))
   (( segid "tbr1" and resid 30   and name HA  ))
      2.900     2.900     3.100 peak   346 spectrum    1 weight  0.11000E+01 volume  0.10079E-02 ppm1      4.518 ppm2      5.372 CV     1
 ASSI {  347}
   (( segid "tbr1" and resid 83   and name HA  ))
   (  segid "tbr1" and resid 75   and name HD% )
      3.100     1.200     1.200 peak   347 spectrum    1 weight  0.10000E+01 volume  0.12900E-02 ppm1      4.523 ppm2      6.861 CV     1
 ASSI {  348}
   (( segid "tbr1" and resid 83   and name HA  ))
   (  segid "tbr1" and resid 75   and name HE% )
      3.000     3.000     3.000 peak   348 spectrum    1 weight  0.10000E+01 volume  0.80302E-03 ppm1      4.521 ppm2      6.739 CV     1
 ASSI {  349}
   (( segid "tbr1" and resid 33   and name HA  ))
   (  segid "tbr1" and resid 72   and name HG2%)
      3.000     1.200     1.200 peak   349 spectrum    1 weight  0.11000E+01 volume  0.19009E-02 ppm1      5.281 ppm2      1.131 CV     1
 ASSI {  350}
   (( segid "tbr1" and resid 33   and name HA  ))
   (  segid "tbr1" and resid 74   and name HG2%)
      2.800     1.000     1.000 peak   350 spectrum    1 weight  0.11000E+01 volume  0.23473E-02 ppm1      5.276 ppm2      1.034 CV     1
 ASSI {  351}
   (( segid "tbr1" and resid 33   and name HA  ))
   (( segid "tbr1" and resid 34   and name HB  ))
      4.300     2.300     1.700 peak   351 spectrum    1 weight  0.10000E+01 volume  0.10022E-02 ppm1      5.274 ppm2      1.897 CV     1
 ASSI {  353}
   (( segid "tbr1" and resid 79   and name HA  ))
   (  segid "tbr1" and resid 10   and name HD1%)
      2.600     0.900     0.900 peak   353 spectrum    1 weight  0.10000E+01 volume  0.39960E-02 ppm1      4.671 ppm2      0.709 CV     1
 OR {  353}
   (( segid "tbr1" and resid 79   and name HA  ))
   (( segid "tbr1" and resid 10   and name HG  ))
 ASSI {  354}
   (( segid "tbr1" and resid 39   and name HA  ))
   (  segid "tbr1" and resid 42   and name HD1%)
      3.600     3.600     2.400 peak   354 spectrum    1 weight  0.10000E+01 volume  0.11770E-02 ppm1      4.654 ppm2      0.814 CV     1
 OR {  354}
   (( segid "tbr1" and resid 39   and name HA  ))
   (  segid "tbr1" and resid 42   and name HG2%)
 ASSI {  355}
   (( segid "tbr1" and resid 39   and name HA  ))
   (( segid "tbr1" and resid 40   and name HG2 ))
      3.100     3.100     2.900 peak   355 spectrum    1 weight  0.11000E+01 volume  0.19792E-02 ppm1      4.662 ppm2      1.252 CV     1
 ASSI {  356}
   (( segid "tbr1" and resid 79   and name HA  ))
   (( segid "tbr1" and resid 79   and name HB1 ))
      2.600     0.800     0.800 peak   356 spectrum    1 weight  0.10000E+01 volume  0.31923E-02 ppm1      4.672 ppm2      1.812 CV     1
 ASSI {  357}
   (( segid "tbr1" and resid 79   and name HA  ))
   (( segid "tbr1" and resid 79   and name HB2 ))
      2.800     1.000     1.000 peak   357 spectrum    1 weight  0.10000E+01 volume  0.37190E-02 ppm1      4.669 ppm2      2.086 CV     1
 ASSI {  358}
   (( segid "tbr1" and resid 79   and name HA  ))
   (( segid "tbr1" and resid 79   and name HG1 ))
      2.500     0.800     0.800 peak   358 spectrum    1 weight  0.10000E+01 volume  0.64975E-02 ppm1      4.670 ppm2      2.371 CV     1
 OR {  358}
   (( segid "tbr1" and resid 79   and name HA  ))
   (( segid "tbr1" and resid 79   and name HG2 ))
 ASSI {  360}
   (( segid "tbr1" and resid 39   and name HA  ))
   (( segid "tbr1" and resid 39   and name HB2 ))
      2.300     0.600     0.600 peak   360 spectrum    1 weight  0.11000E+01 volume  0.10734E-01 ppm1      4.658 ppm2      2.606 CV     1
 ASSI {  361}
   (( segid "tbr1" and resid 39   and name HA  ))
   (( segid "tbr1" and resid 39   and name HB1 ))
      2.300     0.700     0.700 peak   361 spectrum    1 weight  0.11000E+01 volume  0.10043E-01 ppm1      4.657 ppm2      2.672 CV     1
 ASSI {  362}
   (( segid "tbr1" and resid 79   and name HA  ))
   (( segid "tbr1" and resid 77   and name HB2 ))
      3.800     3.800     2.200 peak   362 spectrum    1 weight  0.10000E+01 volume  0.96263E-03 ppm1      4.664 ppm2      3.462 CV     1
 ASSI {  363}
   (( segid "tbr1" and resid 39   and name HA  ))
   (( segid "tbr1" and resid 40   and name HE1 ))
      3.700     1.700     1.700 peak   363 spectrum    1 weight  0.11000E+01 volume  0.91220E-03 ppm1      4.661 ppm2      2.906 CV     1
 OR {  363}
   (( segid "tbr1" and resid 39   and name HA  ))
   (( segid "tbr1" and resid 40   and name HE2 ))
 ASSI {  364}
   (( segid "tbr1" and resid 40   and name HE2 ))
   (  segid "tbr1" and resid 42   and name HD1%)
      2.700     0.900     0.900 peak   364 spectrum    1 weight  0.11000E+01 volume  0.39930E-02 ppm1      2.917 ppm2      0.792 CV     1
 OR {  364}
   (( segid "tbr1" and resid 40   and name HE1 ))
   (  segid "tbr1" and resid 42   and name HD1%)
 ASSI {  365}
   (( segid "tbr1" and resid 44   and name HA  ))
   (  segid "tbr1" and resid 42   and name HG2%)
      3.600     3.600     2.400 peak   365 spectrum    1 weight  0.11000E+01 volume  0.95286E-03 ppm1      4.859 ppm2      0.790 CV     1
 ASSI {  366}
   (( segid "tbr1" and resid 44   and name HA  ))
   (  segid "tbr1" and resid 32   and name HG1%)
      3.700     1.700     1.700 peak   366 spectrum    1 weight  0.11000E+01 volume  0.62470E-03 ppm1      4.862 ppm2      0.934 CV     1
 ASSI {    2}
   (  segid "tbr1" and resid 85   and name HD1%)
   (( segid "tbr1" and resid 85   and name HG11))
      2.500     0.800     0.800 peak     2 spectrum    1 weight  0.10000E+01 volume  0.56116E-02 ppm1      0.512 ppm2      0.913 CV     1
 ASSI {    3}
   (  segid "tbr1" and resid 48   and name HD1%)
   (( segid "tbr1" and resid 48   and name HG12))
      2.300     0.700     0.700 peak     3 spectrum    1 weight  0.10000E+01 volume  0.61182E-02 ppm1      0.433 ppm2      0.949 CV     1
 ASSI {    4}
   (  segid "tbr1" and resid 48   and name HD1%)
   (  segid "tbr1" and resid 48   and name HG2%)
      2.100     0.600     0.600 peak     4 spectrum    1 weight  0.11000E+01 volume  0.11583E-01 ppm1      0.437 ppm2      0.855 CV     1
 ASSI {    6}
   (( segid "tbr1" and resid 19   and name HB1 ))
   (( segid "tbr1" and resid 19   and name HD1 ))
      2.800     1.000     1.000 peak     6 spectrum    1 weight  0.11000E+01 volume  0.31283E-02 ppm1      1.706 ppm2      1.609 CV     1
 OR {    6}
   (( segid "tbr1" and resid 19   and name HB1 ))
   (( segid "tbr1" and resid 19   and name HD2 ))
 ASSI {    8}
   (( segid "tbr1" and resid 19   and name HB1 ))
   (( segid "tbr1" and resid 19   and name HB2 ))
      1.700     0.300     0.500 peak     8 spectrum    1 weight  0.11000E+01 volume  0.20912E-01 ppm1      1.713 ppm2      1.807 CV     1
 ASSI {    9}
   (( segid "tbr1" and resid 19   and name HB1 ))
   (( segid "tbr1" and resid 19   and name HG1 ))
      2.500     0.800     0.800 peak     9 spectrum    1 weight  0.11000E+01 volume  0.45651E-02 ppm1      1.715 ppm2      1.372 CV     1
 OR {    9}
   (( segid "tbr1" and resid 19   and name HB1 ))
   (( segid "tbr1" and resid 19   and name HG2 ))
 ASSI {   11}
   (( segid "tbr1" and resid 25   and name HB  ))
   (( segid "tbr1" and resid 25   and name HA  ))
      2.500     0.800     0.800 peak    11 spectrum    1 weight  0.11000E+01 volume  0.37905E-02 ppm1      1.785 ppm2      5.261 CV     1
 ASSI {   12}
   (  segid "tbr1" and resid 25   and name HG1%)
   (( segid "tbr1" and resid 25   and name HA  ))
      3.100     1.200     1.200 peak    12 spectrum    1 weight  0.11000E+01 volume  0.30686E-02 ppm1      0.810 ppm2      5.255 CV     1
 ASSI {   13}
   (  segid "tbr1" and resid 25   and name HG1%)
   (( segid "tbr1" and resid 11   and name HA  ))
      3.700     1.800     1.800 peak    13 spectrum    1 weight  0.11000E+01 volume  0.17648E-02 ppm1      0.809 ppm2      5.043 CV     1
 ASSI {   15}
   (  segid "tbr1" and resid 25   and name HG1%)
   (( segid "tbr1" and resid 25   and name HB  ))
      2.800     1.000     1.000 peak    15 spectrum    1 weight  0.11000E+01 volume  0.25250E-02 ppm1      0.811 ppm2      1.785 CV     1
 ASSI {   16}
   (  segid "tbr1" and resid 25   and name HG2%)
   (( segid "tbr1" and resid 11   and name HA  ))
      3.200     1.300     1.300 peak    16 spectrum    1 weight  0.11000E+01 volume  0.21700E-02 ppm1      0.782 ppm2      5.045 CV     1
 ASSI {   17}
   (  segid "tbr1" and resid 25   and name HG2%)
   (( segid "tbr1" and resid 25   and name HA  ))
      2.800     1.000     1.000 peak    17 spectrum    1 weight  0.11000E+01 volume  0.28034E-02 ppm1      0.777 ppm2      5.260 CV     1
 ASSI {   19}
   (  segid "tbr1" and resid 25   and name HG2%)
   (( segid "tbr1" and resid 25   and name HB  ))
      2.400     0.700     0.700 peak    19 spectrum    1 weight  0.11000E+01 volume  0.57530E-02 ppm1      0.777 ppm2      1.783 CV     1
 ASSI {   20}
   (  segid "tbr1" and resid 9    and name HB% )
   (  segid "tbr1" and resid 25   and name HG2%)
      2.200     0.600     0.600 peak    20 spectrum    1 weight  0.11000E+01 volume  0.13546E-01 ppm1      1.216 ppm2      0.796 CV     1
 ASSI {   21}
   (  segid "tbr1" and resid 9    and name HB% )
   (( segid "tbr1" and resid 25   and name HB  ))
      3.400     1.400     1.400 peak    21 spectrum    1 weight  0.11000E+01 volume  0.23021E-02 ppm1      1.215 ppm2      1.788 CV     1
 ASSI {   24}
   (( segid "tbr1" and resid 10   and name HG  ))
   (( segid "tbr1" and resid 10   and name HB1 ))
      2.000     0.500     0.500 peak    24 spectrum    1 weight  0.11000E+01 volume  0.12399E-01 ppm1      0.735 ppm2      1.250 CV     1
 ASSI {   25}
   (( segid "tbr1" and resid 10   and name HG  ))
   (( segid "tbr1" and resid 10   and name HB2 ))
      2.800     1.000     1.000 peak    25 spectrum    1 weight  0.11000E+01 volume  0.18122E-02 ppm1      0.734 ppm2      1.553 CV     1
 ASSI {   28}
   (( segid "tbr1" and resid 10   and name HG  ))
   (( segid "tbr1" and resid 10   and name HA  ))
      3.700     1.700     1.700 peak    28 spectrum    1 weight  0.11000E+01 volume  0.12498E-02 ppm1      0.737 ppm2      4.366 CV     1
 ASSI {   30}
   (( segid "tbr1" and resid 10   and name HG  ))
   (( segid "tbr1" and resid 79   and name HA  ))
      2.600     2.600     3.400 peak    30 spectrum    1 weight  0.11000E+01 volume  0.54660E-02 ppm1      0.735 ppm2      4.675 CV     1
 ASSI {   31}
   (( segid "tbr1" and resid 10   and name HG  ))
   (( segid "tbr1" and resid 80   and name HA  ))
      3.800     1.800     1.800 peak    31 spectrum    1 weight  0.11000E+01 volume  0.89494E-03 ppm1      0.739 ppm2      4.888 CV     1
 ASSI {   32}
   (( segid "tbr1" and resid 10   and name HG  ))
   (( segid "tbr1" and resid 78   and name HA  ))
      2.700     0.900     0.900 peak    32 spectrum    1 weight  0.11000E+01 volume  0.27308E-02 ppm1      0.735 ppm2      5.002 CV     1
 ASSI {   34}
   (  segid "tbr1" and resid 10   and name HD1%)
   (  segid "tbr1" and resid 26   and name HG2%)
      3.400     1.500     1.500 peak    34 spectrum    1 weight  0.10000E+01 volume  0.23079E-02 ppm1      0.701 ppm2      0.880 CV     1
 ASSI {   35}
   (  segid "tbr1" and resid 10   and name HD1%)
   (( segid "tbr1" and resid 10   and name HB2 ))
      3.700     1.700     1.700 peak    35 spectrum    1 weight  0.11000E+01 volume  0.14285E-02 ppm1      0.699 ppm2      1.569 CV     1
 ASSI {   39}
   (  segid "tbr1" and resid 10   and name HD1%)
   (( segid "tbr1" and resid 10   and name HA  ))
      2.500     0.800     0.800 peak    39 spectrum    1 weight  0.11000E+01 volume  0.36761E-02 ppm1      0.706 ppm2      4.373 CV     1
 ASSI {   40}
   (  segid "tbr1" and resid 10   and name HD1%)
   (( segid "tbr1" and resid 79   and name HA  ))
      3.000     1.100     1.100 peak    40 spectrum    1 weight  0.11000E+01 volume  0.19297E-02 ppm1      0.689 ppm2      4.682 CV     1
 ASSI {   41}
   (  segid "tbr1" and resid 10   and name HD1%)
   (( segid "tbr1" and resid 80   and name HA  ))
      3.000     1.100     1.100 peak    41 spectrum    1 weight  0.11000E+01 volume  0.14281E-02 ppm1      0.689 ppm2      4.888 CV     1
 ASSI {   43}
   (( segid "tbr1" and resid 11   and name HB1 ))
   (( segid "tbr1" and resid 11   and name HG2 ))
      2.400     0.700     0.700 peak    43 spectrum    1 weight  0.11000E+01 volume  0.39548E-02 ppm1      1.446 ppm2      2.345 CV     1
 ASSI {   44}
   (( segid "tbr1" and resid 11   and name HB1 ))
   (( segid "tbr1" and resid 11   and name HG1 ))
      3.100     1.200     1.200 peak    44 spectrum    1 weight  0.11000E+01 volume  0.25678E-02 ppm1      1.442 ppm2      1.996 CV     1
 ASSI {   45}
   (( segid "tbr1" and resid 11   and name HB1 ))
   (( segid "tbr1" and resid 11   and name HB2 ))
      2.000     0.500     0.500 peak    45 spectrum    1 weight  0.11000E+01 volume  0.80169E-02 ppm1      1.444 ppm2      1.668 CV     1
 ASSI {   48}
   (( segid "tbr1" and resid 11   and name HB1 ))
   (  segid "tbr1" and resid 25   and name HG1%)
      4.200     2.200     1.800 peak    48 spectrum    1 weight  0.11000E+01 volume  0.86544E-03 ppm1      1.434 ppm2      0.811 CV     1
 OR {   48}
   (( segid "tbr1" and resid 11   and name HB1 ))
   (  segid "tbr1" and resid 25   and name HG2%)
 ASSI {   49}
   (( segid "tbr1" and resid 11   and name HB1 ))
   (( segid "tbr1" and resid 12   and name HA  ))
      3.200     3.200     2.800 peak    49 spectrum    1 weight  0.11000E+01 volume  0.11474E-02 ppm1      1.453 ppm2      4.895 CV     1
 ASSI {   51}
   (( segid "tbr1" and resid 11   and name HB1 ))
   (( segid "tbr1" and resid 25   and name HA  ))
      4.400     2.400     1.600 peak    51 spectrum    1 weight  0.11000E+01 volume  0.73755E-03 ppm1      1.447 ppm2      5.282 CV     1
 ASSI {   52}
   (( segid "tbr1" and resid 11   and name HB1 ))
   (( segid "tbr1" and resid 21   and name HD22))
      3.800     3.800     2.200 peak    52 spectrum    1 weight  0.10000E+01 volume  0.85320E-03 ppm1      1.447 ppm2      7.624 CV     1
 ASSI {   53}
   (( segid "tbr1" and resid 11   and name HB1 ))
   (  segid "tbr1" and resid 10   and name HD1%)
      4.100     2.100     1.900 peak    53 spectrum    1 weight  0.11000E+01 volume  0.87318E-03 ppm1      1.454 ppm2      0.686 CV     1
 ASSI {   56}
   (( segid "tbr1" and resid 11   and name HB2 ))
   (( segid "tbr1" and resid 80   and name HB2 ))
      3.600     1.600     1.600 peak    56 spectrum    1 weight  0.10000E+01 volume  0.81298E-03 ppm1      1.652 ppm2      2.459 CV     1
 ASSI {   57}
   (( segid "tbr1" and resid 11   and name HB2 ))
   (( segid "tbr1" and resid 11   and name HG2 ))
      3.300     1.300     1.300 peak    57 spectrum    1 weight  0.11000E+01 volume  0.17932E-02 ppm1      1.669 ppm2      2.350 CV     1
 ASSI {   62}
   (( segid "tbr1" and resid 11   and name HB2 ))
   (  segid "tbr1" and resid 25   and name HG1%)
      3.300     1.300     1.300 peak    62 spectrum    1 weight  0.11000E+01 volume  0.12663E-02 ppm1      1.652 ppm2      0.808 CV     1
 OR {   62}
   (( segid "tbr1" and resid 11   and name HB2 ))
   (  segid "tbr1" and resid 25   and name HG2%)
 ASSI {   65}
   (( segid "tbr1" and resid 15   and name HB1 ))
   (( segid "tbr1" and resid 15   and name HB2 ))
      2.200     0.600     0.600 peak    65 spectrum    1 weight  0.11000E+01 volume  0.42843E-02 ppm1      3.208 ppm2      3.310 CV     1
 ASSI {   66}
   (( segid "tbr1" and resid 15   and name HB1 ))
   (  segid "tbr1" and resid 16   and name HD1%)
      3.700     1.700     1.700 peak    66 spectrum    1 weight  0.11000E+01 volume  0.75588E-03 ppm1      3.213 ppm2      0.897 CV     1
 OR {   66}
   (( segid "tbr1" and resid 15   and name HB1 ))
   (  segid "tbr1" and resid 16   and name HD2%)
 ASSI {   67}
   (( segid "tbr1" and resid 15   and name HB1 ))
   (( segid "tbr1" and resid 15   and name HD2 ))
      3.200     1.300     1.300 peak    67 spectrum    1 weight  0.11000E+01 volume  0.14024E-02 ppm1      3.198 ppm2      7.159 CV     1
 ASSI {   68}
   (  segid "tbr1" and resid 16   and name HD1%)
   (( segid "tbr1" and resid 16   and name HG  ))
      2.700     0.900     0.900 peak    68 spectrum    1 weight  0.11000E+01 volume  0.33017E-02 ppm1      0.869 ppm2      1.242 CV     1
 ASSI {   69}
   (  segid "tbr1" and resid 16   and name HD1%)
   (( segid "tbr1" and resid 16   and name HB1 ))
      2.700     0.900     0.900 peak    69 spectrum    1 weight  0.11000E+01 volume  0.38960E-02 ppm1      0.869 ppm2      1.670 CV     1
 OR {   69}
   (  segid "tbr1" and resid 16   and name HD1%)
   (( segid "tbr1" and resid 16   and name HB2 ))
 ASSI {   70}
   (  segid "tbr1" and resid 16   and name HD1%)
   (( segid "tbr1" and resid 16   and name HA  ))
      2.600     0.800     0.800 peak    70 spectrum    1 weight  0.11000E+01 volume  0.66580E-02 ppm1      0.866 ppm2      4.526 CV     1
 ASSI {   72}
   (  segid "tbr1" and resid 16   and name HD1%)
   (( segid "tbr1" and resid 15   and name HD2 ))
      2.800     2.800     3.200 peak    72 spectrum    1 weight  0.11000E+01 volume  0.11089E-02 ppm1      0.870 ppm2      7.145 CV     1
 ASSI {   75}
   (  segid "tbr1" and resid 26   and name HG2%)
   (( segid "tbr1" and resid 10   and name HG  ))
      2.800     1.000     1.000 peak    75 spectrum    1 weight  0.10000E+01 volume  0.74624E-02 ppm1      0.877 ppm2      0.742 CV     1
 ASSI {   76}
   (  segid "tbr1" and resid 26   and name HG2%)
   (( segid "tbr1" and resid 10   and name HB1 ))
      2.300     0.600     0.600 peak    76 spectrum    1 weight  0.10000E+01 volume  0.66618E-02 ppm1      0.875 ppm2      1.253 CV     1
 ASSI {   77}
   (  segid "tbr1" and resid 26   and name HG2%)
   (( segid "tbr1" and resid 10   and name HB2 ))
      2.600     0.800     0.800 peak    77 spectrum    1 weight  0.11000E+01 volume  0.30699E-02 ppm1      0.877 ppm2      1.552 CV     1
 ASSI {   79}
   (  segid "tbr1" and resid 26   and name HG2%)
   (( segid "tbr1" and resid 27   and name HB2 ))
      3.900     1.900     1.900 peak    79 spectrum    1 weight  0.11000E+01 volume  0.99854E-03 ppm1      0.870 ppm2      3.021 CV     1
 ASSI {   84}
   (  segid "tbr1" and resid 32   and name HG2%)
   (  segid "tbr1" and resid 85   and name HD1%)
      2.900     1.000     1.000 peak    84 spectrum    1 weight  0.11000E+01 volume  0.25811E-02 ppm1      0.786 ppm2      0.514 CV     1
 ASSI {   85}
   (  segid "tbr1" and resid 32   and name HG2%)
   (  segid "tbr1" and resid 85   and name HG2%)
      3.000     3.000     3.000 peak    85 spectrum    1 weight  0.11000E+01 volume  0.27932E-02 ppm1      0.785 ppm2      0.674 CV     1
 ASSI {   86}
   (  segid "tbr1" and resid 32   and name HG2%)
   (  segid "tbr1" and resid 32   and name HG1%)
      2.500     0.800     0.800 peak    86 spectrum    1 weight  0.11000E+01 volume  0.50363E-02 ppm1      0.785 ppm2      0.948 CV     1
 ASSI {   87}
   (  segid "tbr1" and resid 32   and name HG2%)
   (( segid "tbr1" and resid 32   and name HB  ))
      2.600     0.900     0.900 peak    87 spectrum    1 weight  0.11000E+01 volume  0.32944E-02 ppm1      0.786 ppm2      2.297 CV     1
 ASSI {   88}
   (  segid "tbr1" and resid 32   and name HG2%)
   (( segid "tbr1" and resid 31   and name HB1 ))
      3.000     3.000     3.000 peak    88 spectrum    1 weight  0.11000E+01 volume  0.34930E-02 ppm1      0.785 ppm2      2.828 CV     1
 ASSI {   89}
   (  segid "tbr1" and resid 32   and name HG2%)
   (( segid "tbr1" and resid 30   and name HB2 ))
      3.600     3.600     2.400 peak    89 spectrum    1 weight  0.11000E+01 volume  0.12224E-02 ppm1      0.785 ppm2      2.997 CV     1
 ASSI {   90}
   (  segid "tbr1" and resid 32   and name HG2%)
   (( segid "tbr1" and resid 83   and name HA  ))
      3.100     1.200     1.200 peak    90 spectrum    1 weight  0.11000E+01 volume  0.14472E-02 ppm1      0.787 ppm2      4.513 CV     1
 ASSI {   91}
   (  segid "tbr1" and resid 32   and name HG2%)
   (( segid "tbr1" and resid 75   and name HA  ))
      3.900     1.900     1.900 peak    91 spectrum    1 weight  0.11000E+01 volume  0.79401E-03 ppm1      0.780 ppm2      4.853 CV     1
 ASSI {   93}
   (  segid "tbr1" and resid 32   and name HG2%)
   (  segid "tbr1" and resid 75   and name HD% )
      2.900     1.000     1.000 peak    93 spectrum    1 weight  0.11000E+01 volume  0.24896E-02 ppm1      0.785 ppm2      6.855 CV     1
 ASSI {   94}
   (  segid "tbr1" and resid 32   and name HG2%)
   (  segid "tbr1" and resid 75   and name HE% )
      3.500     1.600     1.600 peak    94 spectrum    1 weight  0.10000E+01 volume  0.12561E-02 ppm1      0.783 ppm2      6.736 CV     1
 ASSI {   95}
   (( segid "tbr1" and resid 36   and name HB1 ))
   (( segid "tbr1" and resid 36   and name HA  ))
      2.500     0.800     0.800 peak    95 spectrum    1 weight  0.11000E+01 volume  0.33525E-02 ppm1      2.063 ppm2      4.784 CV     1
 ASSI {   96}
   (( segid "tbr1" and resid 36   and name HB1 ))
   (( segid "tbr1" and resid 41   and name HA  ))
      3.400     1.500     1.500 peak    96 spectrum    1 weight  0.11000E+01 volume  0.12563E-02 ppm1      2.073 ppm2      4.662 CV     1
 ASSI {   97}
   (( segid "tbr1" and resid 36   and name HB1 ))
   (  segid "tbr1" and resid 41   and name HG1%)
      3.700     1.700     1.700 peak    97 spectrum    1 weight  0.11000E+01 volume  0.10254E-02 ppm1      2.056 ppm2      0.709 CV     1
 ASSI {   99}
   (( segid "tbr1" and resid 36   and name HB1 ))
   (  segid "tbr1" and resid 37   and name HG2%)
      4.100     2.100     1.900 peak    99 spectrum    1 weight  0.11000E+01 volume  0.75519E-03 ppm1      2.060 ppm2      1.154 CV     1
 ASSI {  100}
   (( segid "tbr1" and resid 36   and name HB1 ))
   (( segid "tbr1" and resid 36   and name HB2 ))
      1.900     0.500     0.500 peak   100 spectrum    1 weight  0.11000E+01 volume  0.93339E-02 ppm1      2.064 ppm2      1.938 CV     1
 ASSI {  101}
   (( segid "tbr1" and resid 36   and name HB1 ))
   (( segid "tbr1" and resid 36   and name HG2 ))
      2.300     0.600     0.600 peak   101 spectrum    1 weight  0.11000E+01 volume  0.85656E-02 ppm1      2.063 ppm2      2.153 CV     1
 OR {  101}
   (( segid "tbr1" and resid 36   and name HB1 ))
   (( segid "tbr1" and resid 36   and name HG1 ))
 ASSI {  103}
   (( segid "tbr1" and resid 36   and name HB2 ))
   (  segid "tbr1" and resid 41   and name HG1%)
      4.000     2.000     2.000 peak   103 spectrum    1 weight  0.11000E+01 volume  0.15049E-02 ppm1      1.939 ppm2      0.712 CV     1
 ASSI {  104}
   (( segid "tbr1" and resid 36   and name HB2 ))
   (  segid "tbr1" and resid 71   and name HG1%)
      2.900     1.100     1.100 peak   104 spectrum    1 weight  0.11000E+01 volume  0.25390E-02 ppm1      1.937 ppm2      0.916 CV     1
 OR {  104}
   (( segid "tbr1" and resid 36   and name HB2 ))
   (  segid "tbr1" and resid 71   and name HG2%)
 ASSI {  107}
   (( segid "tbr1" and resid 36   and name HB2 ))
   (( segid "tbr1" and resid 41   and name HA  ))
      4.200     2.300     1.800 peak   107 spectrum    1 weight  0.11000E+01 volume  0.99772E-03 ppm1      1.946 ppm2      4.657 CV     1
 ASSI {  110}
   (( segid "tbr1" and resid 40   and name HG2 ))
   (  segid "tbr1" and resid 42   and name HD1%)
      3.500     1.500     1.500 peak   110 spectrum    1 weight  0.11000E+01 volume  0.77206E-03 ppm1      1.286 ppm2      0.800 CV     1
 ASSI {  115}
   (( segid "tbr1" and resid 41   and name HB  ))
   (  segid "tbr1" and resid 41   and name HG1%)
      2.600     0.800     0.800 peak   115 spectrum    1 weight  0.11000E+01 volume  0.40998E-02 ppm1      1.876 ppm2      0.709 CV     1
 ASSI {  116}
   (( segid "tbr1" and resid 41   and name HB  ))
   (  segid "tbr1" and resid 41   and name HG2%)
      2.600     0.800     0.800 peak   116 spectrum    1 weight  0.11000E+01 volume  0.40810E-02 ppm1      1.876 ppm2      0.899 CV     1
 ASSI {  118}
   (( segid "tbr1" and resid 41   and name HB  ))
   (( segid "tbr1" and resid 42   and name HG11))
      3.300     3.300     2.700 peak   118 spectrum    1 weight  0.11000E+01 volume  0.13715E-02 ppm1      1.867 ppm2      1.421 CV     1
 ASSI {  120}
   (  segid "tbr1" and resid 41   and name HG1%)
   (( segid "tbr1" and resid 43   and name HD2 ))
      3.500     1.500     1.500 peak   120 spectrum    1 weight  0.10000E+01 volume  0.76515E-03 ppm1      0.710 ppm2      6.714 CV     1
 ASSI {  122}
   (( segid "tbr1" and resid 42   and name HG11))
   (( segid "tbr1" and resid 42   and name HA  ))
      2.700     0.900     0.900 peak   122 spectrum    1 weight  0.11000E+01 volume  0.20586E-02 ppm1      1.409 ppm2      4.326 CV     1
 ASSI {  123}
   (( segid "tbr1" and resid 42   and name HG11))
   (( segid "tbr1" and resid 41   and name HA  ))
      3.500     1.600     1.600 peak   123 spectrum    1 weight  0.11000E+01 volume  0.10053E-02 ppm1      1.406 ppm2      4.687 CV     1
 ASSI {  124}
   (  segid "tbr1" and resid 42   and name HG2%)
   (( segid "tbr1" and resid 35   and name HB  ))
      3.300     1.300     1.300 peak   124 spectrum    1 weight  0.11000E+01 volume  0.23463E-02 ppm1      0.809 ppm2      3.891 CV     1
 ASSI {  125}
   (  segid "tbr1" and resid 42   and name HG2%)
   (( segid "tbr1" and resid 42   and name HA  ))
      2.400     0.700     0.700 peak   125 spectrum    1 weight  0.11000E+01 volume  0.67944E-02 ppm1      0.809 ppm2      4.324 CV     1
 ASSI {  126}
   (  segid "tbr1" and resid 42   and name HG2%)
   (( segid "tbr1" and resid 34   and name HA  ))
      3.100     3.100     2.900 peak   126 spectrum    1 weight  0.11000E+01 volume  0.30210E-02 ppm1      0.808 ppm2      4.708 CV     1
 ASSI {  128}
   (  segid "tbr1" and resid 42   and name HG2%)
   (( segid "tbr1" and resid 42   and name HG12))
      2.200     0.600     0.600 peak   128 spectrum    1 weight  0.11000E+01 volume  0.85383E-02 ppm1      0.810 ppm2      1.046 CV     1
 ASSI {  129}
   (  segid "tbr1" and resid 42   and name HD1%)
   (( segid "tbr1" and resid 70   and name HA  ))
      2.500     2.500     3.500 peak   129 spectrum    1 weight  0.10000E+01 volume  0.22311E-02 ppm1      0.795 ppm2      4.708 CV     1
 ASSI {  130}
   (  segid "tbr1" and resid 42   and name HD1%)
   (( segid "tbr1" and resid 42   and name HA  ))
      3.400     1.400     1.400 peak   130 spectrum    1 weight  0.11000E+01 volume  0.19905E-02 ppm1      0.789 ppm2      4.330 CV     1
 ASSI {  131}
   (  segid "tbr1" and resid 42   and name HD1%)
   (( segid "tbr1" and resid 35   and name HB  ))
      3.000     1.100     1.100 peak   131 spectrum    1 weight  0.11000E+01 volume  0.20680E-02 ppm1      0.785 ppm2      3.883 CV     1
 ASSI {  134}
   (  segid "tbr1" and resid 42   and name HD1%)
   (( segid "tbr1" and resid 42   and name HG11))
      2.300     0.700     0.700 peak   134 spectrum    1 weight  0.11000E+01 volume  0.73590E-02 ppm1      0.792 ppm2      1.402 CV     1
 ASSI {  135}
   (  segid "tbr1" and resid 42   and name HD1%)
   (( segid "tbr1" and resid 40   and name HG2 ))
      2.900     1.000     1.000 peak   135 spectrum    1 weight  0.11000E+01 volume  0.20677E-02 ppm1      0.795 ppm2      1.280 CV     1
 OR {  135}
   (  segid "tbr1" and resid 42   and name HD1%)
   (( segid "tbr1" and resid 40   and name HG1 ))
 ASSI {  136}
   (  segid "tbr1" and resid 42   and name HD1%)
   (  segid "tbr1" and resid 37   and name HG2%)
      2.700     0.900     0.900 peak   136 spectrum    1 weight  0.11000E+01 volume  0.33480E-02 ppm1      0.793 ppm2      1.170 CV     1
 ASSI {  137}
   (  segid "tbr1" and resid 42   and name HD1%)
   (( segid "tbr1" and resid 42   and name HG12))
      2.300     0.600     0.600 peak   137 spectrum    1 weight  0.11000E+01 volume  0.80816E-02 ppm1      0.792 ppm2      1.046 CV     1
 ASSI {  138}
   (  segid "tbr1" and resid 42   and name HD1%)
   (( segid "tbr1" and resid 42   and name HB  ))
      2.600     0.800     0.800 peak   138 spectrum    1 weight  0.11000E+01 volume  0.37961E-02 ppm1      0.792 ppm2      1.684 CV     1
 ASSI {  140}
   (( segid "tbr1" and resid 43   and name HB1 ))
   (( segid "tbr1" and resid 43   and name HD2 ))
      3.300     1.400     1.400 peak   140 spectrum    1 weight  0.11000E+01 volume  0.10317E-02 ppm1      2.887 ppm2      6.706 CV     1
 OR {  140}
   (( segid "tbr1" and resid 43   and name HB2 ))
   (( segid "tbr1" and resid 43   and name HD2 ))
 ASSI {  142}
   (( segid "tbr1" and resid 43   and name HB1 ))
   (( segid "tbr1" and resid 34   and name HA  ))
      3.100     1.200     1.200 peak   142 spectrum    1 weight  0.11000E+01 volume  0.14069E-02 ppm1      2.888 ppm2      4.761 CV     1
 OR {  142}
   (( segid "tbr1" and resid 43   and name HB2 ))
   (( segid "tbr1" and resid 34   and name HA  ))
 ASSI {  143}
   (( segid "tbr1" and resid 43   and name HB2 ))
   (  segid "tbr1" and resid 32   and name HG1%)
      3.300     1.300     1.300 peak   143 spectrum    1 weight  0.10000E+01 volume  0.13924E-02 ppm1      2.895 ppm2      0.948 CV     1
 OR {  143}
   (( segid "tbr1" and resid 43   and name HB2 ))
   (  segid "tbr1" and resid 32   and name HG1%)
 OR {  143}
   (( segid "tbr1" and resid 43   and name HB2 ))
   (  segid "tbr1" and resid 32   and name HG1%)
 OR {  143}
   (( segid "tbr1" and resid 43   and name HB2 ))
   (  segid "tbr1" and resid 32   and name HG1%)
 OR {  143}
   (( segid "tbr1" and resid 43   and name HB1 ))
   (  segid "tbr1" and resid 32   and name HG1%)
 OR {  143}
   (( segid "tbr1" and resid 43   and name HB1 ))
   (  segid "tbr1" and resid 32   and name HG1%)
 OR {  143}
   (( segid "tbr1" and resid 43   and name HB1 ))
   (  segid "tbr1" and resid 32   and name HG1%)
 OR {  143}
   (( segid "tbr1" and resid 43   and name HB1 ))
   (  segid "tbr1" and resid 32   and name HG1%)
 ASSI {  144}
   (( segid "tbr1" and resid 43   and name HB1 ))
   (  segid "tbr1" and resid 34   and name HG1%)
      3.200     1.200     1.200 peak   144 spectrum    1 weight  0.11000E+01 volume  0.15497E-02 ppm1      2.899 ppm2      0.686 CV     1
 OR {  144}
   (( segid "tbr1" and resid 43   and name HB2 ))
   (  segid "tbr1" and resid 34   and name HG2%)
 OR {  144}
   (( segid "tbr1" and resid 43   and name HB1 ))
   (  segid "tbr1" and resid 34   and name HG2%)
 OR {  144}
   (( segid "tbr1" and resid 43   and name HB2 ))
   (  segid "tbr1" and resid 34   and name HG1%)
 ASSI {  146}
   (( segid "tbr1" and resid 48   and name HG12))
   (( segid "tbr1" and resid 48   and name HG11))
      2.100     0.500     0.500 peak   146 spectrum    1 weight  0.11000E+01 volume  0.42669E-02 ppm1      0.953 ppm2      1.188 CV     1
 ASSI {  152}
   (  segid "tbr1" and resid 48   and name HG2%)
   (  segid "tbr1" and resid 53   and name HD1%)
      2.400     0.700     0.700 peak   152 spectrum    1 weight  0.11000E+01 volume  0.49883E-02 ppm1      0.864 ppm2      0.606 CV     1
 ASSI {  153}
   (  segid "tbr1" and resid 48   and name HG2%)
   (( segid "tbr1" and resid 48   and name HG11))
      2.900     1.000     1.000 peak   153 spectrum    1 weight  0.11000E+01 volume  0.21445E-02 ppm1      0.865 ppm2      1.191 CV     1
 ASSI {  154}
   (  segid "tbr1" and resid 48   and name HG2%)
   (  segid "tbr1" and resid 49   and name HB% )
      3.600     1.700     1.700 peak   154 spectrum    1 weight  0.11000E+01 volume  0.14172E-02 ppm1      0.865 ppm2      1.503 CV     1
 ASSI {  156}
   (  segid "tbr1" and resid 48   and name HG2%)
   (( segid "tbr1" and resid 53   and name HG  ))
      2.900     1.000     1.000 peak   156 spectrum    1 weight  0.11000E+01 volume  0.24957E-02 ppm1      0.863 ppm2      1.872 CV     1
 ASSI {  157}
   (  segid "tbr1" and resid 48   and name HG2%)
   (( segid "tbr1" and resid 52   and name HB1 ))
      3.400     1.500     1.500 peak   157 spectrum    1 weight  0.11000E+01 volume  0.78779E-03 ppm1      0.863 ppm2      2.569 CV     1
 ASSI {  158}
   (  segid "tbr1" and resid 48   and name HG2%)
   (( segid "tbr1" and resid 52   and name HB2 ))
      2.900     1.100     1.100 peak   158 spectrum    1 weight  0.11000E+01 volume  0.16751E-02 ppm1      0.862 ppm2      2.792 CV     1
 ASSI {  160}
   (  segid "tbr1" and resid 48   and name HG2%)
   (( segid "tbr1" and resid 28   and name HA2 ))
      3.200     1.300     1.300 peak   160 spectrum    1 weight  0.11000E+01 volume  0.12944E-02 ppm1      0.866 ppm2      4.156 CV     1
 OR {  160}
   (  segid "tbr1" and resid 48   and name HG2%)
   (( segid "tbr1" and resid 28   and name HA1 ))
 ASSI {  161}
   (  segid "tbr1" and resid 48   and name HD1%)
   (( segid "tbr1" and resid 48   and name HG11))
      2.600     0.800     0.800 peak   161 spectrum    1 weight  0.11000E+01 volume  0.34176E-02 ppm1      0.420 ppm2      1.182 CV     1
 ASSI {  162}
   (  segid "tbr1" and resid 48   and name HD1%)
   (( segid "tbr1" and resid 48   and name HB  ))
      2.900     1.100     1.100 peak   162 spectrum    1 weight  0.11000E+01 volume  0.39534E-02 ppm1      0.425 ppm2      1.637 CV     1
 ASSI {  163}
   (  segid "tbr1" and resid 48   and name HD1%)
   (( segid "tbr1" and resid 50   and name HG2 ))
      3.700     3.700     2.300 peak   163 spectrum    1 weight  0.11000E+01 volume  0.14467E-02 ppm1      0.433 ppm2      2.135 CV     1
 OR {  163}
   (  segid "tbr1" and resid 48   and name HD1%)
   (( segid "tbr1" and resid 50   and name HG1 ))
 ASSI {  164}
   (  segid "tbr1" and resid 48   and name HD1%)
   (( segid "tbr1" and resid 46   and name HB1 ))
      2.800     2.800     3.200 peak   164 spectrum    1 weight  0.11000E+01 volume  0.10801E-02 ppm1      0.432 ppm2      2.350 CV     1
 ASSI {  165}
   (  segid "tbr1" and resid 48   and name HD1%)
   (( segid "tbr1" and resid 31   and name HB1 ))
      3.500     1.500     1.500 peak   165 spectrum    1 weight  0.11000E+01 volume  0.14689E-02 ppm1      0.430 ppm2      2.873 CV     1
 ASSI {  168}
   (  segid "tbr1" and resid 49   and name HB% )
   (( segid "tbr1" and resid 48   and name HG11))
      3.600     3.600     2.400 peak   168 spectrum    1 weight  0.11000E+01 volume  0.29917E-02 ppm1      1.492 ppm2      1.217 CV     1
 ASSI {  169}
   (  segid "tbr1" and resid 49   and name HB% )
   (( segid "tbr1" and resid 51   and name HB  ))
      3.700     1.800     1.800 peak   169 spectrum    1 weight  0.11000E+01 volume  0.21233E-02 ppm1      1.499 ppm2      1.807 CV     1
 ASSI {  171}
   (( segid "tbr1" and resid 50   and name HB1 ))
   (  segid "tbr1" and resid 53   and name HD2%)
      3.300     1.300     1.300 peak   171 spectrum    1 weight  0.11000E+01 volume  0.29810E-02 ppm1      1.800 ppm2      0.798 CV     1
 OR {  171}
   (( segid "tbr1" and resid 50   and name HB2 ))
   (  segid "tbr1" and resid 53   and name HD2%)
 ASSI {  172}
   (( segid "tbr1" and resid 50   and name HB2 ))
   (  segid "tbr1" and resid 49   and name HB% )
      3.700     1.700     1.700 peak   172 spectrum    1 weight  0.11000E+01 volume  0.15067E-02 ppm1      1.806 ppm2      1.492 CV     1
 OR {  172}
   (( segid "tbr1" and resid 50   and name HB1 ))
   (  segid "tbr1" and resid 49   and name HB% )
 ASSI {  173}
   (( segid "tbr1" and resid 50   and name HB1 ))
   (( segid "tbr1" and resid 50   and name HB2 ))
      1.600     0.300     0.600 peak   173 spectrum    1 weight  0.11000E+01 volume  0.24227E-01 ppm1      1.802 ppm2      1.799 CV     1
 OR {  173}
   (( segid "tbr1" and resid 50   and name HB2 ))
   (( segid "tbr1" and resid 50   and name HB1 ))
 ASSI {  174}
   (( segid "tbr1" and resid 50   and name HB2 ))
   (( segid "tbr1" and resid 50   and name HG1 ))
      2.400     0.700     0.700 peak   174 spectrum    1 weight  0.11000E+01 volume  0.56797E-02 ppm1      1.799 ppm2      2.143 CV     1
 OR {  174}
   (( segid "tbr1" and resid 50   and name HB1 ))
   (( segid "tbr1" and resid 50   and name HG2 ))
 OR {  174}
   (( segid "tbr1" and resid 50   and name HB2 ))
   (( segid "tbr1" and resid 50   and name HG2 ))
 OR {  174}
   (( segid "tbr1" and resid 50   and name HB1 ))
   (( segid "tbr1" and resid 50   and name HG1 ))
 ASSI {  177}
   (  segid "tbr1" and resid 51   and name HG2%)
   (( segid "tbr1" and resid 51   and name HG12))
      2.100     0.600     0.600 peak   177 spectrum    1 weight  0.11000E+01 volume  0.93789E-02 ppm1      0.826 ppm2      1.199 CV     1
 ASSI {  178}
   (  segid "tbr1" and resid 51   and name HG2%)
   (( segid "tbr1" and resid 51   and name HG11))
      2.700     0.900     0.900 peak   178 spectrum    1 weight  0.11000E+01 volume  0.76978E-02 ppm1      0.827 ppm2      1.393 CV     1
 ASSI {  179}
   (  segid "tbr1" and resid 51   and name HG2%)
   (  segid "tbr1" and resid 49   and name HB% )
      2.600     0.800     0.800 peak   179 spectrum    1 weight  0.11000E+01 volume  0.11693E-01 ppm1      0.826 ppm2      1.498 CV     1
 ASSI {  181}
   (  segid "tbr1" and resid 51   and name HG2%)
   (( segid "tbr1" and resid 51   and name HA  ))
      2.500     0.800     0.800 peak   181 spectrum    1 weight  0.11000E+01 volume  0.64816E-02 ppm1      0.826 ppm2      3.983 CV     1
 ASSI {  183}
   (  segid "tbr1" and resid 51   and name HD1%)
   (( segid "tbr1" and resid 51   and name HG12))
      2.300     0.700     0.700 peak   183 spectrum    1 weight  0.11000E+01 volume  0.73362E-02 ppm1      0.862 ppm2      1.192 CV     1
 ASSI {  184}
   (  segid "tbr1" and resid 51   and name HD1%)
   (( segid "tbr1" and resid 51   and name HG11))
      2.400     0.700     0.700 peak   184 spectrum    1 weight  0.11000E+01 volume  0.56940E-02 ppm1      0.862 ppm2      1.393 CV     1
 ASSI {  185}
   (  segid "tbr1" and resid 51   and name HD1%)
   (( segid "tbr1" and resid 51   and name HB  ))
      2.400     0.700     0.700 peak   185 spectrum    1 weight  0.11000E+01 volume  0.66136E-02 ppm1      0.860 ppm2      1.803 CV     1
 ASSI {  186}
   (  segid "tbr1" and resid 51   and name HD1%)
   (( segid "tbr1" and resid 51   and name HA  ))
      3.600     1.600     1.600 peak   186 spectrum    1 weight  0.11000E+01 volume  0.25070E-02 ppm1      0.861 ppm2      3.981 CV     1
 ASSI {  188}
   (  segid "tbr1" and resid 51   and name HD1%)
   (  segid "tbr1" and resid 49   and name HB% )
      3.400     1.400     1.400 peak   188 spectrum    1 weight  0.10000E+01 volume  0.20768E-02 ppm1      0.862 ppm2      1.505 CV     1
 ASSI {  189}
   (  segid "tbr1" and resid 51   and name HD1%)
   (( segid "tbr1" and resid 54   and name HG11))
      2.900     2.900     3.100 peak   189 spectrum    1 weight  0.11000E+01 volume  0.40650E-02 ppm1      0.862 ppm2      0.971 CV     1
 ASSI {  190}
   (  segid "tbr1" and resid 53   and name HD2%)
   (( segid "tbr1" and resid 53   and name HA  ))
      3.100     1.200     1.200 peak   190 spectrum    1 weight  0.11000E+01 volume  0.25890E-02 ppm1      0.794 ppm2      4.158 CV     1
 ASSI {  191}
   (  segid "tbr1" and resid 53   and name HD2%)
   (( segid "tbr1" and resid 50   and name HA  ))
      2.800     1.000     1.000 peak   191 spectrum    1 weight  0.11000E+01 volume  0.24396E-02 ppm1      0.799 ppm2      3.673 CV     1
 ASSI {  193}
   (  segid "tbr1" and resid 53   and name HD2%)
   (( segid "tbr1" and resid 29   and name HG  ))
      3.000     1.100     1.100 peak   193 spectrum    1 weight  0.10000E+01 volume  0.18732E-02 ppm1      0.800 ppm2      1.513 CV     1
 ASSI {  194}
   (  segid "tbr1" and resid 53   and name HD2%)
   (( segid "tbr1" and resid 53   and name HB1 ))
      3.000     1.100     1.100 peak   194 spectrum    1 weight  0.11000E+01 volume  0.12959E-02 ppm1      0.795 ppm2      0.998 CV     1
 ASSI {  196}
   (  segid "tbr1" and resid 53   and name HD2%)
   (( segid "tbr1" and resid 53   and name HG  ))
      2.600     0.800     0.800 peak   196 spectrum    1 weight  0.11000E+01 volume  0.31194E-02 ppm1      0.797 ppm2      1.868 CV     1
 ASSI {  197}
   (  segid "tbr1" and resid 53   and name HD2%)
   (( segid "tbr1" and resid 29   and name HB1 ))
      3.400     1.400     1.400 peak   197 spectrum    1 weight  0.10000E+01 volume  0.12487E-02 ppm1      0.794 ppm2      1.644 CV     1
 ASSI {  198}
   (  segid "tbr1" and resid 53   and name HD2%)
   (( segid "tbr1" and resid 56   and name HD1 ))
      3.400     1.500     1.500 peak   198 spectrum    1 weight  0.11000E+01 volume  0.12139E-02 ppm1      0.796 ppm2      3.273 CV     1
 OR {  198}
   (  segid "tbr1" and resid 53   and name HD2%)
   (( segid "tbr1" and resid 56   and name HD2 ))
 ASSI {  199}
   (  segid "tbr1" and resid 53   and name HD2%)
   (  segid "tbr1" and resid 53   and name HD1%)
      2.500     0.800     0.800 peak   199 spectrum    1 weight  0.11000E+01 volume  0.44898E-02 ppm1      0.797 ppm2      0.602 CV     1
 ASSI {  202}
   (  segid "tbr1" and resid 54   and name HG2%)
   (  segid "tbr1" and resid 60   and name HD% )
      3.300     1.300     1.300 peak   202 spectrum    1 weight  0.10000E+01 volume  0.13147E-02 ppm1      0.864 ppm2      7.366 CV     1
 ASSI {  205}
   (  segid "tbr1" and resid 54   and name HG2%)
   (( segid "tbr1" and resid 54   and name HA  ))
      2.400     0.700     0.700 peak   205 spectrum    1 weight  0.11000E+01 volume  0.55354E-02 ppm1      0.860 ppm2      4.362 CV     1
 ASSI {  206}
   (  segid "tbr1" and resid 54   and name HG2%)
   (( segid "tbr1" and resid 55   and name HD2 ))
      3.500     1.600     1.600 peak   206 spectrum    1 weight  0.11000E+01 volume  0.15222E-02 ppm1      0.861 ppm2      3.079 CV     1
 ASSI {  207}
   (  segid "tbr1" and resid 54   and name HG2%)
   (( segid "tbr1" and resid 55   and name HB2 ))
      4.400     2.400     1.600 peak   207 spectrum    1 weight  0.11000E+01 volume  0.80118E-03 ppm1      0.869 ppm2      2.394 CV     1
 ASSI {  208}
   (  segid "tbr1" and resid 54   and name HG2%)
   (( segid "tbr1" and resid 54   and name HB  ))
      2.200     0.600     0.600 peak   208 spectrum    1 weight  0.11000E+01 volume  0.97285E-02 ppm1      0.860 ppm2      1.689 CV     1
 ASSI {  209}
   (  segid "tbr1" and resid 54   and name HG2%)
   (( segid "tbr1" and resid 54   and name HG12))
      2.900     1.100     1.100 peak   209 spectrum    1 weight  0.11000E+01 volume  0.22338E-02 ppm1      0.861 ppm2      1.316 CV     1
 ASSI {  210}
   (  segid "tbr1" and resid 54   and name HG2%)
   (( segid "tbr1" and resid 55   and name HG2 ))
      3.500     3.500     2.500 peak   210 spectrum    1 weight  0.11000E+01 volume  0.23100E-02 ppm1      0.864 ppm2      1.822 CV     1
 ASSI {  212}
   (  segid "tbr1" and resid 54   and name HD1%)
   (( segid "tbr1" and resid 55   and name HA  ))
      2.600     2.600     3.400 peak   212 spectrum    1 weight  0.11000E+01 volume  0.17064E-02 ppm1      0.890 ppm2      4.820 CV     1
 ASSI {  214}
   (  segid "tbr1" and resid 54   and name HD1%)
   (( segid "tbr1" and resid 54   and name HA  ))
      3.500     1.500     1.500 peak   214 spectrum    1 weight  0.11000E+01 volume  0.15982E-02 ppm1      0.885 ppm2      4.374 CV     1
 ASSI {  216}
   (  segid "tbr1" and resid 54   and name HD1%)
   (( segid "tbr1" and resid 54   and name HB  ))
      2.900     1.000     1.000 peak   216 spectrum    1 weight  0.11000E+01 volume  0.31540E-02 ppm1      0.886 ppm2      1.690 CV     1
 ASSI {  217}
   (  segid "tbr1" and resid 54   and name HD1%)
   (( segid "tbr1" and resid 54   and name HG12))
      2.400     0.700     0.700 peak   217 spectrum    1 weight  0.11000E+01 volume  0.55178E-02 ppm1      0.887 ppm2      1.315 CV     1
 ASSI {  219}
   (( segid "tbr1" and resid 55   and name HG1 ))
   (( segid "tbr1" and resid 55   and name HA  ))
      3.900     1.900     1.900 peak   219 spectrum    1 weight  0.10000E+01 volume  0.63465E-03 ppm1      1.655 ppm2      4.802 CV     1
 ASSI {  220}
   (( segid "tbr1" and resid 55   and name HG1 ))
   (( segid "tbr1" and resid 55   and name HD1 ))
      2.600     0.900     0.900 peak   220 spectrum    1 weight  0.10000E+01 volume  0.21371E-02 ppm1      1.643 ppm2      3.770 CV     1
 ASSI {  222}
   (( segid "tbr1" and resid 55   and name HG1 ))
   (( segid "tbr1" and resid 55   and name HB2 ))
      3.200     1.300     1.300 peak   222 spectrum    1 weight  0.10000E+01 volume  0.17717E-02 ppm1      1.645 ppm2      2.408 CV     1
 ASSI {  223}
   (( segid "tbr1" and resid 55   and name HG1 ))
   (( segid "tbr1" and resid 55   and name HB1 ))
      2.600     0.900     0.900 peak   223 spectrum    1 weight  0.10000E+01 volume  0.21448E-02 ppm1      1.644 ppm2      2.081 CV     1
 ASSI {  224}
   (( segid "tbr1" and resid 56   and name HG2 ))
   (( segid "tbr1" and resid 56   and name HA  ))
      2.900     1.000     1.000 peak   224 spectrum    1 weight  0.11000E+01 volume  0.19020E-02 ppm1      1.767 ppm2      3.810 CV     1
 ASSI {  225}
   (( segid "tbr1" and resid 56   and name HG2 ))
   (( segid "tbr1" and resid 56   and name HD2 ))
      2.700     0.900     0.900 peak   225 spectrum    1 weight  0.11000E+01 volume  0.32019E-02 ppm1      1.769 ppm2      3.274 CV     1
 OR {  225}
   (( segid "tbr1" and resid 56   and name HG2 ))
   (( segid "tbr1" and resid 56   and name HD1 ))
 ASSI {  226}
   (( segid "tbr1" and resid 56   and name HG2 ))
   (( segid "tbr1" and resid 56   and name HG1 ))
      2.100     0.500     0.500 peak   226 spectrum    1 weight  0.11000E+01 volume  0.52392E-02 ppm1      1.770 ppm2      1.589 CV     1
 ASSI {  227}
   (( segid "tbr1" and resid 56   and name HG2 ))
   (( segid "tbr1" and resid 56   and name HB2 ))
      2.900     1.000     1.000 peak   227 spectrum    1 weight  0.11000E+01 volume  0.29032E-02 ppm1      1.764 ppm2      1.860 CV     1
 ASSI {  228}
   (( segid "tbr1" and resid 56   and name HG2 ))
   (( segid "tbr1" and resid 56   and name HB1 ))
      2.200     0.600     0.600 peak   228 spectrum    1 weight  0.11000E+01 volume  0.77688E-02 ppm1      1.768 ppm2      1.775 CV     1
 ASSI {  229}
   (( segid "tbr1" and resid 59   and name HB1 ))
   (  segid "tbr1" and resid 53   and name HD1%)
      3.400     1.500     1.500 peak   229 spectrum    1 weight  0.11000E+01 volume  0.18530E-02 ppm1      1.618 ppm2      0.610 CV     1
 ASSI {  231}
   (( segid "tbr1" and resid 59   and name HB1 ))
   (  segid "tbr1" and resid 61   and name HG2%)
      3.300     1.400     1.400 peak   231 spectrum    1 weight  0.11000E+01 volume  0.15089E-02 ppm1      1.621 ppm2      0.945 CV     1
 ASSI {  232}
   (( segid "tbr1" and resid 59   and name HB1 ))
   (( segid "tbr1" and resid 59   and name HG1 ))
      2.600     0.800     0.800 peak   232 spectrum    1 weight  0.11000E+01 volume  0.14882E-02 ppm1      1.624 ppm2      1.787 CV     1
 ASSI {  233}
   (( segid "tbr1" and resid 59   and name HB1 ))
   (( segid "tbr1" and resid 59   and name HB2 ))
      2.000     0.500     0.500 peak   233 spectrum    1 weight  0.11000E+01 volume  0.38088E-02 ppm1      1.618 ppm2      1.963 CV     1
 ASSI {  234}
   (( segid "tbr1" and resid 59   and name HB1 ))
   (( segid "tbr1" and resid 59   and name HD2 ))
      3.700     1.700     1.700 peak   234 spectrum    1 weight  0.11000E+01 volume  0.12954E-02 ppm1      1.618 ppm2      3.290 CV     1
 ASSI {  235}
   (( segid "tbr1" and resid 59   and name HB1 ))
   (( segid "tbr1" and resid 59   and name HD1 ))
      3.100     1.200     1.200 peak   235 spectrum    1 weight  0.11000E+01 volume  0.10201E-02 ppm1      1.607 ppm2      3.441 CV     1
 ASSI {  238}
   (( segid "tbr1" and resid 59   and name HB2 ))
   (  segid "tbr1" and resid 53   and name HD1%)
      3.800     1.800     1.800 peak   238 spectrum    1 weight  0.11000E+01 volume  0.21503E-02 ppm1      1.972 ppm2      0.607 CV     1
 ASSI {  239}
   (( segid "tbr1" and resid 59   and name HB2 ))
   (  segid "tbr1" and resid 54   and name HG2%)
      3.800     1.800     1.800 peak   239 spectrum    1 weight  0.11000E+01 volume  0.20127E-02 ppm1      1.972 ppm2      0.851 CV     1
 ASSI {  242}
   (( segid "tbr1" and resid 59   and name HB2 ))
   (( segid "tbr1" and resid 59   and name HG1 ))
      3.100     1.200     1.200 peak   242 spectrum    1 weight  0.11000E+01 volume  0.15689E-02 ppm1      1.974 ppm2      1.819 CV     1
 ASSI {  244}
   (( segid "tbr1" and resid 59   and name HB2 ))
   (( segid "tbr1" and resid 59   and name HD1 ))
      4.000     2.000     2.000 peak   244 spectrum    1 weight  0.11000E+01 volume  0.80752E-03 ppm1      1.964 ppm2      3.436 CV     1
 ASSI {  246}
   (( segid "tbr1" and resid 59   and name HB2 ))
   (( segid "tbr1" and resid 62   and name HB2 ))
      3.200     3.200     2.800 peak   246 spectrum    1 weight  0.11000E+01 volume  0.81951E-03 ppm1      1.959 ppm2      2.782 CV     1
 ASSI {  247}
   (( segid "tbr1" and resid 59   and name HB2 ))
   (( segid "tbr1" and resid 53   and name HB2 ))
      5.100     3.300     0.900 peak   247 spectrum    1 weight  0.11000E+01 volume  0.75258E-03 ppm1      1.976 ppm2      2.202 CV     1
 ASSI {  251}
   (( segid "tbr1" and resid 59   and name HG1 ))
   (  segid "tbr1" and resid 53   and name HD1%)
      2.900     1.100     1.100 peak   251 spectrum    1 weight  0.11000E+01 volume  0.20911E-02 ppm1      1.813 ppm2      0.603 CV     1
 ASSI {  256}
   (( segid "tbr1" and resid 59   and name HG1 ))
   (( segid "tbr1" and resid 59   and name HG2 ))
      1.900     0.500     0.500 peak   256 spectrum    1 weight  0.11000E+01 volume  0.55392E-02 ppm1      1.811 ppm2      1.923 CV     1
 ASSI {  257}
   (( segid "tbr1" and resid 59   and name HG1 ))
   (( segid "tbr1" and resid 53   and name HB2 ))
      3.700     1.700     1.700 peak   257 spectrum    1 weight  0.10000E+01 volume  0.15418E-02 ppm1      1.811 ppm2      2.175 CV     1
 ASSI {  258}
   (( segid "tbr1" and resid 56   and name HG2 ))
   (( segid "tbr1" and resid 56   and name HD1 ))
      3.100     3.100     2.900 peak   258 spectrum    1 weight  0.11000E+01 volume  0.13717E-02 ppm1      1.808 ppm2      3.287 CV     1
 ASSI {  259}
   (( segid "tbr1" and resid 59   and name HG1 ))
   (( segid "tbr1" and resid 59   and name HD1 ))
      2.500     0.800     0.800 peak   259 spectrum    1 weight  0.11000E+01 volume  0.20701E-02 ppm1      1.810 ppm2      3.432 CV     1
 ASSI {  260}
   (( segid "tbr1" and resid 59   and name HG1 ))
   (( segid "tbr1" and resid 50   and name HA  ))
      3.000     3.000     3.000 peak   260 spectrum    1 weight  0.10000E+01 volume  0.82782E-03 ppm1      1.802 ppm2      3.663 CV     1
 ASSI {  261}
   (( segid "tbr1" and resid 59   and name HG1 ))
   (( segid "tbr1" and resid 53   and name HA  ))
      3.200     1.300     1.300 peak   261 spectrum    1 weight  0.10000E+01 volume  0.79020E-03 ppm1      1.818 ppm2      4.196 CV     1
 ASSI {  265}
   (( segid "tbr1" and resid 59   and name HG2 ))
   (  segid "tbr1" and resid 53   and name HD1%)
      3.900     1.900     1.900 peak   265 spectrum    1 weight  0.11000E+01 volume  0.17584E-02 ppm1      1.907 ppm2      0.608 CV     1
 ASSI {  266}
   (( segid "tbr1" and resid 59   and name HG2 ))
   (  segid "tbr1" and resid 29   and name HD1%)
      3.200     1.300     1.300 peak   266 spectrum    1 weight  0.10000E+01 volume  0.11164E-02 ppm1      1.914 ppm2      0.823 CV     1
 OR {  266}
   (( segid "tbr1" and resid 59   and name HG2 ))
   (  segid "tbr1" and resid 29   and name HD1%)
 ASSI {  267}
   (( segid "tbr1" and resid 59   and name HG2 ))
   (( segid "tbr1" and resid 53   and name HB1 ))
      4.300     2.300     1.700 peak   267 spectrum    1 weight  0.10000E+01 volume  0.97190E-03 ppm1      1.908 ppm2      0.996 CV     1
 ASSI {  268}
   (( segid "tbr1" and resid 59   and name HG2 ))
   (( segid "tbr1" and resid 59   and name HB1 ))
      3.100     1.200     1.200 peak   268 spectrum    1 weight  0.11000E+01 volume  0.20255E-02 ppm1      1.915 ppm2      1.615 CV     1
 ASSI {  271}
   (( segid "tbr1" and resid 59   and name HG2 ))
   (( segid "tbr1" and resid 53   and name HB2 ))
      4.800     2.800     1.200 peak   271 spectrum    1 weight  0.11000E+01 volume  0.11943E-02 ppm1      1.914 ppm2      2.219 CV     1
 ASSI {  272}
   (( segid "tbr1" and resid 59   and name HG2 ))
   (( segid "tbr1" and resid 59   and name HD2 ))
      2.500     0.800     0.800 peak   272 spectrum    1 weight  0.11000E+01 volume  0.23733E-02 ppm1      1.914 ppm2      3.295 CV     1
 ASSI {  273}
   (( segid "tbr1" and resid 59   and name HG2 ))
   (( segid "tbr1" and resid 59   and name HD1 ))
      3.400     1.400     1.400 peak   273 spectrum    1 weight  0.11000E+01 volume  0.15353E-02 ppm1      1.908 ppm2      3.424 CV     1
 ASSI {  274}
   (( segid "tbr1" and resid 59   and name HG2 ))
   (( segid "tbr1" and resid 53   and name HA  ))
      4.500     2.500     1.500 peak   274 spectrum    1 weight  0.10000E+01 volume  0.90433E-03 ppm1      1.911 ppm2      4.169 CV     1
 ASSI {  275}
   (( segid "tbr1" and resid 59   and name HG2 ))
   (( segid "tbr1" and resid 60   and name HA  ))
      3.400     3.400     2.600 peak   275 spectrum    1 weight  0.11000E+01 volume  0.11342E-02 ppm1      1.925 ppm2      4.352 CV     1
 ASSI {  276}
   (( segid "tbr1" and resid 61   and name HB  ))
   (  segid "tbr1" and resid 48   and name HD1%)
      3.300     1.400     1.400 peak   276 spectrum    1 weight  0.10000E+01 volume  0.98274E-03 ppm1      2.126 ppm2      0.430 CV     1
 ASSI {  278}
   (( segid "tbr1" and resid 61   and name HB  ))
   (  segid "tbr1" and resid 61   and name HG1%)
      2.300     0.700     0.700 peak   278 spectrum    1 weight  0.11000E+01 volume  0.70951E-02 ppm1      2.124 ppm2      0.855 CV     1
 ASSI {  279}
   (( segid "tbr1" and resid 61   and name HB  ))
   (  segid "tbr1" and resid 61   and name HG2%)
      2.500     0.800     0.800 peak   279 spectrum    1 weight  0.11000E+01 volume  0.45527E-02 ppm1      2.123 ppm2      0.943 CV     1
 ASSI {  281}
   (( segid "tbr1" and resid 61   and name HB  ))
   (( segid "tbr1" and resid 64   and name HG1 ))
      3.500     3.500     2.500 peak   281 spectrum    1 weight  0.11000E+01 volume  0.96225E-03 ppm1      2.122 ppm2      1.994 CV     1
 ASSI {  282}
   (( segid "tbr1" and resid 61   and name HB  ))
   (( segid "tbr1" and resid 59   and name HG2 ))
      3.900     3.900     2.100 peak   282 spectrum    1 weight  0.11000E+01 volume  0.74472E-03 ppm1      2.128 ppm2      1.886 CV     1
 ASSI {  288}
   (  segid "tbr1" and resid 63   and name HB% )
   (( segid "tbr1" and resid 91   and name HB  ))
      2.700     2.700     3.300 peak   288 spectrum    1 weight  0.10000E+01 volume  0.13482E-02 ppm1      1.333 ppm2      2.040 CV     1
 ASSI {  289}
   (  segid "tbr1" and resid 63   and name HB% )
   (( segid "tbr1" and resid 62   and name HB1 ))
      3.000     1.100     1.100 peak   289 spectrum    1 weight  0.11000E+01 volume  0.18657E-02 ppm1      1.331 ppm2      3.231 CV     1
 ASSI {  290}
   (  segid "tbr1" and resid 63   and name HB% )
   (( segid "tbr1" and resid 58   and name HD1 ))
      3.000     3.000     3.000 peak   290 spectrum    1 weight  0.10000E+01 volume  0.86145E-03 ppm1      1.330 ppm2      3.108 CV     1
 OR {  290}
   (  segid "tbr1" and resid 63   and name HB% )
   (( segid "tbr1" and resid 58   and name HD2 ))
 ASSI {  291}
   (  segid "tbr1" and resid 63   and name HB% )
   (( segid "tbr1" and resid 62   and name HB2 ))
      4.000     2.000     2.000 peak   291 spectrum    1 weight  0.11000E+01 volume  0.94639E-03 ppm1      1.323 ppm2      2.767 CV     1
 ASSI {  292}
   (  segid "tbr1" and resid 63   and name HB% )
   (( segid "tbr1" and resid 60   and name HB1 ))
      3.000     1.100     1.100 peak   292 spectrum    1 weight  0.11000E+01 volume  0.83271E-03 ppm1      1.326 ppm2      3.376 CV     1
 ASSI {  293}
   (  segid "tbr1" and resid 63   and name HB% )
   (( segid "tbr1" and resid 64   and name HD1 ))
      3.000     1.200     1.200 peak   293 spectrum    1 weight  0.11000E+01 volume  0.54593E-02 ppm1      1.333 ppm2      3.629 CV     1
 ASSI {  295}
   (  segid "tbr1" and resid 63   and name HB% )
   (( segid "tbr1" and resid 66   and name HB2 ))
      3.500     3.500     2.500 peak   295 spectrum    1 weight  0.10000E+01 volume  0.10571E-02 ppm1      1.330 ppm2      3.883 CV     1
 ASSI {  296}
   (  segid "tbr1" and resid 63   and name HB% )
   (( segid "tbr1" and resid 60   and name HA  ))
      2.600     0.800     0.800 peak   296 spectrum    1 weight  0.11000E+01 volume  0.42812E-02 ppm1      1.332 ppm2      4.374 CV     1
 ASSI {  297}
   (  segid "tbr1" and resid 63   and name HB% )
   (( segid "tbr1" and resid 63   and name HA  ))
      2.100     0.600     0.600 peak   297 spectrum    1 weight  0.11000E+01 volume  0.14498E-01 ppm1      1.331 ppm2      4.599 CV     1
 ASSI {  298}
   (  segid "tbr1" and resid 63   and name HB% )
   (( segid "tbr1" and resid 64   and name HA  ))
      3.200     1.300     1.300 peak   298 spectrum    1 weight  0.11000E+01 volume  0.17292E-02 ppm1      1.335 ppm2      4.487 CV     1
 ASSI {  299}
   (( segid "tbr1" and resid 71   and name HB  ))
   (  segid "tbr1" and resid 91   and name HG2%)
      3.800     3.800     2.200 peak   299 spectrum    1 weight  0.10000E+01 volume  0.70462E-03 ppm1      2.168 ppm2      0.832 CV     1
 ASSI {  300}
   (( segid "tbr1" and resid 71   and name HB  ))
   (  segid "tbr1" and resid 71   and name HG2%)
      2.000     0.500     0.500 peak   300 spectrum    1 weight  0.11000E+01 volume  0.16251E-01 ppm1      2.161 ppm2      0.941 CV     1
 OR {  300}
   (( segid "tbr1" and resid 71   and name HB  ))
   (  segid "tbr1" and resid 71   and name HG1%)
 ASSI {  302}
   (( segid "tbr1" and resid 71   and name HB  ))
   (( segid "tbr1" and resid 36   and name HB2 ))
      2.800     1.000     1.000 peak   302 spectrum    1 weight  0.11000E+01 volume  0.16710E-02 ppm1      2.156 ppm2      1.934 CV     1
 ASSI {  303}
   (( segid "tbr1" and resid 71   and name HB  ))
   (( segid "tbr1" and resid 36   and name HB1 ))
      3.400     1.500     1.500 peak   303 spectrum    1 weight  0.11000E+01 volume  0.22145E-02 ppm1      2.155 ppm2      2.049 CV     1
 ASSI {  306}
   (  segid "tbr1" and resid 72   and name HG2%)
   (( segid "tbr1" and resid 72   and name HA  ))
      2.600     0.800     0.800 peak   306 spectrum    1 weight  0.11000E+01 volume  0.41507E-02 ppm1      1.122 ppm2      5.144 CV     1
 ASSI {  307}
   (  segid "tbr1" and resid 72   and name HG2%)
   (( segid "tbr1" and resid 35   and name HA  ))
      3.500     1.600     1.600 peak   307 spectrum    1 weight  0.11000E+01 volume  0.14529E-02 ppm1      1.115 ppm2      5.038 CV     1
 ASSI {  308}
   (  segid "tbr1" and resid 35   and name HG2%)
   (( segid "tbr1" and resid 70   and name HB1 ))
      3.000     3.000     3.000 peak   308 spectrum    1 weight  0.11000E+01 volume  0.19027E-02 ppm1      1.099 ppm2      3.749 CV     1
 OR {  308}
   (  segid "tbr1" and resid 35   and name HG2%)
   (( segid "tbr1" and resid 70   and name HB2 ))
 ASSI {  309}
   (  segid "tbr1" and resid 35   and name HG2%)
   (( segid "tbr1" and resid 42   and name HB  ))
      3.600     1.600     1.600 peak   309 spectrum    1 weight  0.11000E+01 volume  0.16860E-02 ppm1      1.100 ppm2      1.679 CV     1
 ASSI {  311}
   (  segid "tbr1" and resid 41   and name HG1%)
   (( segid "tbr1" and resid 36   and name HG2 ))
      2.800     1.000     1.000 peak   311 spectrum    1 weight  0.11000E+01 volume  0.20775E-02 ppm1      0.710 ppm2      2.105 CV     1
 ASSI {  312}
   (  segid "tbr1" and resid 41   and name HG1%)
   (  segid "tbr1" and resid 37   and name HG2%)
      3.400     3.400     2.600 peak   312 spectrum    1 weight  0.10000E+01 volume  0.20492E-02 ppm1      0.727 ppm2      1.152 CV     1
 ASSI {  313}
   (( segid "tbr1" and resid 42   and name HG11))
   (( segid "tbr1" and resid 42   and name HB  ))
      2.800     1.000     1.000 peak   313 spectrum    1 weight  0.11000E+01 volume  0.26839E-02 ppm1      1.407 ppm2      1.683 CV     1
 ASSI {  314}
   (( segid "tbr1" and resid 42   and name HG11))
   (( segid "tbr1" and resid 40   and name HB2 ))
      2.800     2.800     3.200 peak   314 spectrum    1 weight  0.10000E+01 volume  0.17649E-02 ppm1      1.401 ppm2      1.794 CV     1
assign (resid  12 and name sg) (resid  30 and name sg)  2.02 0.1 0.1
assign (resid  14 and name sg) (resid  17 and name sg)  2.02 0.1 0.1
assign (resid  24 and name sg) (resid  47 and name sg)  2.02 0.1 0.1
assign (resid  62 and name sg) (resid  76 and name sg)  2.02 0.1 0.1
assign (resid  77 and name sg) (resid  82 and name sg)  2.02 0.1 0.1
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   5           HN       GLY   5  19.238  -0.793  -7.042
    2    HA2  GLY   5           HA2      GLY   5  18.478   1.887  -7.495
    3    HA3  GLY   5           HA1      GLY   5  18.506   1.037  -9.033
    4    H    SER   6           HN       SER   6  16.701   1.752  -6.281
    5    HA   SER   6           HA       SER   6  14.576   1.263  -5.661
    6    HB2  SER   6           HB2      SER   6  14.219   1.568  -8.159
    7    HB3  SER   6           HB1      SER   6  14.298  -0.187  -8.303
    8    HG   SER   6           HG       SER   6  12.410   1.354  -6.849
    9    H    ALA   7           HN       ALA   7  13.029  -1.074  -6.264
   10    HA   ALA   7           HA       ALA   7  12.692  -3.256  -5.763
   11    HB1  ALA   7           HB1      ALA   7  15.689  -3.521  -5.630
   12    HB2  ALA   7           HB2      ALA   7  14.704  -3.730  -7.079
   13    HB3  ALA   7           HB3      ALA   7  14.520  -4.839  -5.719
   14    H    THR   8           HN       THR   8  15.517  -2.296  -3.788
   15    HA   THR   8           HA       THR   8  14.118  -3.366  -1.445
   16    HB   THR   8           HB       THR   8  16.432  -4.143  -1.866
   17    HG1  THR   8           HG1      THR   8  16.326  -2.549   0.503
   18   HG21  THR   8          HG21      THR   8  18.324  -2.641  -1.485
   19   HG22  THR   8          HG22      THR   8  17.215  -1.284  -1.291
   20   HG23  THR   8          HG23      THR   8  17.347  -2.096  -2.852
   21    H    ALA   9           HN       ALA   9  15.118  -0.398  -2.900
   22    HA   ALA   9           HA       ALA   9  14.231   1.065  -0.503
   23    HB1  ALA   9           HB1      ALA   9  15.677   2.912  -1.196
   24    HB2  ALA   9           HB2      ALA   9  16.213   1.973  -2.590
   25    HB3  ALA   9           HB3      ALA   9  16.608   1.433  -0.958
   26    H    LEU  10           HN       LEU  10  12.204   1.671  -0.857
   27    HA   LEU  10           HA       LEU  10  11.493   2.628  -3.553
   28    HB2  LEU  10           HB2      LEU  10   9.760   1.193  -1.545
   29    HB3  LEU  10           HB1      LEU  10   9.168   1.903  -3.027
   30    HG   LEU  10           HG       LEU  10   9.341  -0.330  -3.571
   31   HD11  LEU  10          HD11      LEU  10  10.486   1.009  -5.227
   32   HD12  LEU  10          HD12      LEU  10  11.251  -0.573  -5.076
   33   HD13  LEU  10          HD13      LEU  10  12.002   0.844  -4.341
   34   HD21  LEU  10          HD21      LEU  10  11.212  -1.783  -2.943
   35   HD22  LEU  10          HD22      LEU  10  10.421  -1.084  -1.530
   36   HD23  LEU  10          HD23      LEU  10  11.964  -0.436  -2.088
   37    H    GLN  11           HN       GLN  11  11.019   4.721  -3.636
   38    HA   GLN  11           HA       GLN  11  10.034   6.073  -1.260
   39    HB2  GLN  11           HB2      GLN  11  10.831   7.063  -4.001
   40    HB3  GLN  11           HB1      GLN  11   9.973   8.087  -2.863
   41    HG2  GLN  11           HG2      GLN  11  12.141   8.683  -2.477
   42    HG3  GLN  11           HG1      GLN  11  11.872   7.465  -1.239
   43   HE21  GLN  11          HE21      GLN  11  14.378   8.344  -2.323
   44   HE22  GLN  11          HE22      GLN  11  15.132   6.969  -3.059
   45    H    CYS  12           HN       CYS  12   8.028   5.495  -0.856
   46    HA   CYS  12           HA       CYS  12   6.114   5.374  -3.065
   47    HB2  CYS  12           HB2      CYS  12   5.706   4.512  -0.203
   48    HB3  CYS  12           HB1      CYS  12   4.727   4.084  -1.602
   49    H    PHE  13           HN       PHE  13   5.092   7.196  -3.461
   50    HA   PHE  13           HA       PHE  13   4.788   9.429  -1.864
   51    HB2  PHE  13           HB2      PHE  13   4.291   9.553  -4.212
   52    HB3  PHE  13           HB1      PHE  13   3.045   8.319  -4.079
   53    HD1  PHE  13           HD1      PHE  13   3.889  11.821  -3.278
   54    HD2  PHE  13           HD2      PHE  13   0.834   8.870  -3.492
   55    HE1  PHE  13           HE1      PHE  13   2.183  13.573  -3.006
   56    HE2  PHE  13           HE2      PHE  13  -0.878  10.614  -3.217
   57    HZ   PHE  13           HZ       PHE  13  -0.205  12.972  -2.979
   58    H    CYS  14           HN       CYS  14   3.755   9.682   0.052
   59    HA   CYS  14           HA       CYS  14   1.672   7.708   0.631
   60    HB2  CYS  14           HB2      CYS  14   2.614   7.108   2.604
   61    HB3  CYS  14           HB1      CYS  14   4.081   7.639   1.790
   62    H    HIS  15           HN       HIS  15   0.221   8.313   2.474
   63    HA   HIS  15           HA       HIS  15  -0.900  10.859   1.812
   64    HB2  HIS  15           HB2      HIS  15  -2.802  10.233   3.116
   65    HB3  HIS  15           HB1      HIS  15  -2.284   8.831   2.196
   66    HD1  HIS  15           HD1      HIS  15  -2.942  10.010   5.625
   67    HD2  HIS  15           HD2      HIS  15  -1.020   6.797   3.799
   68    HE1  HIS  15           HE1      HIS  15  -2.656   8.270   7.423
   69    HE2  HIS  15           HE2      HIS  15  -1.450   6.347   6.312
   70    H    LEU  16           HN       LEU  16   0.846   9.610   4.609
   71    HA   LEU  16           HA       LEU  16   0.102  11.990   6.126
   72    HB2  LEU  16           HB2      LEU  16   1.136  10.767   8.063
   73    HB3  LEU  16           HB1      LEU  16  -0.311  10.059   7.380
   74    HG   LEU  16           HG       LEU  16   1.191   8.464   6.116
   75   HD11  LEU  16          HD11      LEU  16   3.449   8.145   6.949
   76   HD12  LEU  16          HD12      LEU  16   3.260   9.528   8.027
   77   HD13  LEU  16          HD13      LEU  16   3.247   9.766   6.280
   78   HD21  LEU  16          HD21      LEU  16  -0.030   7.764   8.083
   79   HD22  LEU  16          HD22      LEU  16   1.234   8.410   9.129
   80   HD23  LEU  16          HD23      LEU  16   1.576   7.036   8.079
   81    H    CYS  17           HN       CYS  17   2.519  11.100   4.121
   82    HA   CYS  17           HA       CYS  17   4.889  11.777   5.336
   83    HB2  CYS  17           HB2      CYS  17   3.960  12.169   2.502
   84    HB3  CYS  17           HB1      CYS  17   5.614  12.471   3.019
   85    H    THR  18           HN       THR  18   2.741  13.941   3.514
   86    HA   THR  18           HA       THR  18   2.768  16.165   3.147
   87    HB   THR  18           HB       THR  18   2.973  17.609   5.180
   88    HG1  THR  18           HG1      THR  18   3.713  15.150   6.312
   89   HG21  THR  18          HG21      THR  18   0.906  16.761   6.220
   90   HG22  THR  18          HG22      THR  18   1.101  15.254   5.325
   91   HG23  THR  18          HG23      THR  18   0.824  16.764   4.458
   92    H    LYS  19           HN       LYS  19   5.188  16.618   5.661
   93    HA   LYS  19           HA       LYS  19   6.876  17.867   3.652
   94    HB2  LYS  19           HB2      LYS  19   6.817  17.944   6.654
   95    HB3  LYS  19           HB1      LYS  19   8.246  18.485   5.783
   96    HG2  LYS  19           HG2      LYS  19   5.639  19.595   4.922
   97    HG3  LYS  19           HG1      LYS  19   6.273  20.128   6.480
   98    HD2  LYS  19           HD2      LYS  19   6.961  21.628   4.668
   99    HD3  LYS  19           HD1      LYS  19   8.348  20.837   5.413
  100    HE2  LYS  19           HE2      LYS  19   8.683  20.819   3.055
  101    HE3  LYS  19           HE1      LYS  19   8.304  19.174   3.554
  102    HZ1  LYS  19           HZ1      LYS  19   7.022  19.482   1.675
  103    HZ2  LYS  19           HZ2      LYS  19   6.636  21.084   2.055
  104    HZ3  LYS  19           HZ3      LYS  19   5.907  19.817   2.915
  105    H    ASP  20           HN       ASP  20   6.605  14.843   4.879
  106    HA   ASP  20           HA       ASP  20   9.392  14.163   4.612
  107    HB2  ASP  20           HB2      ASP  20   6.876  12.481   4.619
  108    HB3  ASP  20           HB1      ASP  20   8.486  11.797   4.428
  109    H    ASN  21           HN       ASN  21   8.898  15.746   2.552
  110    HA   ASN  21           HA       ASN  21   8.995  15.988   0.294
  111    HB2  ASN  21           HB2      ASN  21  10.916  14.387   0.754
  112    HB3  ASN  21           HB1      ASN  21   9.849  13.091   0.227
  113   HD21  ASN  21          HD21      ASN  21  11.060  12.540  -1.547
  114   HD22  ASN  21          HD22      ASN  21  11.182  13.554  -2.949
  115    H    PHE  22           HN       PHE  22   6.504  14.739   1.555
  116    HA   PHE  22           HA       PHE  22   4.510  13.824   0.984
  117    HB2  PHE  22           HB2      PHE  22   5.438  14.558  -1.797
  118    HB3  PHE  22           HB1      PHE  22   3.834  13.927  -1.443
  119    HD1  PHE  22           HD2      PHE  22   2.277  15.242  -0.030
  120    HD2  PHE  22           HD1      PHE  22   5.992  16.820  -1.388
  121    HE1  PHE  22           HE2      PHE  22   1.488  17.517   0.463
  122    HE2  PHE  22           HE1      PHE  22   5.205  19.101  -0.895
  123    HZ   PHE  22           HZ       PHE  22   2.949  19.450   0.031
  124    H    THR  23           HN       THR  23   7.180  12.277   0.822
  125    HA   THR  23           HA       THR  23   6.017   9.735   0.159
  126    HB   THR  23           HB       THR  23   6.521  10.374  -2.123
  127    HG1  THR  23           HG1      THR  23   8.629   8.644  -1.410
  128   HG21  THR  23          HG21      THR  23   8.790  10.895  -2.861
  129   HG22  THR  23          HG22      THR  23   9.368  10.764  -1.196
  130   HG23  THR  23          HG23      THR  23   8.256  12.062  -1.649
  131    H    CYS  24           HN       CYS  24   7.425   7.950   0.755
  132    HA   CYS  24           HA       CYS  24   9.644   8.833   2.417
  133    HB2  CYS  24           HB2      CYS  24   8.755   7.050   4.102
  134    HB3  CYS  24           HB1      CYS  24   8.039   8.657   4.095
  135    H    VAL  25           HN       VAL  25  11.340   7.466   2.378
  136    HA   VAL  25           HA       VAL  25  11.186   5.332   0.433
  137    HB   VAL  25           HB       VAL  25  13.081   6.873   0.327
  138   HG11  VAL  25          HG11      VAL  25  13.341   7.366   2.695
  139   HG12  VAL  25          HG12      VAL  25  14.864   6.827   1.988
  140   HG13  VAL  25          HG13      VAL  25  13.913   5.723   2.984
  141   HG21  VAL  25          HG21      VAL  25  13.881   4.050   1.012
  142   HG22  VAL  25          HG22      VAL  25  14.862   5.207   0.112
  143   HG23  VAL  25          HG23      VAL  25  13.336   4.632  -0.562
  144    H    THR  26           HN       THR  26  10.833   3.339   0.881
  145    HA   THR  26           HA       THR  26  10.812   2.435   3.671
  146    HB   THR  26           HB       THR  26   8.729   2.187   2.494
  147    HG1  THR  26           HG1      THR  26   8.461  -0.038   2.856
  148   HG21  THR  26          HG21      THR  26  10.265   0.502   0.511
  149   HG22  THR  26          HG22      THR  26   9.576   2.095   0.197
  150   HG23  THR  26          HG23      THR  26   8.515   0.727   0.535
  151    H    ASP  27           HN       ASP  27  11.394   0.232   4.127
  152    HA   ASP  27           HA       ASP  27  13.758  -0.658   2.643
  153    HB2  ASP  27           HB2      ASP  27  13.783  -0.301   5.163
  154    HB3  ASP  27           HB1      ASP  27  12.704  -1.685   5.287
  155    H    GLY  28           HN       GLY  28  10.482  -1.181   2.830
  156    HA2  GLY  28           HA2      GLY  28  10.688  -4.047   2.145
  157    HA3  GLY  28           HA1      GLY  28   9.245  -3.263   2.771
  158    H    LEU  29           HN       LEU  29   8.173  -1.689   1.353
  159    HA   LEU  29           HA       LEU  29   8.646  -1.554  -1.374
  160    HB2  LEU  29           HB2      LEU  29   6.756  -3.002  -2.204
  161    HB3  LEU  29           HB1      LEU  29   8.197  -3.836  -1.664
  162    HG   LEU  29           HG       LEU  29   6.385  -3.679   0.540
  163   HD11  LEU  29          HD11      LEU  29   4.622  -3.371  -1.120
  164   HD12  LEU  29          HD12      LEU  29   4.519  -4.965  -0.370
  165   HD13  LEU  29          HD13      LEU  29   5.189  -4.794  -1.993
  166   HD21  LEU  29          HD21      LEU  29   7.296  -5.972  -1.194
  167   HD22  LEU  29          HD22      LEU  29   6.558  -6.115   0.401
  168   HD23  LEU  29          HD23      LEU  29   8.135  -5.346   0.227
  169    H    CYS  30           HN       CYS  30   6.201  -1.208  -2.498
  170    HA   CYS  30           HA       CYS  30   5.145   1.012  -0.916
  171    HB2  CYS  30           HB2      CYS  30   4.842   0.241  -3.816
  172    HB3  CYS  30           HB1      CYS  30   3.915   1.542  -3.075
  173    H    PHE  31           HN       PHE  31   2.897   1.296  -0.523
  174    HA   PHE  31           HA       PHE  31   1.090  -0.875  -1.086
  175    HB2  PHE  31           HB2      PHE  31   2.170  -1.787   0.859
  176    HB3  PHE  31           HB1      PHE  31   1.961  -0.280   1.738
  177    HD1  PHE  31           HD1      PHE  31   0.261  -3.261   0.436
  178    HD2  PHE  31           HD2      PHE  31  -0.124   0.268   2.782
  179    HE1  PHE  31           HE1      PHE  31  -1.879  -4.090   1.321
  180    HE2  PHE  31           HE2      PHE  31  -2.264  -0.556   3.673
  181    HZ   PHE  31           HZ       PHE  31  -3.141  -2.735   2.947
  182    H    VAL  32           HN       VAL  32  -0.663   0.156  -1.763
  183    HA   VAL  32           HA       VAL  32  -1.661   2.448  -0.196
  184    HB   VAL  32           HB       VAL  32  -2.379   1.671  -3.036
  185   HG11  VAL  32          HG11      VAL  32  -4.225   2.743  -1.878
  186   HG12  VAL  32          HG12      VAL  32  -3.556   3.814  -3.109
  187   HG13  VAL  32          HG13      VAL  32  -3.175   4.078  -1.407
  188   HG21  VAL  32          HG21      VAL  32  -0.746   4.013  -2.074
  189   HG22  VAL  32          HG22      VAL  32  -1.161   3.639  -3.752
  190   HG23  VAL  32          HG23      VAL  32  -0.096   2.566  -2.842
  191    H    SER  33           HN       SER  33  -3.496   2.163   0.938
  192    HA   SER  33           HA       SER  33  -5.131  -0.226   0.392
  193    HB2  SER  33           HB2      SER  33  -6.180   0.385   2.623
  194    HB3  SER  33           HB1      SER  33  -4.490  -0.111   2.697
  195    HG   SER  33           HG       SER  33  -5.545   2.519   2.823
  196    H    VAL  34           HN       VAL  34  -6.522   0.235  -1.158
  197    HA   VAL  34           HA       VAL  34  -8.040   2.743  -0.991
  198    HB   VAL  34           HB       VAL  34  -7.951   0.713  -3.246
  199   HG11  VAL  34          HG11      VAL  34 -10.049   1.936  -3.191
  200   HG12  VAL  34          HG12      VAL  34  -9.074   2.450  -4.567
  201   HG13  VAL  34          HG13      VAL  34  -9.176   3.467  -3.131
  202   HG21  VAL  34          HG21      VAL  34  -5.800   1.818  -3.009
  203   HG22  VAL  34          HG22      VAL  34  -6.587   3.395  -3.013
  204   HG23  VAL  34          HG23      VAL  34  -6.625   2.389  -4.460
  205    H    THR  35           HN       THR  35  -9.589   2.331   0.508
  206    HA   THR  35           HA       THR  35 -11.239  -0.077   0.127
  207    HB   THR  35           HB       THR  35 -10.699   1.442   2.690
  208    HG1  THR  35           HG1      THR  35 -10.003  -1.241   2.030
  209   HG21  THR  35          HG21      THR  35 -12.961   0.534   2.682
  210   HG22  THR  35          HG22      THR  35 -11.939  -0.383   3.788
  211   HG23  THR  35          HG23      THR  35 -12.343  -1.047   2.206
  212    H    GLU  36           HN       GLU  36 -12.810   0.793  -1.191
  213    HA   GLU  36           HA       GLU  36 -14.072   3.326  -0.408
  214    HB2  GLU  36           HB2      GLU  36 -14.562   1.615  -2.859
  215    HB3  GLU  36           HB1      GLU  36 -15.146   3.254  -2.583
  216    HG2  GLU  36           HG2      GLU  36 -12.795   4.033  -2.542
  217    HG3  GLU  36           HG1      GLU  36 -12.269   2.392  -2.909
  218    H    THR  37           HN       THR  37 -15.425   2.994   1.187
  219    HA   THR  37           HA       THR  37 -17.360   0.799   0.963
  220    HB   THR  37           HB       THR  37 -17.796   1.340   3.408
  221    HG1  THR  37           HG1      THR  37 -15.280   2.491   3.617
  222   HG21  THR  37          HG21      THR  37 -16.492  -0.602   2.815
  223   HG22  THR  37          HG22      THR  37 -15.749   0.188   4.207
  224   HG23  THR  37          HG23      THR  37 -15.048   0.387   2.600
  225    H    THR  38           HN       THR  38 -19.485   1.581   2.278
  226    HA   THR  38           HA       THR  38 -20.431   3.932   0.919
  227    HB   THR  38           HB       THR  38 -22.486   3.496   2.466
  228    HG1  THR  38           HG1      THR  38 -21.729   2.078   3.960
  229   HG21  THR  38          HG21      THR  38 -21.650   1.437   0.420
  230   HG22  THR  38          HG22      THR  38 -22.435   2.977   0.070
  231   HG23  THR  38          HG23      THR  38 -23.299   1.734   0.974
  232    H    ASP  39           HN       ASP  39 -18.595   3.380   3.601
  233    HA   ASP  39           HA       ASP  39 -19.461   5.504   5.313
  234    HB2  ASP  39           HB2      ASP  39 -18.091   3.638   6.147
  235    HB3  ASP  39           HB1      ASP  39 -16.797   4.087   5.034
  236    H    LYS  40           HN       LYS  40 -16.721   5.022   3.174
  237    HA   LYS  40           HA       LYS  40 -17.093   7.296   1.602
  238    HB2  LYS  40           HB2      LYS  40 -15.254   8.719   2.329
  239    HB3  LYS  40           HB1      LYS  40 -16.381   8.506   3.661
  240    HG2  LYS  40           HG2      LYS  40 -14.844   6.671   4.485
  241    HG3  LYS  40           HG1      LYS  40 -13.678   7.259   3.301
  242    HD2  LYS  40           HD2      LYS  40 -13.077   8.362   5.265
  243    HD3  LYS  40           HD1      LYS  40 -14.034   9.557   4.391
  244    HE2  LYS  40           HE2      LYS  40 -15.136   7.743   6.531
  245    HE3  LYS  40           HE1      LYS  40 -14.558   9.382   6.830
  246    HZ1  LYS  40           HZ1      LYS  40 -16.249  10.179   5.249
  247    HZ2  LYS  40           HZ2      LYS  40 -16.933   9.378   6.579
  248    HZ3  LYS  40           HZ3      LYS  40 -16.828   8.594   5.085
  249    H    VAL  41           HN       VAL  41 -14.883   7.656   0.327
  250    HA   VAL  41           HA       VAL  41 -13.877   4.999  -0.230
  251    HB   VAL  41           HB       VAL  41 -12.819   6.027  -2.183
  252   HG11  VAL  41          HG11      VAL  41 -15.129   5.209  -2.324
  253   HG12  VAL  41          HG12      VAL  41 -14.836   6.552  -3.425
  254   HG13  VAL  41          HG13      VAL  41 -15.707   6.822  -1.916
  255   HG21  VAL  41          HG21      VAL  41 -12.328   8.215  -1.308
  256   HG22  VAL  41          HG22      VAL  41 -14.050   8.579  -1.206
  257   HG23  VAL  41          HG23      VAL  41 -13.288   8.352  -2.781
  258    H    ILE  42           HN       ILE  42 -12.238   4.340   1.032
  259    HA   ILE  42           HA       ILE  42 -10.574   6.425   2.251
  260    HB   ILE  42           HB       ILE  42 -10.807   3.521   3.077
  261   HG12  ILE  42          HG12      ILE  42 -12.117   5.945   4.332
  262   HG13  ILE  42          HG11      ILE  42 -12.952   4.779   3.313
  263   HG21  ILE  42          HG21      ILE  42  -9.760   4.304   5.164
  264   HG22  ILE  42          HG22      ILE  42  -9.610   5.919   4.470
  265   HG23  ILE  42          HG23      ILE  42  -8.723   4.569   3.762
  266   HD11  ILE  42          HD11      ILE  42 -12.506   3.026   4.935
  267   HD12  ILE  42          HD12      ILE  42 -13.367   4.376   5.673
  268   HD13  ILE  42          HD13      ILE  42 -11.636   4.176   5.951
  269    H    HIS  43           HN       HIS  43  -9.124   6.762   0.597
  270    HA   HIS  43           HA       HIS  43  -7.479   4.429  -0.100
  271    HB2  HIS  43           HB2      HIS  43  -6.799   5.671  -2.149
  272    HB3  HIS  43           HB1      HIS  43  -8.507   5.266  -2.102
  273    HD1  HIS  43           HD1      HIS  43  -6.202   8.063  -2.546
  274    HD2  HIS  43           HD2      HIS  43 -10.207   7.557  -1.540
  275    HE1  HIS  43           HE1      HIS  43  -7.288  10.300  -2.936
  276    HE2  HIS  43           HE2      HIS  43  -9.750   9.898  -2.542
  277    H    ASN  44           HN       ASN  44  -5.678   4.380   0.986
  278    HA   ASN  44           HA       ASN  44  -4.336   6.918   1.566
  279    HB2  ASN  44           HB2      ASN  44  -4.967   4.699   3.485
  280    HB3  ASN  44           HB1      ASN  44  -3.534   5.692   3.726
  281   HD21  ASN  44          HD21      ASN  44  -6.439   7.075   2.365
  282   HD22  ASN  44          HD22      ASN  44  -6.871   7.997   3.761
  283    H    SER  45           HN       SER  45  -2.411   6.927   0.657
  284    HA   SER  45           HA       SER  45  -1.089   4.420  -0.003
  285    HB2  SER  45           HB2      SER  45   0.506   6.054  -1.169
  286    HB3  SER  45           HB1      SER  45  -1.139   5.968  -1.798
  287    HG   SER  45           HG       SER  45   0.008   8.125  -1.185
  288    H    MET  46           HN       MET  46   0.622   3.615   1.027
  289    HA   MET  46           HA       MET  46   2.148   5.404   2.780
  290    HB2  MET  46           HB2      MET  46   0.483   4.180   4.154
  291    HB3  MET  46           HB1      MET  46   1.138   2.659   3.565
  292    HG2  MET  46           HG2      MET  46   3.295   3.209   4.605
  293    HG3  MET  46           HG1      MET  46   2.595   4.700   5.231
  294    HE1  MET  46           HE1      MET  46   2.538   0.783   5.359
  295    HE2  MET  46           HE2      MET  46   0.878   1.176   4.907
  296    HE3  MET  46           HE3      MET  46   1.220   0.481   6.491
  297    H    CYS  47           HN       CYS  47   4.306   4.857   2.983
  298    HA   CYS  47           HA       CYS  47   5.408   2.896   1.177
  299    HB2  CYS  47           HB2      CYS  47   7.576   3.520   2.319
  300    HB3  CYS  47           HB1      CYS  47   6.748   4.856   1.529
  301    H    ILE  48           HN       ILE  48   5.299   0.803   1.663
  302    HA   ILE  48           HA       ILE  48   4.767   0.094   4.425
  303    HB   ILE  48           HB       ILE  48   3.661  -0.833   2.142
  304   HG12  ILE  48          HG12      ILE  48   3.798  -1.687   4.909
  305   HG13  ILE  48          HG11      ILE  48   2.410  -1.525   3.840
  306   HG21  ILE  48          HG21      ILE  48   5.602  -1.949   1.284
  307   HG22  ILE  48          HG22      ILE  48   4.392  -3.151   1.741
  308   HG23  ILE  48          HG23      ILE  48   5.789  -2.861   2.781
  309   HD11  ILE  48          HD11      ILE  48   2.597  -3.796   4.642
  310   HD12  ILE  48          HD12      ILE  48   4.239  -3.910   4.006
  311   HD13  ILE  48          HD13      ILE  48   2.873  -3.735   2.902
  312    H    ALA  49           HN       ALA  49   6.538  -0.086   5.675
  313    HA   ALA  49           HA       ALA  49   9.064  -0.739   4.634
  314    HB1  ALA  49           HB1      ALA  49   9.809  -0.802   6.951
  315    HB2  ALA  49           HB2      ALA  49   8.136  -0.820   7.506
  316    HB3  ALA  49           HB3      ALA  49   8.774   0.598   6.673
  317    H    GLU  50           HN       GLU  50  10.362  -2.575   5.321
  318    HA   GLU  50           HA       GLU  50   9.147  -5.005   4.622
  319    HB2  GLU  50           HB2      GLU  50  11.588  -4.448   4.502
  320    HB3  GLU  50           HB1      GLU  50  11.663  -4.678   6.245
  321    HG2  GLU  50           HG2      GLU  50  10.982  -6.988   6.001
  322    HG3  GLU  50           HG1      GLU  50  10.818  -6.774   4.258
  323    H    ILE  51           HN       ILE  51   9.726  -3.509   7.729
  324    HA   ILE  51           HA       ILE  51   8.962  -5.666   9.384
  325    HB   ILE  51           HB       ILE  51   8.602  -3.967  11.126
  326   HG12  ILE  51          HG12      ILE  51   9.548  -1.684   9.587
  327   HG13  ILE  51          HG11      ILE  51   8.017  -2.299   8.970
  328   HG21  ILE  51          HG21      ILE  51  10.887  -3.076  11.173
  329   HG22  ILE  51          HG22      ILE  51  11.089  -3.524   9.481
  330   HG23  ILE  51          HG23      ILE  51  10.856  -4.776  10.701
  331   HD11  ILE  51          HD11      ILE  51   7.644  -0.563  10.607
  332   HD12  ILE  51          HD12      ILE  51   8.566  -1.471  11.806
  333   HD13  ILE  51          HD13      ILE  51   7.038  -2.114  11.194
  334    H    ASP  52           HN       ASP  52   7.185  -3.391   7.484
  335    HA   ASP  52           HA       ASP  52   4.691  -3.772   8.910
  336    HB2  ASP  52           HB2      ASP  52   5.491  -2.119   6.523
  337    HB3  ASP  52           HB1      ASP  52   3.808  -2.327   6.974
  338    H    LEU  53           HN       LEU  53   6.386  -5.483   6.622
  339    HA   LEU  53           HA       LEU  53   4.219  -6.408   5.015
  340    HB2  LEU  53           HB2      LEU  53   6.770  -7.887   5.673
  341    HB3  LEU  53           HB1      LEU  53   5.703  -8.185   4.318
  342    HG   LEU  53           HG       LEU  53   7.444  -5.755   4.721
  343   HD11  LEU  53          HD11      LEU  53   8.589  -6.582   2.711
  344   HD12  LEU  53          HD12      LEU  53   7.567  -8.020   2.736
  345   HD13  LEU  53          HD13      LEU  53   8.696  -7.717   4.056
  346   HD21  LEU  53          HD21      LEU  53   6.676  -5.019   2.549
  347   HD22  LEU  53          HD22      LEU  53   5.306  -5.190   3.647
  348   HD23  LEU  53          HD23      LEU  53   5.616  -6.421   2.422
  349    H    ILE  54           HN       ILE  54   2.528  -7.469   5.843
  350    HA   ILE  54           HA       ILE  54   3.009  -9.295   8.104
  351    HB   ILE  54           HB       ILE  54   0.465  -7.717   7.804
  352   HG12  ILE  54          HG12      ILE  54   2.903  -6.912   9.428
  353   HG13  ILE  54          HG11      ILE  54   2.287  -6.079   7.996
  354   HG21  ILE  54          HG21      ILE  54   0.379  -9.689   9.212
  355   HG22  ILE  54          HG22      ILE  54   0.236  -8.234  10.197
  356   HG23  ILE  54          HG23      ILE  54   1.764  -9.115  10.141
  357   HD11  ILE  54          HD11      ILE  54   0.824  -6.399  10.604
  358   HD12  ILE  54          HD12      ILE  54   0.238  -5.546   9.176
  359   HD13  ILE  54          HD13      ILE  54   1.651  -4.944  10.046
  360    HA   PRO  55           HA       PRO  55   3.270 -11.195   8.306
  361    HB2  PRO  55           HB2      PRO  55   3.694 -13.490   6.541
  362    HB3  PRO  55           HB1      PRO  55   3.299 -13.464   8.261
  363    HG2  PRO  55           HG2      PRO  55   1.536 -14.279   6.385
  364    HG3  PRO  55           HG1      PRO  55   1.032 -13.464   7.878
  365    HD2  PRO  55           HD2      PRO  55   1.325 -12.345   5.114
  366    HD3  PRO  55           HD1      PRO  55   0.054 -12.050   6.322
  367    H    ARG  56           HN       ARG  56   5.610 -11.757   7.871
  368    HA   ARG  56           HA       ARG  56   6.611  -9.715   6.176
  369    HB2  ARG  56           HB2      ARG  56   7.553 -10.911   8.383
  370    HB3  ARG  56           HB1      ARG  56   8.445 -11.834   7.186
  371    HG2  ARG  56           HG2      ARG  56   8.456  -8.833   7.222
  372    HG3  ARG  56           HG1      ARG  56   9.592  -9.794   8.166
  373    HD2  ARG  56           HD2      ARG  56   9.241 -10.037   5.184
  374    HD3  ARG  56           HD1      ARG  56  10.459  -9.020   5.956
  375    HE   ARG  56           HE       ARG  56  11.194 -11.229   7.036
  376   HH11  ARG  56          HH11      ARG  56   9.717 -11.056   3.868
  377   HH12  ARG  56          HH12      ARG  56  10.657 -12.358   3.207
  378   HH21  ARG  56          HH21      ARG  56  12.442 -12.948   6.179
  379   HH22  ARG  56          HH22      ARG  56  12.216 -13.437   4.521
  380    H    ASP  57           HN       ASP  57   5.797 -12.957   5.567
  381    HA   ASP  57           HA       ASP  57   7.744 -13.511   3.534
  382    HB2  ASP  57           HB2      ASP  57   6.662 -15.319   4.828
  383    HB3  ASP  57           HB1      ASP  57   5.100 -14.859   4.158
  384    H    ARG  58           HN       ARG  58   4.319 -12.751   3.649
  385    HA   ARG  58           HA       ARG  58   4.482 -11.104   1.309
  386    HB2  ARG  58           HB2      ARG  58   4.142 -13.446   0.420
  387    HB3  ARG  58           HB1      ARG  58   2.625 -13.494   1.327
  388    HG2  ARG  58           HG2      ARG  58   1.789 -11.615   0.071
  389    HG3  ARG  58           HG1      ARG  58   3.307 -11.515  -0.822
  390    HD2  ARG  58           HD2      ARG  58   2.936 -13.711  -1.765
  391    HD3  ARG  58           HD1      ARG  58   1.472 -13.906  -0.802
  392    HE   ARG  58           HE       ARG  58   1.262 -11.583  -2.389
  393   HH11  ARG  58          HH11      ARG  58   1.288 -15.074  -2.688
  394   HH12  ARG  58          HH12      ARG  58   0.266 -15.087  -4.092
  395   HH21  ARG  58          HH21      ARG  58  -0.061 -11.601  -4.251
  396   HH22  ARG  58          HH22      ARG  58  -0.504 -13.118  -4.984
  397    HA   PRO  59           HA       PRO  59   1.700  -9.257   4.367
  398    HB2  PRO  59           HB2      PRO  59   1.112  -7.230   2.465
  399    HB3  PRO  59           HB1      PRO  59   2.157  -7.109   3.891
  400    HG2  PRO  59           HG2      PRO  59   2.889  -7.462   1.067
  401    HG3  PRO  59           HG1      PRO  59   3.860  -6.855   2.413
  402    HD2  PRO  59           HD2      PRO  59   4.244  -9.295   1.260
  403    HD3  PRO  59           HD1      PRO  59   4.641  -8.946   2.953
  404    H    PHE  60           HN       PHE  60   0.006 -10.707   4.302
  405    HA   PHE  60           HA       PHE  60  -1.644 -11.080   2.047
  406    HB2  PHE  60           HB2      PHE  60  -3.043 -12.369   3.409
  407    HB3  PHE  60           HB1      PHE  60  -1.453 -12.583   4.108
  408    HD1  PHE  60           HD1      PHE  60  -4.232 -10.125   4.502
  409    HD2  PHE  60           HD2      PHE  60  -1.465 -12.747   6.419
  410    HE1  PHE  60           HE1      PHE  60  -5.097  -9.429   6.695
  411    HE2  PHE  60           HE2      PHE  60  -2.328 -12.038   8.616
  412    HZ   PHE  60           HZ       PHE  60  -4.145 -10.512   8.794
  413    H    VAL  61           HN       VAL  61  -1.318  -8.546   4.257
  414    HA   VAL  61           HA       VAL  61  -3.871  -7.409   4.245
  415    HB   VAL  61           HB       VAL  61  -1.260  -5.883   4.195
  416   HG11  VAL  61          HG11      VAL  61  -3.281  -4.524   3.926
  417   HG12  VAL  61          HG12      VAL  61  -2.477  -4.204   5.463
  418   HG13  VAL  61          HG13      VAL  61  -3.930  -5.204   5.419
  419   HG21  VAL  61          HG21      VAL  61  -2.688  -7.108   6.553
  420   HG22  VAL  61          HG22      VAL  61  -1.287  -6.041   6.641
  421   HG23  VAL  61          HG23      VAL  61  -1.140  -7.629   5.886
  422    H    CYS  62           HN       CYS  62  -1.529  -7.783   1.776
  423    HA   CYS  62           HA       CYS  62  -2.727  -5.776   0.078
  424    HB2  CYS  62           HB2      CYS  62  -0.305  -5.957   0.004
  425    HB3  CYS  62           HB1      CYS  62  -0.412  -7.670  -0.379
  426    H    ALA  63           HN       ALA  63  -3.434  -8.830   0.951
  427    HA   ALA  63           HA       ALA  63  -5.275  -9.145  -1.249
  428    HB1  ALA  63           HB1      ALA  63  -4.568 -11.332  -1.975
  429    HB2  ALA  63           HB2      ALA  63  -3.233 -11.319  -0.819
  430    HB3  ALA  63           HB3      ALA  63  -3.240 -10.187  -2.173
  431    HA   PRO  64           HA       PRO  64  -6.515 -10.806   2.890
  432    HB2  PRO  64           HB2      PRO  64  -8.574  -8.880   3.163
  433    HB3  PRO  64           HB1      PRO  64  -7.007  -8.888   3.970
  434    HG2  PRO  64           HG2      PRO  64  -7.864  -7.024   2.074
  435    HG3  PRO  64           HG1      PRO  64  -6.194  -7.275   2.606
  436    HD2  PRO  64           HD2      PRO  64  -7.573  -8.255   0.153
  437    HD3  PRO  64           HD1      PRO  64  -5.883  -7.756   0.383
  438    H    SER  65           HN       SER  65  -7.504 -11.427   0.092
  439    HA   SER  65           HA       SER  65  -9.161 -12.605  -0.910
  440    HB2  SER  65           HB2      SER  65 -10.099 -13.139   1.921
  441    HB3  SER  65           HB1      SER  65 -10.522 -14.074   0.488
  442    HG   SER  65           HG       SER  65  -8.244 -14.538   0.276
  443    H    SER  66           HN       SER  66  -9.529  -9.818  -0.569
  444    HA   SER  66           HA       SER  66 -11.991  -8.935   0.278
  445    HB2  SER  66           HB2      SER  66 -10.494  -8.105  -2.227
  446    HB3  SER  66           HB1      SER  66 -11.750  -7.156  -1.420
  447    HG   SER  66           HG       SER  66  -9.546  -6.570  -0.874
  448    H    LYS  67           HN       LYS  67 -13.963  -9.725  -0.153
  449    HA   LYS  67           HA       LYS  67 -14.248 -11.390  -2.538
  450    HB2  LYS  67           HB2      LYS  67 -14.712 -12.366  -0.312
  451    HB3  LYS  67           HB1      LYS  67 -16.022 -11.214  -0.103
  452    HG2  LYS  67           HG2      LYS  67 -17.206 -12.174  -1.984
  453    HG3  LYS  67           HG1      LYS  67 -15.871 -13.292  -2.274
  454    HD2  LYS  67           HD2      LYS  67 -16.239 -14.318  -0.096
  455    HD3  LYS  67           HD1      LYS  67 -17.546 -13.177   0.232
  456    HE2  LYS  67           HE2      LYS  67 -17.494 -15.180  -2.022
  457    HE3  LYS  67           HE1      LYS  67 -18.380 -15.369  -0.510
  458    HZ1  LYS  67           HZ1      LYS  67 -19.821 -14.579  -2.268
  459    HZ2  LYS  67           HZ2      LYS  67 -18.825 -13.232  -2.528
  460    HZ3  LYS  67           HZ3      LYS  67 -19.667 -13.395  -1.064
  461    H    THR  68           HN       THR  68 -16.010  -8.805  -0.816
  462    HA   THR  68           HA       THR  68 -17.081  -7.835  -3.292
  463    HB   THR  68           HB       THR  68 -18.576  -9.741  -2.990
  464    HG1  THR  68           HG1      THR  68 -20.512  -8.617  -3.158
  465   HG21  THR  68          HG21      THR  68 -18.391  -9.942  -0.549
  466   HG22  THR  68          HG22      THR  68 -20.069  -9.929  -1.088
  467   HG23  THR  68          HG23      THR  68 -19.364  -8.482  -0.364
  468    H    GLY  69           HN       GLY  69 -17.186  -7.792   0.238
  469    HA2  GLY  69           HA2      GLY  69 -18.289  -5.099   0.252
  470    HA3  GLY  69           HA1      GLY  69 -17.938  -6.091   1.661
  471    H    SER  70           HN       SER  70 -17.296  -3.383   1.417
  472    HA   SER  70           HA       SER  70 -15.623  -2.059   2.204
  473    HB2  SER  70           HB2      SER  70 -13.874  -4.508   1.994
  474    HB3  SER  70           HB1      SER  70 -13.385  -2.973   2.711
  475    HG   SER  70           HG       SER  70 -15.742  -4.212   3.620
  476    H    VAL  71           HN       VAL  71 -15.268  -3.873  -0.691
  477    HA   VAL  71           HA       VAL  71 -13.904  -3.690  -2.535
  478    HB   VAL  71           HB       VAL  71 -14.587  -0.759  -2.268
  479   HG11  VAL  71          HG11      VAL  71 -14.592  -0.825  -4.739
  480   HG12  VAL  71          HG12      VAL  71 -14.054  -2.504  -4.670
  481   HG13  VAL  71          HG13      VAL  71 -13.018  -1.220  -4.048
  482   HG21  VAL  71          HG21      VAL  71 -16.644  -1.278  -3.519
  483   HG22  VAL  71          HG22      VAL  71 -16.610  -2.056  -1.936
  484   HG23  VAL  71          HG23      VAL  71 -16.271  -2.996  -3.388
  485    H    THR  72           HN       THR  72 -12.147  -4.125  -0.861
  486    HA   THR  72           HA       THR  72 -10.281  -1.892  -0.580
  487    HB   THR  72           HB       THR  72 -10.298  -4.645   0.674
  488    HG1  THR  72           HG1      THR  72 -11.124  -3.653   2.391
  489   HG21  THR  72          HG21      THR  72  -8.436  -3.825   2.067
  490   HG22  THR  72          HG22      THR  72  -8.387  -2.342   1.113
  491   HG23  THR  72          HG23      THR  72  -7.991  -3.888   0.362
  492    H    THR  73           HN       THR  73  -9.292  -1.645  -2.459
  493    HA   THR  73           HA       THR  73  -8.035  -3.976  -3.722
  494    HB   THR  73           HB       THR  73  -7.634  -2.387  -5.642
  495    HG1  THR  73           HG1      THR  73  -7.976  -0.473  -4.264
  496   HG21  THR  73          HG21      THR  73  -9.973  -2.441  -6.425
  497   HG22  THR  73          HG22      THR  73 -10.492  -2.869  -4.794
  498   HG23  THR  73          HG23      THR  73  -9.469  -3.974  -5.714
  499    H    THR  74           HN       THR  74  -6.179  -4.295  -2.666
  500    HA   THR  74           HA       THR  74  -4.711  -2.042  -1.619
  501    HB   THR  74           HB       THR  74  -3.305  -4.118  -0.739
  502    HG1  THR  74           HG1      THR  74  -4.344  -5.796  -1.697
  503   HG21  THR  74          HG21      THR  74  -4.783  -4.156   1.230
  504   HG22  THR  74          HG22      THR  74  -6.023  -3.308   0.307
  505   HG23  THR  74          HG23      THR  74  -4.491  -2.510   0.666
  506    H    TYR  75           HN       TYR  75  -3.071  -1.194  -2.539
  507    HA   TYR  75           HA       TYR  75  -1.768  -2.458  -4.818
  508    HB2  TYR  75           HB2      TYR  75  -1.593   0.269  -3.539
  509    HB3  TYR  75           HB1      TYR  75  -0.512  -0.238  -4.823
  510    HD1  TYR  75           HD2      TYR  75  -4.127  -1.096  -4.746
  511    HD2  TYR  75           HD1      TYR  75  -1.100   1.426  -6.335
  512    HE1  TYR  75           HE2      TYR  75  -5.713  -0.258  -6.436
  513    HE2  TYR  75           HE1      TYR  75  -2.646   2.270  -8.009
  514    HH   TYR  75           HH       TYR  75  -4.710   1.557  -9.147
  515    H    CYS  76           HN       CYS  76  -0.067  -3.790  -4.346
  516    HA   CYS  76           HA       CYS  76   1.988  -2.528  -2.675
  517    HB2  CYS  76           HB2      CYS  76   2.607  -4.641  -1.641
  518    HB3  CYS  76           HB1      CYS  76   0.919  -4.280  -1.325
  519    H    CYS  77           HN       CYS  77   3.932  -2.401  -3.595
  520    HA   CYS  77           HA       CYS  77   4.698  -4.187  -5.751
  521    HB2  CYS  77           HB2      CYS  77   5.043  -2.275  -7.353
  522    HB3  CYS  77           HB1      CYS  77   3.365  -2.695  -7.043
  523    H    ASN  78           HN       ASN  78   6.889  -3.662  -6.612
  524    HA   ASN  78           HA       ASN  78   8.524  -2.493  -4.458
  525    HB2  ASN  78           HB2      ASN  78   8.957  -4.908  -6.178
  526    HB3  ASN  78           HB1      ASN  78  10.336  -4.061  -5.485
  527   HD21  ASN  78          HD21      ASN  78  10.680  -4.127  -3.282
  528   HD22  ASN  78          HD22      ASN  78   9.835  -5.218  -2.242
  529    H    GLN  79           HN       GLN  79   7.406  -1.466  -7.181
  530    HA   GLN  79           HA       GLN  79   9.895  -0.541  -8.379
  531    HB2  GLN  79           HB2      GLN  79   7.071   0.325  -9.032
  532    HB3  GLN  79           HB1      GLN  79   8.509   0.648  -9.983
  533    HG2  GLN  79           HG2      GLN  79   7.565  -1.066 -11.158
  534    HG3  GLN  79           HG1      GLN  79   8.672  -1.949 -10.109
  535   HE21  GLN  79          HE21      GLN  79   5.358  -1.086 -10.705
  536   HE22  GLN  79          HE22      GLN  79   4.633  -2.333  -9.731
  537    H    ASP  80           HN       ASP  80  10.478   1.742  -8.440
  538    HA   ASP  80           HA       ASP  80   9.873   3.083  -5.995
  539    HB2  ASP  80           HB2      ASP  80  11.269   4.896  -6.774
  540    HB3  ASP  80           HB1      ASP  80  12.060   3.365  -7.123
  541    H    HIS  81           HN       HIS  81   8.287   4.361  -5.532
  542    HA   HIS  81           HA       HIS  81   6.604   5.892  -5.649
  543    HB2  HIS  81           HB2      HIS  81   8.465   6.879  -7.290
  544    HB3  HIS  81           HB1      HIS  81   7.202   6.590  -8.481
  545    HD1  HIS  81           HD1      HIS  81   5.312   8.271  -8.589
  546    HD2  HIS  81           HD2      HIS  81   7.759   8.771  -5.259
  547    HE1  HIS  81           HE1      HIS  81   4.614  10.455  -7.549
  548    HE2  HIS  81           HE2      HIS  81   6.290  10.850  -5.704
  549    H    CYS  82           HN       CYS  82   6.323   3.064  -6.812
  550    HA   CYS  82           HA       CYS  82   4.282   3.365  -8.860
  551    HB2  CYS  82           HB2      CYS  82   4.140   0.890  -8.725
  552    HB3  CYS  82           HB1      CYS  82   5.784   1.460  -8.999
  553    H    ASN  83           HN       ASN  83   4.090   4.119  -5.832
  554    HA   ASN  83           HA       ASN  83   2.632   2.303  -4.405
  555    HB2  ASN  83           HB2      ASN  83   3.744   4.614  -3.770
  556    HB3  ASN  83           HB1      ASN  83   2.094   5.200  -3.950
  557   HD21  ASN  83          HD21      ASN  83   2.195   5.697  -1.678
  558   HD22  ASN  83          HD22      ASN  83   1.940   4.436  -0.517
  559    H    LYS  84           HN       LYS  84   1.024   5.236  -5.692
  560    HA   LYS  84           HA       LYS  84  -1.480   3.757  -5.339
  561    HB2  LYS  84           HB2      LYS  84  -2.637   5.835  -5.406
  562    HB3  LYS  84           HB1      LYS  84  -1.225   6.078  -4.391
  563    HG2  LYS  84           HG2      LYS  84  -0.133   7.360  -6.022
  564    HG3  LYS  84           HG1      LYS  84  -1.225   6.817  -7.298
  565    HD2  LYS  84           HD2      LYS  84  -1.874   8.656  -4.997
  566    HD3  LYS  84           HD1      LYS  84  -1.801   9.074  -6.710
  567    HE2  LYS  84           HE2      LYS  84  -3.819   7.316  -5.317
  568    HE3  LYS  84           HE1      LYS  84  -4.109   8.863  -6.105
  569    HZ1  LYS  84           HZ1      LYS  84  -3.349   6.319  -7.445
  570    HZ2  LYS  84           HZ2      LYS  84  -3.520   7.803  -8.237
  571    HZ3  LYS  84           HZ3      LYS  84  -4.862   7.073  -7.506
  572    H    ILE  85           HN       ILE  85   0.318   3.123  -7.518
  573    HA   ILE  85           HA       ILE  85  -1.426   3.700  -9.793
  574    HB   ILE  85           HB       ILE  85   1.513   4.007 -10.275
  575   HG12  ILE  85          HG12      ILE  85   1.035   6.569 -10.102
  576   HG13  ILE  85          HG11      ILE  85  -0.265   6.091  -9.019
  577   HG21  ILE  85          HG21      ILE  85   0.006   3.864 -12.144
  578   HG22  ILE  85          HG22      ILE  85   0.673   5.494 -12.049
  579   HG23  ILE  85          HG23      ILE  85  -0.973   5.180 -11.496
  580   HD11  ILE  85          HD11      ILE  85   1.764   6.738  -7.819
  581   HD12  ILE  85          HD12      ILE  85   2.649   5.439  -8.621
  582   HD13  ILE  85          HD13      ILE  85   1.324   5.056  -7.517
  583    H    GLU  86           HN       GLU  86  -0.515   1.396  -8.079
  584    HA   GLU  86           HA       GLU  86   0.834  -0.393  -9.920
  585    HB2  GLU  86           HB2      GLU  86   1.144  -0.324  -7.394
  586    HB3  GLU  86           HB1      GLU  86  -0.461  -1.006  -7.246
  587    HG2  GLU  86           HG2      GLU  86   1.730  -2.468  -7.128
  588    HG3  GLU  86           HG1      GLU  86   0.240  -3.102  -7.794
  589    H    LEU  87           HN       LEU  87  -0.682  -2.726  -9.282
  590    HA   LEU  87           HA       LEU  87  -2.338  -3.160 -11.288
  591    HB2  LEU  87           HB2      LEU  87  -3.601  -4.684  -9.503
  592    HB3  LEU  87           HB1      LEU  87  -2.023  -5.070 -10.153
  593    HG   LEU  87           HG       LEU  87  -1.021  -3.961  -8.116
  594   HD11  LEU  87          HD11      LEU  87  -2.427  -3.726  -6.140
  595   HD12  LEU  87          HD12      LEU  87  -3.854  -4.096  -7.108
  596   HD13  LEU  87          HD13      LEU  87  -2.929  -2.628  -7.424
  597   HD21  LEU  87          HD21      LEU  87  -2.775  -6.377  -7.723
  598   HD22  LEU  87          HD22      LEU  87  -1.466  -5.885  -6.648
  599   HD23  LEU  87          HD23      LEU  87  -1.110  -6.361  -8.309
  600    HA   PRO  88           HA       PRO  88  -5.770  -0.437 -10.769
  601    HB2  PRO  88           HB2      PRO  88  -6.899  -1.669 -13.138
  602    HB3  PRO  88           HB1      PRO  88  -6.203  -0.058 -12.952
  603    HG2  PRO  88           HG2      PRO  88  -5.039  -2.045 -14.419
  604    HG3  PRO  88           HG1      PRO  88  -4.128  -0.737 -13.643
  605    HD2  PRO  88           HD2      PRO  88  -4.533  -3.562 -12.748
  606    HD3  PRO  88           HD1      PRO  88  -3.074  -2.551 -12.667
  607    H    THR  89           HN       THR  89  -6.900  -1.150  -9.050
  608    HA   THR  89           HA       THR  89  -8.592  -2.082  -7.881
  609    HB   THR  89           HB       THR  89  -9.808  -2.777 -10.561
  610    HG1  THR  89           HG1      THR  89  -9.212  -0.361  -9.407
  611   HG21  THR  89          HG21      THR  89 -11.935  -2.452  -9.391
  612   HG22  THR  89          HG22      THR  89 -11.070  -2.081  -7.899
  613   HG23  THR  89          HG23      THR  89 -10.978  -3.700  -8.593
  614    H    THR  90           HN       THR  90  -6.654  -3.674  -7.607
  615    HA   THR  90           HA       THR  90  -7.634  -6.377  -8.223
  616    HB   THR  90           HB       THR  90  -4.880  -5.503  -7.315
  617    HG1  THR  90           HG1      THR  90  -6.062  -5.687  -9.770
  618   HG21  THR  90          HG21      THR  90  -4.210  -7.810  -7.802
  619   HG22  THR  90          HG22      THR  90  -5.885  -8.220  -8.173
  620   HG23  THR  90          HG23      THR  90  -5.433  -7.755  -6.533
  621    H    VAL  91           HN       VAL  91  -8.535  -7.487  -6.605
  622    HA   VAL  91           HA       VAL  91  -8.746  -6.246  -4.020
  623    HB   VAL  91           HB       VAL  91 -10.175  -8.279  -3.490
  624   HG11  VAL  91          HG11      VAL  91 -10.894  -6.558  -5.863
  625   HG12  VAL  91          HG12      VAL  91 -11.152  -6.161  -4.164
  626   HG13  VAL  91          HG13      VAL  91 -12.041  -7.493  -4.904
  627   HG21  VAL  91          HG21      VAL  91  -9.225  -9.836  -5.104
  628   HG22  VAL  91          HG22      VAL  91  -9.744  -8.800  -6.434
  629   HG23  VAL  91          HG23      VAL  91 -10.945  -9.603  -5.421
  630    HN1  NH2  92           HN1      NH2  92  -6.300  -6.489  -3.667
  Start of MODEL    2
    1    H1   GLY   5           HN       GLY   5  14.992   2.043  -7.583
    2    HA2  GLY   5           HA2      GLY   5  17.100   1.078  -5.745
    3    HA3  GLY   5           HA1      GLY   5  15.963   2.330  -5.263
    4    H    SER   6           HN       SER   6  14.795  -0.132  -7.314
    5    HA   SER   6           HA       SER   6  12.716  -0.868  -5.620
    6    HB2  SER   6           HB2      SER   6  13.877  -2.439  -7.933
    7    HB3  SER   6           HB1      SER   6  12.260  -2.628  -7.252
    8    HG   SER   6           HG       SER   6  12.385  -1.277  -9.169
    9    H    ALA   7           HN       ALA   7  12.388  -2.463  -4.193
   10    HA   ALA   7           HA       ALA   7  12.744  -4.149  -2.726
   11    HB1  ALA   7           HB1      ALA   7  13.113  -5.508  -4.721
   12    HB2  ALA   7           HB2      ALA   7  14.138  -6.035  -3.386
   13    HB3  ALA   7           HB3      ALA   7  14.824  -5.080  -4.701
   14    H    THR   8           HN       THR   8  14.433  -1.625  -2.712
   15    HA   THR   8           HA       THR   8  16.095  -2.522  -0.498
   16    HB   THR   8           HB       THR   8  17.244  -0.836  -2.736
   17    HG1  THR   8           HG1      THR   8  17.138  -3.532  -2.316
   18   HG21  THR   8          HG21      THR   8  18.128  -0.231  -0.534
   19   HG22  THR   8          HG22      THR   8  19.355  -1.048  -1.502
   20   HG23  THR   8          HG23      THR   8  18.516  -1.921  -0.219
   21    H    ALA   9           HN       ALA   9  15.594   0.420  -2.440
   22    HA   ALA   9           HA       ALA   9  14.601   1.748  -0.011
   23    HB1  ALA   9           HB1      ALA   9  16.894   2.505  -0.441
   24    HB2  ALA   9           HB2      ALA   9  15.724   3.809  -0.654
   25    HB3  ALA   9           HB3      ALA   9  16.418   3.007  -2.065
   26    H    LEU  10           HN       LEU  10  12.495   1.551  -0.581
   27    HA   LEU  10           HA       LEU  10  11.665   2.421  -3.238
   28    HB2  LEU  10           HB2      LEU  10  10.116   1.128  -0.992
   29    HB3  LEU  10           HB1      LEU  10   9.419   1.583  -2.530
   30    HG   LEU  10           HG       LEU  10   9.766  -0.695  -2.751
   31   HD11  LEU  10          HD11      LEU  10  10.642   0.423  -4.662
   32   HD12  LEU  10          HD12      LEU  10  11.693  -0.946  -4.295
   33   HD13  LEU  10          HD13      LEU  10  12.191   0.691  -3.864
   34   HD21  LEU  10          HD21      LEU  10  11.806  -1.869  -2.063
   35   HD22  LEU  10          HD22      LEU  10  11.035  -1.050  -0.705
   36   HD23  LEU  10          HD23      LEU  10  12.472  -0.353  -1.454
   37    H    GLN  11           HN       GLN  11  11.508   4.607  -3.359
   38    HA   GLN  11           HA       GLN  11  10.209   6.017  -1.156
   39    HB2  GLN  11           HB2      GLN  11  12.165   7.011  -2.479
   40    HB3  GLN  11           HB1      GLN  11  11.026   7.241  -3.797
   41    HG2  GLN  11           HG2      GLN  11   9.603   8.542  -2.176
   42    HG3  GLN  11           HG1      GLN  11  10.989   8.512  -1.087
   43   HE21  GLN  11          HE21      GLN  11  12.867   9.653  -1.653
   44   HE22  GLN  11          HE22      GLN  11  12.829  10.916  -2.840
   45    H    CYS  12           HN       CYS  12   8.134   5.464  -1.101
   46    HA   CYS  12           HA       CYS  12   6.640   5.464  -3.646
   47    HB2  CYS  12           HB2      CYS  12   5.880   4.017  -1.108
   48    HB3  CYS  12           HB1      CYS  12   5.188   3.802  -2.718
   49    H    PHE  13           HN       PHE  13   4.757   6.566  -3.799
   50    HA   PHE  13           HA       PHE  13   4.386   8.901  -2.393
   51    HB2  PHE  13           HB2      PHE  13   3.327   8.716  -4.488
   52    HB3  PHE  13           HB1      PHE  13   2.543   7.203  -4.059
   53    HD1  PHE  13           HD1      PHE  13   2.603  10.768  -2.941
   54    HD2  PHE  13           HD2      PHE  13   0.314   7.249  -3.648
   55    HE1  PHE  13           HE1      PHE  13   0.552  11.995  -2.357
   56    HE2  PHE  13           HE2      PHE  13  -1.746   8.470  -3.059
   57    HZ   PHE  13           HZ       PHE  13  -1.626  10.842  -2.416
   58    H    CYS  14           HN       CYS  14   3.323   9.490  -0.559
   59    HA   CYS  14           HA       CYS  14   2.017   7.376   0.970
   60    HB2  CYS  14           HB2      CYS  14   4.279   7.233   1.708
   61    HB3  CYS  14           HB1      CYS  14   4.405   8.982   1.859
   62    H    HIS  15           HN       HIS  15   0.177   8.077   1.764
   63    HA   HIS  15           HA       HIS  15  -0.368  10.915   1.563
   64    HB2  HIS  15           HB2      HIS  15  -1.907   9.158   0.607
   65    HB3  HIS  15           HB1      HIS  15  -2.315   8.714   2.261
   66    HD1  HIS  15           HD1      HIS  15  -4.542   9.656   2.823
   67    HD2  HIS  15           HD2      HIS  15  -2.277  12.248   0.480
   68    HE1  HIS  15           HE1      HIS  15  -5.954  11.718   2.526
   69    HE2  HIS  15           HE2      HIS  15  -4.535  13.309   1.181
   70    H    LEU  16           HN       LEU  16   0.145   8.555   4.053
   71    HA   LEU  16           HA       LEU  16  -1.027  10.199   6.118
   72    HB2  LEU  16           HB2      LEU  16   0.614   7.677   6.184
   73    HB3  LEU  16           HB1      LEU  16   0.179   8.537   7.648
   74    HG   LEU  16           HG       LEU  16  -2.242   8.247   6.977
   75   HD11  LEU  16          HD11      LEU  16  -2.767   6.465   5.394
   76   HD12  LEU  16          HD12      LEU  16  -1.054   6.305   5.000
   77   HD13  LEU  16          HD13      LEU  16  -1.916   7.794   4.605
   78   HD21  LEU  16          HD21      LEU  16  -0.640   5.739   7.442
   79   HD22  LEU  16          HD22      LEU  16  -2.355   5.964   7.788
   80   HD23  LEU  16          HD23      LEU  16  -1.144   6.880   8.687
   81    H    CYS  17           HN       CYS  17   1.872  10.080   4.439
   82    HA   CYS  17           HA       CYS  17   3.612  11.137   6.420
   83    HB2  CYS  17           HB2      CYS  17   3.762  10.915   3.424
   84    HB3  CYS  17           HB1      CYS  17   5.092  11.447   4.434
   85    H    THR  18           HN       THR  18   2.051  12.482   3.533
   86    HA   THR  18           HA       THR  18   1.721  14.556   2.753
   87    HB   THR  18           HB       THR  18   0.957  16.281   4.374
   88    HG1  THR  18           HG1      THR  18   1.811  14.321   6.199
   89   HG21  THR  18          HG21      THR  18  -0.617  14.748   3.337
   90   HG22  THR  18          HG22      THR  18  -1.095  15.080   5.002
   91   HG23  THR  18          HG23      THR  18  -0.307  13.554   4.598
   92    H    LYS  19           HN       LYS  19   3.307  15.699   5.741
   93    HA   LYS  19           HA       LYS  19   4.860  17.535   4.199
   94    HB2  LYS  19           HB2      LYS  19   5.985  17.897   6.548
   95    HB3  LYS  19           HB1      LYS  19   4.366  18.490   6.221
   96    HG2  LYS  19           HG2      LYS  19   4.476  17.477   8.409
   97    HG3  LYS  19           HG1      LYS  19   3.419  16.543   7.356
   98    HD2  LYS  19           HD2      LYS  19   4.799  15.060   8.696
   99    HD3  LYS  19           HD1      LYS  19   5.233  14.923   6.993
  100    HE2  LYS  19           HE2      LYS  19   7.182  16.325   7.351
  101    HE3  LYS  19           HE1      LYS  19   6.718  16.577   9.034
  102    HZ1  LYS  19           HZ1      LYS  19   7.171  14.351   9.564
  103    HZ2  LYS  19           HZ2      LYS  19   8.479  14.827   8.592
  104    HZ3  LYS  19           HZ3      LYS  19   7.235  13.869   7.937
  105    H    ASP  20           HN       ASP  20   5.329  14.334   4.845
  106    HA   ASP  20           HA       ASP  20   8.198  14.353   4.917
  107    HB2  ASP  20           HB2      ASP  20   6.076  12.261   4.602
  108    HB3  ASP  20           HB1      ASP  20   7.745  11.850   4.243
  109    H    ASN  21           HN       ASN  21   7.943  16.008   3.061
  110    HA   ASN  21           HA       ASN  21   7.817  16.649   0.893
  111    HB2  ASN  21           HB2      ASN  21   9.553  15.641  -0.544
  112    HB3  ASN  21           HB1      ASN  21  10.143  16.060   1.054
  113   HD21  ASN  21          HD21      ASN  21   9.652  13.585  -1.242
  114   HD22  ASN  21          HD22      ASN  21  10.366  12.286  -0.345
  115    H    PHE  22           HN       PHE  22   5.689  15.020   1.590
  116    HA   PHE  22           HA       PHE  22   3.817  14.213   0.656
  117    HB2  PHE  22           HB2      PHE  22   5.195  14.967  -1.922
  118    HB3  PHE  22           HB1      PHE  22   3.514  14.452  -1.812
  119    HD1  PHE  22           HD2      PHE  22   1.916  15.825  -0.445
  120    HD2  PHE  22           HD1      PHE  22   5.810  17.186  -1.480
  121    HE1  PHE  22           HE2      PHE  22   1.235  18.137   0.052
  122    HE2  PHE  22           HE1      PHE  22   5.140  19.502  -0.986
  123    HZ   PHE  22           HZ       PHE  22   2.849  19.978  -0.219
  124    H    THR  23           HN       THR  23   6.248  12.461   1.058
  125    HA   THR  23           HA       THR  23   5.066  10.071   0.038
  126    HB   THR  23           HB       THR  23   6.078  10.779  -2.046
  127    HG1  THR  23           HG1      THR  23   6.210   8.511  -1.454
  128   HG21  THR  23          HG21      THR  23   8.513  11.014  -2.279
  129   HG22  THR  23          HG22      THR  23   8.677  10.870  -0.529
  130   HG23  THR  23          HG23      THR  23   7.814  12.243  -1.226
  131    H    CYS  24           HN       CYS  24   7.198   8.325   0.185
  132    HA   CYS  24           HA       CYS  24   8.752   8.826   2.543
  133    HB2  CYS  24           HB2      CYS  24   6.628   8.398   3.613
  134    HB3  CYS  24           HB1      CYS  24   6.418   6.916   2.689
  135    H    VAL  25           HN       VAL  25  10.404   7.395   2.803
  136    HA   VAL  25           HA       VAL  25  10.762   5.458   0.641
  137    HB   VAL  25           HB       VAL  25  12.778   6.315   2.716
  138   HG11  VAL  25          HG11      VAL  25  14.435   5.419   1.172
  139   HG12  VAL  25          HG12      VAL  25  13.153   4.940   0.060
  140   HG13  VAL  25          HG13      VAL  25  13.278   4.175   1.645
  141   HG21  VAL  25          HG21      VAL  25  12.365   7.375  -0.073
  142   HG22  VAL  25          HG22      VAL  25  13.718   7.776   0.983
  143   HG23  VAL  25          HG23      VAL  25  12.080   8.251   1.430
  144    H    THR  26           HN       THR  26  10.945   3.306   0.966
  145    HA   THR  26           HA       THR  26  10.703   2.269   3.708
  146    HB   THR  26           HB       THR  26   8.551   1.876   3.230
  147    HG1  THR  26           HG1      THR  26   8.291  -0.204   2.442
  148   HG21  THR  26          HG21      THR  26   8.391   3.123   1.204
  149   HG22  THR  26          HG22      THR  26   7.656   1.546   0.909
  150   HG23  THR  26          HG23      THR  26   9.275   1.894   0.308
  151    H    ASP  27           HN       ASP  27  11.413   0.153   4.028
  152    HA   ASP  27           HA       ASP  27  13.557  -0.721   2.295
  153    HB2  ASP  27           HB2      ASP  27  12.454  -1.792   4.895
  154    HB3  ASP  27           HB1      ASP  27  13.804  -2.529   4.044
  155    H    GLY  28           HN       GLY  28  10.225  -1.318   2.516
  156    HA2  GLY  28           HA2      GLY  28  10.515  -4.142   1.732
  157    HA3  GLY  28           HA1      GLY  28   9.082  -3.433   2.456
  158    H    LEU  29           HN       LEU  29   7.918  -1.777   1.109
  159    HA   LEU  29           HA       LEU  29   8.356  -1.709  -1.655
  160    HB2  LEU  29           HB2      LEU  29   6.351  -3.024  -2.383
  161    HB3  LEU  29           HB1      LEU  29   7.706  -3.967  -1.804
  162    HG   LEU  29           HG       LEU  29   6.418  -4.060   0.440
  163   HD11  LEU  29          HD11      LEU  29   3.983  -3.923   0.202
  164   HD12  LEU  29          HD12      LEU  29   4.183  -3.298  -1.434
  165   HD13  LEU  29          HD13      LEU  29   4.758  -2.361  -0.055
  166   HD21  LEU  29          HD21      LEU  29   6.767  -5.979  -1.019
  167   HD22  LEU  29          HD22      LEU  29   5.386  -5.496  -2.003
  168   HD23  LEU  29          HD23      LEU  29   5.143  -6.002  -0.332
  169    H    CYS  30           HN       CYS  30   6.179  -1.041  -2.817
  170    HA   CYS  30           HA       CYS  30   5.198   1.286  -1.353
  171    HB2  CYS  30           HB2      CYS  30   4.550   0.367  -4.166
  172    HB3  CYS  30           HB1      CYS  30   4.213   1.949  -3.476
  173    H    PHE  31           HN       PHE  31   3.182   1.411  -0.461
  174    HA   PHE  31           HA       PHE  31   1.309  -0.762  -1.075
  175    HB2  PHE  31           HB2      PHE  31   2.215  -1.411   1.003
  176    HB3  PHE  31           HB1      PHE  31   2.213   0.238   1.611
  177    HD1  PHE  31           HD1      PHE  31  -0.047  -2.515   0.570
  178    HD2  PHE  31           HD2      PHE  31   0.442   1.009   2.905
  179    HE1  PHE  31           HE1      PHE  31  -2.223  -2.921   1.636
  180    HE2  PHE  31           HE2      PHE  31  -1.738   0.609   3.976
  181    HZ   PHE  31           HZ       PHE  31  -3.074  -1.361   3.340
  182    H    VAL  32           HN       VAL  32  -0.800  -0.224  -1.175
  183    HA   VAL  32           HA       VAL  32  -1.584   2.551  -0.642
  184    HB   VAL  32           HB       VAL  32  -2.184   1.089  -3.219
  185   HG11  VAL  32          HG11      VAL  32  -3.245   3.152  -3.946
  186   HG12  VAL  32          HG12      VAL  32  -2.903   3.887  -2.380
  187   HG13  VAL  32          HG13      VAL  32  -4.018   2.526  -2.490
  188   HG21  VAL  32          HG21      VAL  32  -0.814   2.756  -4.333
  189   HG22  VAL  32          HG22      VAL  32   0.135   1.881  -3.129
  190   HG23  VAL  32          HG23      VAL  32  -0.446   3.510  -2.781
  191    H    SER  33           HN       SER  33  -3.500   2.633   0.397
  192    HA   SER  33           HA       SER  33  -5.189   0.207   0.402
  193    HB2  SER  33           HB2      SER  33  -6.042   1.137   2.594
  194    HB3  SER  33           HB1      SER  33  -4.364   0.594   2.615
  195    HG   SER  33           HG       SER  33  -5.036   2.807   3.524
  196    H    VAL  34           HN       VAL  34  -6.642   0.483  -1.059
  197    HA   VAL  34           HA       VAL  34  -8.078   3.037  -1.217
  198    HB   VAL  34           HB       VAL  34  -8.039   0.678  -3.118
  199   HG11  VAL  34          HG11      VAL  34 -10.169   1.845  -3.210
  200   HG12  VAL  34          HG12      VAL  34  -9.233   2.141  -4.675
  201   HG13  VAL  34          HG13      VAL  34  -9.334   3.383  -3.426
  202   HG21  VAL  34          HG21      VAL  34  -6.768   3.396  -3.340
  203   HG22  VAL  34          HG22      VAL  34  -6.756   2.142  -4.581
  204   HG23  VAL  34          HG23      VAL  34  -5.928   1.873  -3.047
  205    H    THR  35           HN       THR  35  -9.650   2.928   0.326
  206    HA   THR  35           HA       THR  35 -11.341   0.523   0.338
  207    HB   THR  35           HB       THR  35 -10.873   2.459   2.615
  208    HG1  THR  35           HG1      THR  35  -9.106   0.935   1.941
  209   HG21  THR  35          HG21      THR  35 -13.076   1.399   2.686
  210   HG22  THR  35          HG22      THR  35 -12.042   0.786   3.976
  211   HG23  THR  35          HG23      THR  35 -12.329  -0.190   2.534
  212    H    GLU  36           HN       GLU  36 -12.930   1.221  -1.114
  213    HA   GLU  36           HA       GLU  36 -14.061   3.891  -0.629
  214    HB2  GLU  36           HB2      GLU  36 -14.327   2.039  -3.012
  215    HB3  GLU  36           HB1      GLU  36 -15.102   3.616  -2.876
  216    HG2  GLU  36           HG2      GLU  36 -12.968   4.717  -2.814
  217    HG3  GLU  36           HG1      GLU  36 -12.127   3.171  -2.752
  218    H    THR  37           HN       THR  37 -15.506   3.865   0.818
  219    HA   THR  37           HA       THR  37 -17.348   1.625   1.087
  220    HB   THR  37           HB       THR  37 -18.030   2.797   3.183
  221    HG1  THR  37           HG1      THR  37 -16.204   4.530   3.616
  222   HG21  THR  37          HG21      THR  37 -15.045   2.437   2.908
  223   HG22  THR  37          HG22      THR  37 -16.207   1.166   3.286
  224   HG23  THR  37          HG23      THR  37 -15.940   2.486   4.425
  225    H    THR  38           HN       THR  38 -19.657   2.595   1.862
  226    HA   THR  38           HA       THR  38 -20.618   4.323  -0.245
  227    HB   THR  38           HB       THR  38 -22.184   3.440   2.147
  228    HG1  THR  38           HG1      THR  38 -21.665   1.966  -0.248
  229   HG21  THR  38          HG21      THR  38 -22.957   4.011  -0.714
  230   HG22  THR  38          HG22      THR  38 -23.280   5.045   0.679
  231   HG23  THR  38          HG23      THR  38 -24.062   3.469   0.551
  232    H    ASP  39           HN       ASP  39 -19.077   4.650   2.622
  233    HA   ASP  39           HA       ASP  39 -20.267   7.054   3.642
  234    HB2  ASP  39           HB2      ASP  39 -18.992   5.397   5.028
  235    HB3  ASP  39           HB1      ASP  39 -17.529   5.878   4.158
  236    H    LYS  40           HN       LYS  40 -17.234   6.219   2.050
  237    HA   LYS  40           HA       LYS  40 -17.085   8.632   0.547
  238    HB2  LYS  40           HB2      LYS  40 -15.143   9.612   1.668
  239    HB3  LYS  40           HB1      LYS  40 -16.495   9.512   2.791
  240    HG2  LYS  40           HG2      LYS  40 -15.215   7.126   3.195
  241    HG3  LYS  40           HG1      LYS  40 -13.876   8.230   2.886
  242    HD2  LYS  40           HD2      LYS  40 -14.478   9.625   4.686
  243    HD3  LYS  40           HD1      LYS  40 -16.069   8.875   4.833
  244    HE2  LYS  40           HE2      LYS  40 -14.889   6.736   5.416
  245    HE3  LYS  40           HE1      LYS  40 -13.397   7.674   5.525
  246    HZ1  LYS  40           HZ1      LYS  40 -15.855   8.127   7.127
  247    HZ2  LYS  40           HZ2      LYS  40 -14.426   9.033   7.242
  248    HZ3  LYS  40           HZ3      LYS  40 -14.434   7.398   7.691
  249    H    VAL  41           HN       VAL  41 -14.933   8.760  -0.560
  250    HA   VAL  41           HA       VAL  41 -13.943   6.083  -1.151
  251    HB   VAL  41           HB       VAL  41 -13.398   8.780  -2.418
  252   HG11  VAL  41          HG11      VAL  41 -12.320   6.072  -3.180
  253   HG12  VAL  41          HG12      VAL  41 -11.387   7.433  -2.556
  254   HG13  VAL  41          HG13      VAL  41 -12.161   7.545  -4.138
  255   HG21  VAL  41          HG21      VAL  41 -14.841   6.327  -3.403
  256   HG22  VAL  41          HG22      VAL  41 -14.553   7.793  -4.341
  257   HG23  VAL  41          HG23      VAL  41 -15.586   7.849  -2.911
  258    H    ILE  42           HN       ILE  42 -12.456   5.338   0.232
  259    HA   ILE  42           HA       ILE  42 -10.780   7.266   1.656
  260    HB   ILE  42           HB       ILE  42 -11.068   4.300   2.203
  261   HG12  ILE  42          HG12      ILE  42 -12.483   6.447   3.774
  262   HG13  ILE  42          HG11      ILE  42 -13.228   5.749   2.340
  263   HG21  ILE  42          HG21      ILE  42  -9.080   5.360   3.147
  264   HG22  ILE  42          HG22      ILE  42 -10.208   4.872   4.411
  265   HG23  ILE  42          HG23      ILE  42 -10.096   6.567   3.938
  266   HD11  ILE  42          HD11      ILE  42 -14.033   4.672   4.363
  267   HD12  ILE  42          HD12      ILE  42 -12.382   4.236   4.808
  268   HD13  ILE  42          HD13      ILE  42 -13.125   3.527   3.371
  269    H    HIS  43           HN       HIS  43  -9.231   7.722   0.137
  270    HA   HIS  43           HA       HIS  43  -7.684   5.458  -0.934
  271    HB2  HIS  43           HB2      HIS  43  -8.034   8.295  -1.878
  272    HB3  HIS  43           HB1      HIS  43  -6.674   7.319  -2.409
  273    HD1  HIS  43           HD1      HIS  43  -8.202   8.128  -4.678
  274    HD2  HIS  43           HD2      HIS  43  -9.475   4.899  -2.384
  275    HE1  HIS  43           HE1      HIS  43  -9.667   6.753  -6.192
  276    HE2  HIS  43           HE2      HIS  43 -10.538   4.876  -4.749
  277    H    ASN  44           HN       ASN  44  -5.958   4.996   0.279
  278    HA   ASN  44           HA       ASN  44  -4.240   7.240   1.007
  279    HB2  ASN  44           HB2      ASN  44  -4.984   4.995   2.890
  280    HB3  ASN  44           HB1      ASN  44  -3.649   6.112   3.166
  281   HD21  ASN  44          HD21      ASN  44  -7.067   5.675   3.193
  282   HD22  ASN  44          HD22      ASN  44  -7.475   7.200   3.899
  283    H    SER  45           HN       SER  45  -2.115   6.017   2.037
  284    HA   SER  45           HA       SER  45  -1.146   3.791   0.694
  285    HB2  SER  45           HB2      SER  45  -1.507   5.095  -1.372
  286    HB3  SER  45           HB1      SER  45  -0.534   6.405  -0.719
  287    HG   SER  45           HG       SER  45   0.513   3.797  -0.968
  288    H    MET  46           HN       MET  46   0.779   3.257   1.481
  289    HA   MET  46           HA       MET  46   2.161   5.274   3.097
  290    HB2  MET  46           HB2      MET  46   1.391   2.491   4.009
  291    HB3  MET  46           HB1      MET  46   2.411   3.603   4.910
  292    HG2  MET  46           HG2      MET  46   0.564   5.140   5.165
  293    HG3  MET  46           HG1      MET  46  -0.462   4.112   4.169
  294    HE1  MET  46           HE1      MET  46   1.438   4.482   7.575
  295    HE2  MET  46           HE2      MET  46   2.139   2.998   6.931
  296    HE3  MET  46           HE3      MET  46   1.101   2.935   8.354
  297    H    CYS  47           HN       CYS  47   4.309   4.702   3.601
  298    HA   CYS  47           HA       CYS  47   5.646   3.081   1.619
  299    HB2  CYS  47           HB2      CYS  47   7.707   3.726   2.900
  300    HB3  CYS  47           HB1      CYS  47   6.782   5.091   2.280
  301    H    ILE  48           HN       ILE  48   4.959   0.966   2.026
  302    HA   ILE  48           HA       ILE  48   4.920  -0.010   4.723
  303    HB   ILE  48           HB       ILE  48   3.796  -0.880   2.237
  304   HG12  ILE  48          HG12      ILE  48   2.667  -0.595   4.411
  305   HG13  ILE  48          HG11      ILE  48   2.346  -2.169   3.686
  306   HG21  ILE  48          HG21      ILE  48   4.123  -3.280   2.344
  307   HG22  ILE  48          HG22      ILE  48   5.259  -3.086   3.678
  308   HG23  ILE  48          HG23      ILE  48   5.668  -2.469   2.077
  309   HD11  ILE  48          HD11      ILE  48   4.117  -3.128   5.133
  310   HD12  ILE  48          HD12      ILE  48   2.737  -2.466   6.018
  311   HD13  ILE  48          HD13      ILE  48   4.246  -1.559   5.927
  312    H    ALA  49           HN       ALA  49   6.726  -0.350   5.727
  313    HA   ALA  49           HA       ALA  49   9.153  -0.951   4.340
  314    HB1  ALA  49           HB1      ALA  49   8.597  -0.919   7.313
  315    HB2  ALA  49           HB2      ALA  49   9.141   0.459   6.357
  316    HB3  ALA  49           HB3      ALA  49  10.185  -0.949   6.548
  317    H    GLU  50           HN       GLU  50  10.484  -2.813   4.990
  318    HA   GLU  50           HA       GLU  50   9.050  -5.154   4.341
  319    HB2  GLU  50           HB2      GLU  50  11.401  -4.785   3.745
  320    HB3  GLU  50           HB1      GLU  50  11.837  -4.895   5.447
  321    HG2  GLU  50           HG2      GLU  50  11.095  -7.172   5.541
  322    HG3  GLU  50           HG1      GLU  50  10.505  -7.080   3.883
  323    H    ILE  51           HN       ILE  51  10.253  -3.862   7.377
  324    HA   ILE  51           HA       ILE  51   9.764  -6.029   9.060
  325    HB   ILE  51           HB       ILE  51   9.416  -4.398  10.875
  326   HG12  ILE  51          HG12      ILE  51   9.876  -2.099   9.049
  327   HG13  ILE  51          HG11      ILE  51   8.262  -2.802   9.044
  328   HG21  ILE  51          HG21      ILE  51  11.682  -4.963  10.178
  329   HG22  ILE  51          HG22      ILE  51  11.584  -3.290  10.726
  330   HG23  ILE  51          HG23      ILE  51  11.652  -3.650   9.001
  331   HD11  ILE  51          HD11      ILE  51   8.416  -0.935  10.580
  332   HD12  ILE  51          HD12      ILE  51   9.711  -1.749  11.457
  333   HD13  ILE  51          HD13      ILE  51   8.087  -2.442  11.440
  334    H    ASP  52           HN       ASP  52   7.544  -3.801   7.555
  335    HA   ASP  52           HA       ASP  52   5.321  -4.858   9.132
  336    HB2  ASP  52           HB2      ASP  52   5.700  -2.388   7.495
  337    HB3  ASP  52           HB1      ASP  52   4.073  -3.007   7.747
  338    H    LEU  53           HN       LEU  53   6.878  -5.972   6.640
  339    HA   LEU  53           HA       LEU  53   4.597  -6.672   4.996
  340    HB2  LEU  53           HB2      LEU  53   7.312  -7.999   5.126
  341    HB3  LEU  53           HB1      LEU  53   6.090  -8.271   3.906
  342    HG   LEU  53           HG       LEU  53   7.628  -5.704   4.320
  343   HD11  LEU  53          HD11      LEU  53   8.602  -6.286   2.116
  344   HD12  LEU  53          HD12      LEU  53   7.801  -7.855   2.214
  345   HD13  LEU  53          HD13      LEU  53   9.036  -7.418   3.395
  346   HD21  LEU  53          HD21      LEU  53   5.738  -6.428   2.095
  347   HD22  LEU  53          HD22      LEU  53   6.542  -4.882   2.365
  348   HD23  LEU  53          HD23      LEU  53   5.290  -5.434   3.478
  349    H    ILE  54           HN       ILE  54   3.075  -7.753   6.113
  350    HA   ILE  54           HA       ILE  54   3.975  -9.922   7.898
  351    HB   ILE  54           HB       ILE  54   1.407  -8.580   8.526
  352   HG12  ILE  54          HG12      ILE  54   4.044  -7.272   9.284
  353   HG13  ILE  54          HG11      ILE  54   2.949  -6.656   8.039
  354   HG21  ILE  54          HG21      ILE  54   2.194  -8.990  10.826
  355   HG22  ILE  54          HG22      ILE  54   3.707  -9.616  10.173
  356   HG23  ILE  54          HG23      ILE  54   2.190 -10.449   9.834
  357   HD11  ILE  54          HD11      ILE  54   2.310  -6.976  10.964
  358   HD12  ILE  54          HD12      ILE  54   1.203  -6.383   9.725
  359   HD13  ILE  54          HD13      ILE  54   2.657  -5.465  10.125
  360    HA   PRO  55           HA       PRO  55   4.242 -11.778   7.652
  361    HB2  PRO  55           HB2      PRO  55   4.166 -13.868   5.651
  362    HB3  PRO  55           HB1      PRO  55   4.055 -14.014   7.404
  363    HG2  PRO  55           HG2      PRO  55   1.980 -14.524   5.699
  364    HG3  PRO  55           HG1      PRO  55   1.775 -14.020   7.384
  365    HD2  PRO  55           HD2      PRO  55   1.555 -12.405   4.879
  366    HD3  PRO  55           HD1      PRO  55   0.586 -12.322   6.368
  367    H    ARG  56           HN       ARG  56   6.354 -12.338   6.538
  368    HA   ARG  56           HA       ARG  56   6.981 -10.090   4.951
  369    HB2  ARG  56           HB2      ARG  56   8.506 -11.148   6.601
  370    HB3  ARG  56           HB1      ARG  56   8.698 -12.509   5.507
  371    HG2  ARG  56           HG2      ARG  56   9.656 -11.003   3.826
  372    HG3  ARG  56           HG1      ARG  56   9.504  -9.660   4.963
  373    HD2  ARG  56           HD2      ARG  56  10.968 -10.861   6.537
  374    HD3  ARG  56           HD1      ARG  56  11.149 -12.158   5.355
  375    HE   ARG  56           HE       ARG  56  11.874  -9.539   4.378
  376   HH11  ARG  56          HH11      ARG  56  13.020 -12.431   6.000
  377   HH12  ARG  56          HH12      ARG  56  14.681 -12.158   5.564
  378   HH21  ARG  56          HH21      ARG  56  14.038  -9.175   3.831
  379   HH22  ARG  56          HH22      ARG  56  15.264 -10.312   4.333
  380    H    ASP  57           HN       ASP  57   6.082 -13.320   4.063
  381    HA   ASP  57           HA       ASP  57   7.409 -13.221   1.496
  382    HB2  ASP  57           HB2      ASP  57   5.425 -15.207   2.630
  383    HB3  ASP  57           HB1      ASP  57   6.217 -15.370   1.067
  384    H    ARG  58           HN       ARG  58   4.289 -12.638   2.860
  385    HA   ARG  58           HA       ARG  58   3.437 -11.203   0.533
  386    HB2  ARG  58           HB2      ARG  58   2.885 -13.569  -0.071
  387    HB3  ARG  58           HB1      ARG  58   1.842 -13.641   1.347
  388    HG2  ARG  58           HG2      ARG  58   0.317 -13.129  -0.250
  389    HG3  ARG  58           HG1      ARG  58   0.775 -11.513   0.284
  390    HD2  ARG  58           HD2      ARG  58   1.659 -12.972  -2.198
  391    HD3  ARG  58           HD1      ARG  58   0.750 -11.468  -2.091
  392    HE   ARG  58           HE       ARG  58   3.557 -11.667  -1.199
  393   HH11  ARG  58          HH11      ARG  58   1.030 -10.081  -3.030
  394   HH12  ARG  58          HH12      ARG  58   2.057  -8.806  -3.595
  395   HH21  ARG  58          HH21      ARG  58   4.919  -9.985  -1.952
  396   HH22  ARG  58          HH22      ARG  58   4.275  -8.753  -2.997
  397    HA   PRO  59           HA       PRO  59   2.082  -9.419   4.535
  398    HB2  PRO  59           HB2      PRO  59   1.526  -7.009   3.187
  399    HB3  PRO  59           HB1      PRO  59   2.941  -7.371   4.179
  400    HG2  PRO  59           HG2      PRO  59   2.658  -7.363   1.244
  401    HG3  PRO  59           HG1      PRO  59   4.093  -7.108   2.233
  402    HD2  PRO  59           HD2      PRO  59   3.648  -9.376   0.818
  403    HD3  PRO  59           HD1      PRO  59   4.579  -9.346   2.329
  404    H    PHE  60           HN       PHE  60   0.096 -10.073   5.081
  405    HA   PHE  60           HA       PHE  60  -2.173  -9.882   3.393
  406    HB2  PHE  60           HB2      PHE  60  -3.509 -10.305   5.413
  407    HB3  PHE  60           HB1      PHE  60  -2.183 -11.443   5.252
  408    HD1  PHE  60           HD1      PHE  60  -2.290  -7.972   6.642
  409    HD2  PHE  60           HD2      PHE  60  -1.619 -12.121   7.374
  410    HE1  PHE  60           HE1      PHE  60  -1.611  -7.464   8.963
  411    HE2  PHE  60           HE2      PHE  60  -0.929 -11.613   9.680
  412    HZ   PHE  60           HZ       PHE  60  -0.924  -9.281  10.476
  413    H    VAL  61           HN       VAL  61  -0.402  -7.562   5.095
  414    HA   VAL  61           HA       VAL  61  -2.324  -5.591   5.569
  415    HB   VAL  61           HB       VAL  61   0.447  -5.109   4.445
  416   HG11  VAL  61          HG11      VAL  61   0.305  -2.983   5.660
  417   HG12  VAL  61          HG12      VAL  61  -1.337  -3.385   6.159
  418   HG13  VAL  61          HG13      VAL  61  -0.972  -3.134   4.452
  419   HG21  VAL  61          HG21      VAL  61  -0.387  -5.487   7.318
  420   HG22  VAL  61          HG22      VAL  61   1.208  -4.966   6.779
  421   HG23  VAL  61          HG23      VAL  61   0.623  -6.578   6.368
  422    H    CYS  62           HN       CYS  62  -0.756  -6.751   2.704
  423    HA   CYS  62           HA       CYS  62  -2.147  -4.881   1.020
  424    HB2  CYS  62           HB2      CYS  62   0.198  -5.421   0.528
  425    HB3  CYS  62           HB1      CYS  62  -0.227  -7.114   0.318
  426    H    ALA  63           HN       ALA  63  -3.333  -7.257   2.596
  427    HA   ALA  63           HA       ALA  63  -5.484  -7.735   0.802
  428    HB1  ALA  63           HB1      ALA  63  -3.879  -9.334  -0.178
  429    HB2  ALA  63           HB2      ALA  63  -5.287 -10.136   0.518
  430    HB3  ALA  63           HB3      ALA  63  -3.751 -10.138   1.391
  431    HA   PRO  64           HA       PRO  64  -5.984  -8.433   5.367
  432    HB2  PRO  64           HB2      PRO  64  -7.002  -6.067   6.118
  433    HB3  PRO  64           HB1      PRO  64  -5.274  -6.285   5.824
  434    HG2  PRO  64           HG2      PRO  64  -7.295  -4.872   4.199
  435    HG3  PRO  64           HG1      PRO  64  -5.542  -4.634   4.273
  436    HD2  PRO  64           HD2      PRO  64  -7.051  -6.100   2.324
  437    HD3  PRO  64           HD1      PRO  64  -5.293  -5.874   2.404
  438    H    SER  65           HN       SER  65  -7.830  -9.210   3.267
  439    HA   SER  65           HA       SER  65  -9.993  -9.742   2.855
  440    HB2  SER  65           HB2      SER  65 -10.444  -9.047   5.770
  441    HB3  SER  65           HB1      SER  65 -11.512 -10.008   4.748
  442    HG   SER  65           HG       SER  65  -9.053 -11.049   4.621
  443    H    SER  66           HN       SER  66 -11.051  -8.442   1.521
  444    HA   SER  66           HA       SER  66 -11.040  -5.617   1.905
  445    HB2  SER  66           HB2      SER  66 -12.410  -5.681  -0.248
  446    HB3  SER  66           HB1      SER  66 -10.798  -6.400  -0.310
  447    HG   SER  66           HG       SER  66 -13.321  -7.679  -0.235
  448    H    LYS  67           HN       LYS  67 -12.887  -7.782   3.409
  449    HA   LYS  67           HA       LYS  67 -15.403  -6.313   3.283
  450    HB2  LYS  67           HB2      LYS  67 -16.274  -8.125   4.695
  451    HB3  LYS  67           HB1      LYS  67 -15.511  -8.752   3.240
  452    HG2  LYS  67           HG2      LYS  67 -13.492  -9.266   4.538
  453    HG3  LYS  67           HG1      LYS  67 -14.292  -8.668   5.992
  454    HD2  LYS  67           HD2      LYS  67 -16.021 -10.392   5.726
  455    HD3  LYS  67           HD1      LYS  67 -15.173 -11.007   4.303
  456    HE2  LYS  67           HE2      LYS  67 -13.184 -11.416   5.731
  457    HE3  LYS  67           HE1      LYS  67 -14.126 -10.910   7.132
  458    HZ1  LYS  67           HZ1      LYS  67 -14.075 -13.313   6.912
  459    HZ2  LYS  67           HZ2      LYS  67 -14.753 -13.209   5.363
  460    HZ3  LYS  67           HZ3      LYS  67 -15.658 -12.730   6.717
  461    H    THR  68           HN       THR  68 -12.539  -6.175   4.995
  462    HA   THR  68           HA       THR  68 -13.414  -5.699   7.632
  463    HB   THR  68           HB       THR  68 -10.953  -4.586   6.266
  464    HG1  THR  68           HG1      THR  68 -10.208  -6.568   6.366
  465   HG21  THR  68          HG21      THR  68 -11.544  -5.088   9.190
  466   HG22  THR  68          HG22      THR  68 -11.440  -3.506   8.414
  467   HG23  THR  68          HG23      THR  68 -10.007  -4.528   8.529
  468    H    GLY  69           HN       GLY  69 -12.639  -3.445   4.993
  469    HA2  GLY  69           HA2      GLY  69 -14.184  -1.370   6.403
  470    HA3  GLY  69           HA1      GLY  69 -13.049  -1.077   5.085
  471    H    SER  70           HN       SER  70 -13.808  -0.976   3.062
  472    HA   SER  70           HA       SER  70 -15.943  -2.650   2.229
  473    HB2  SER  70           HB2      SER  70 -17.243  -0.769   3.164
  474    HB3  SER  70           HB1      SER  70 -16.408   0.330   2.070
  475    HG   SER  70           HG       SER  70 -17.422  -0.583   0.353
  476    H    VAL  71           HN       VAL  71 -15.392  -3.364   0.342
  477    HA   VAL  71           HA       VAL  71 -14.056  -3.727  -1.478
  478    HB   VAL  71           HB       VAL  71 -14.640  -0.856  -2.176
  479   HG11  VAL  71          HG11      VAL  71 -14.220  -3.323  -3.851
  480   HG12  VAL  71          HG12      VAL  71 -13.116  -1.959  -3.683
  481   HG13  VAL  71          HG13      VAL  71 -14.675  -1.739  -4.479
  482   HG21  VAL  71          HG21      VAL  71 -16.727  -1.893  -1.435
  483   HG22  VAL  71          HG22      VAL  71 -16.460  -3.236  -2.549
  484   HG23  VAL  71          HG23      VAL  71 -16.740  -1.610  -3.174
  485    H    THR  72           HN       THR  72 -12.212  -3.829  -0.035
  486    HA   THR  72           HA       THR  72 -10.413  -1.525  -0.093
  487    HB   THR  72           HB       THR  72 -10.154  -4.173   1.358
  488    HG1  THR  72           HG1      THR  72 -10.689  -1.598   2.448
  489   HG21  THR  72          HG21      THR  72  -8.503  -1.646   1.579
  490   HG22  THR  72          HG22      THR  72  -7.969  -3.172   0.869
  491   HG23  THR  72          HG23      THR  72  -8.332  -3.081   2.593
  492    H    THR  73           HN       THR  73  -9.509  -1.409  -2.034
  493    HA   THR  73           HA       THR  73  -8.360  -3.843  -3.209
  494    HB   THR  73           HB       THR  73  -8.007  -2.430  -5.254
  495    HG1  THR  73           HG1      THR  73  -8.154  -0.396  -4.041
  496   HG21  THR  73          HG21      THR  73  -9.957  -3.900  -5.075
  497   HG22  THR  73          HG22      THR  73 -10.353  -2.429  -5.964
  498   HG23  THR  73          HG23      THR  73 -10.863  -2.608  -4.284
  499    H    THR  74           HN       THR  74  -6.490  -4.130  -2.161
  500    HA   THR  74           HA       THR  74  -4.851  -1.845  -1.445
  501    HB   THR  74           HB       THR  74  -3.458  -3.939  -0.505
  502    HG1  THR  74           HG1      THR  74  -4.648  -5.661  -1.012
  503   HG21  THR  74          HG21      THR  74  -4.343  -2.116   0.853
  504   HG22  THR  74          HG22      THR  74  -4.691  -3.670   1.612
  505   HG23  THR  74          HG23      THR  74  -5.962  -2.804   0.748
  506    H    TYR  75           HN       TYR  75  -2.785  -1.509  -2.200
  507    HA   TYR  75           HA       TYR  75  -1.941  -3.206  -4.457
  508    HB2  TYR  75           HB2      TYR  75  -2.765  -1.040  -5.269
  509    HB3  TYR  75           HB1      TYR  75  -1.654  -0.200  -4.192
  510    HD1  TYR  75           HD2      TYR  75  -1.826  -2.438  -7.135
  511    HD2  TYR  75           HD1      TYR  75   0.591   0.208  -4.845
  512    HE1  TYR  75           HE2      TYR  75  -0.116  -2.490  -8.895
  513    HE2  TYR  75           HE1      TYR  75   2.310   0.163  -6.604
  514    HH   TYR  75           HH       TYR  75   3.031  -1.270  -8.455
  515    H    CYS  76           HN       CYS  76   0.112  -3.957  -4.333
  516    HA   CYS  76           HA       CYS  76   2.036  -2.490  -2.705
  517    HB2  CYS  76           HB2      CYS  76   2.896  -4.768  -1.882
  518    HB3  CYS  76           HB1      CYS  76   1.446  -4.119  -1.133
  519    H    CYS  77           HN       CYS  77   3.963  -2.263  -3.651
  520    HA   CYS  77           HA       CYS  77   4.645  -3.991  -5.937
  521    HB2  CYS  77           HB2      CYS  77   3.422  -1.930  -6.736
  522    HB3  CYS  77           HB1      CYS  77   4.742  -0.973  -6.071
  523    H    ASN  78           HN       ASN  78   6.824  -4.316  -6.177
  524    HA   ASN  78           HA       ASN  78   8.415  -3.369  -3.918
  525    HB2  ASN  78           HB2      ASN  78   8.862  -5.596  -5.899
  526    HB3  ASN  78           HB1      ASN  78  10.063  -5.117  -4.700
  527   HD21  ASN  78          HD21      ASN  78   9.643  -5.477  -2.514
  528   HD22  ASN  78          HD22      ASN  78   8.438  -6.602  -1.999
  529    H    GLN  79           HN       GLN  79   7.863  -2.281  -6.940
  530    HA   GLN  79           HA       GLN  79  10.588  -1.569  -7.586
  531    HB2  GLN  79           HB2      GLN  79   8.032  -0.686  -8.918
  532    HB3  GLN  79           HB1      GLN  79   9.661  -0.528  -9.563
  533    HG2  GLN  79           HG2      GLN  79   9.842  -2.991  -9.593
  534    HG3  GLN  79           HG1      GLN  79   8.161  -3.088  -9.066
  535   HE21  GLN  79          HE21      GLN  79  10.308  -2.236 -11.646
  536   HE22  GLN  79          HE22      GLN  79   9.104  -2.181 -12.892
  537    H    ASP  80           HN       ASP  80  11.395   0.555  -7.655
  538    HA   ASP  80           HA       ASP  80  10.566   2.177  -5.482
  539    HB2  ASP  80           HB2      ASP  80  12.315   3.685  -6.085
  540    HB3  ASP  80           HB1      ASP  80  12.915   2.060  -6.393
  541    H    HIS  81           HN       HIS  81   9.332   3.941  -5.371
  542    HA   HIS  81           HA       HIS  81   7.793   5.532  -5.897
  543    HB2  HIS  81           HB2      HIS  81   9.148   5.450  -8.601
  544    HB3  HIS  81           HB1      HIS  81   7.963   6.656  -8.119
  545    HD1  HIS  81           HD1      HIS  81  11.537   5.769  -7.860
  546    HD2  HIS  81           HD2      HIS  81   8.906   8.512  -6.157
  547    HE1  HIS  81           HE1      HIS  81  12.981   7.507  -6.768
  548    HE2  HIS  81           HE2      HIS  81  11.373   9.282  -5.986
  549    H    CYS  82           HN       CYS  82   7.513   2.526  -6.733
  550    HA   CYS  82           HA       CYS  82   5.587   2.689  -8.884
  551    HB2  CYS  82           HB2      CYS  82   7.166   0.833  -8.830
  552    HB3  CYS  82           HB1      CYS  82   6.576   0.344  -7.248
  553    H    ASN  83           HN       ASN  83   4.245   4.146  -7.467
  554    HA   ASN  83           HA       ASN  83   2.511   2.601  -5.688
  555    HB2  ASN  83           HB2      ASN  83   1.663   4.666  -4.874
  556    HB3  ASN  83           HB1      ASN  83   3.403   4.897  -5.013
  557   HD21  ASN  83          HD21      ASN  83   4.205   6.193  -6.729
  558   HD22  ASN  83          HD22      ASN  83   3.191   7.338  -7.538
  559    H    LYS  84           HN       LYS  84   0.094   3.193  -5.990
  560    HA   LYS  84           HA       LYS  84  -0.820   3.706  -8.624
  561    HB2  LYS  84           HB2      LYS  84   0.307   1.294  -8.600
  562    HB3  LYS  84           HB1      LYS  84  -1.245   0.831  -7.916
  563    HG2  LYS  84           HG2      LYS  84  -2.408   1.570  -9.853
  564    HG3  LYS  84           HG1      LYS  84  -0.957   2.335 -10.504
  565    HD2  LYS  84           HD2      LYS  84   0.099   0.065 -10.564
  566    HD3  LYS  84           HD1      LYS  84  -1.479  -0.609 -10.148
  567    HE2  LYS  84           HE2      LYS  84  -2.434   0.403 -12.161
  568    HE3  LYS  84           HE1      LYS  84  -0.854   1.069 -12.573
  569    HZ1  LYS  84           HZ1      LYS  84   0.009  -1.179 -12.751
  570    HZ2  LYS  84           HZ2      LYS  84  -1.303  -0.953 -13.795
  571    HZ3  LYS  84           HZ3      LYS  84  -1.510  -1.818 -12.350
  572    H    ILE  85           HN       ILE  85  -3.129   1.833  -8.329
  573    HA   ILE  85           HA       ILE  85  -4.281   2.859  -5.853
  574    HB   ILE  85           HB       ILE  85  -4.667   4.437  -7.852
  575   HG12  ILE  85          HG12      ILE  85  -7.036   4.886  -7.114
  576   HG13  ILE  85          HG11      ILE  85  -6.933   3.429  -6.128
  577   HG21  ILE  85          HG21      ILE  85  -6.668   2.289  -8.524
  578   HG22  ILE  85          HG22      ILE  85  -5.280   2.778  -9.497
  579   HG23  ILE  85          HG23      ILE  85  -6.617   3.901  -9.240
  580   HD11  ILE  85          HD11      ILE  85  -6.518   5.392  -4.785
  581   HD12  ILE  85          HD12      ILE  85  -5.215   5.888  -5.866
  582   HD13  ILE  85          HD13      ILE  85  -5.051   4.420  -4.903
  583    H    GLU  86           HN       GLU  86  -3.772   0.224  -7.611
  584    HA   GLU  86           HA       GLU  86  -5.664  -1.323  -6.224
  585    HB2  GLU  86           HB2      GLU  86  -7.200  -0.328  -7.898
  586    HB3  GLU  86           HB1      GLU  86  -6.226  -1.045  -9.177
  587    HG2  GLU  86           HG2      GLU  86  -6.714  -3.275  -8.265
  588    HG3  GLU  86           HG1      GLU  86  -7.751  -2.524  -7.051
  589    H    LEU  87           HN       LEU  87  -4.771  -3.285  -5.971
  590    HA   LEU  87           HA       LEU  87  -3.158  -4.337  -8.199
  591    HB2  LEU  87           HB2      LEU  87  -2.025  -4.010  -5.937
  592    HB3  LEU  87           HB1      LEU  87  -3.042  -5.314  -5.353
  593    HG   LEU  87           HG       LEU  87  -2.057  -6.795  -7.107
  594   HD11  LEU  87          HD11      LEU  87  -1.360  -5.122  -8.697
  595   HD12  LEU  87          HD12      LEU  87   0.049  -6.042  -8.163
  596   HD13  LEU  87          HD13      LEU  87  -0.245  -4.422  -7.523
  597   HD21  LEU  87          HD21      LEU  87  -0.067  -5.547  -5.215
  598   HD22  LEU  87          HD22      LEU  87   0.045  -7.148  -5.947
  599   HD23  LEU  87          HD23      LEU  87  -1.239  -6.794  -4.790
  600    HA   PRO  88           HA       PRO  88  -6.696  -7.051  -8.593
  601    HB2  PRO  88           HB2      PRO  88  -5.755  -8.469 -10.711
  602    HB3  PRO  88           HB1      PRO  88  -6.438  -6.847 -10.866
  603    HG2  PRO  88           HG2      PRO  88  -3.569  -7.689 -10.750
  604    HG3  PRO  88           HG1      PRO  88  -4.343  -6.497 -11.812
  605    HD2  PRO  88           HD2      PRO  88  -2.933  -5.785  -9.614
  606    HD3  PRO  88           HD1      PRO  88  -4.336  -4.859 -10.187
  607    H    THR  89           HN       THR  89  -3.461  -7.917  -7.893
  608    HA   THR  89           HA       THR  89  -3.727 -10.741  -7.918
  609    HB   THR  89           HB       THR  89  -1.730  -9.117  -6.337
  610    HG1  THR  89           HG1      THR  89  -1.949  -9.698  -9.090
  611   HG21  THR  89          HG21      THR  89  -1.591 -11.904  -7.498
  612   HG22  THR  89          HG22      THR  89  -1.793 -11.507  -5.791
  613   HG23  THR  89          HG23      THR  89  -0.297 -11.082  -6.625
  614    H    THR  90           HN       THR  90  -3.747  -8.354  -5.269
  615    HA   THR  90           HA       THR  90  -4.899 -10.440  -3.551
  616    HB   THR  90           HB       THR  90  -3.840  -9.013  -1.662
  617    HG1  THR  90           HG1      THR  90  -2.788  -7.344  -2.426
  618   HG21  THR  90          HG21      THR  90  -3.131 -11.287  -2.234
  619   HG22  THR  90          HG22      THR  90  -1.748 -10.274  -1.822
  620   HG23  THR  90          HG23      THR  90  -2.096 -10.648  -3.511
  621    H    VAL  91           HN       VAL  91  -7.014  -9.955  -3.724
  622    HA   VAL  91           HA       VAL  91  -7.982  -7.766  -2.178
  623    HB   VAL  91           HB       VAL  91  -7.649  -6.524  -4.247
  624   HG11  VAL  91          HG11      VAL  91  -7.690  -8.314  -5.864
  625   HG12  VAL  91          HG12      VAL  91  -8.887  -7.096  -6.299
  626   HG13  VAL  91          HG13      VAL  91  -9.400  -8.606  -5.547
  627   HG21  VAL  91          HG21      VAL  91  -9.942  -5.701  -4.600
  628   HG22  VAL  91          HG22      VAL  91  -9.570  -5.921  -2.890
  629   HG23  VAL  91          HG23      VAL  91 -10.565  -7.107  -3.733
  630    HN1  NH2  92           HN1      NH2  91  -9.827  -8.473  -1.187
  Start of MODEL    3
    1    H1   GLY   5           HN       GLY   5  15.097   2.890  -9.135
    2    HA2  GLY   5           HA2      GLY   5  16.033   2.566  -6.396
    3    HA3  GLY   5           HA1      GLY   5  14.665   3.532  -6.931
    4    H    SER   6           HN       SER   6  14.452   0.554  -8.369
    5    HA   SER   6           HA       SER   6  12.247  -0.178  -6.650
    6    HB2  SER   6           HB2      SER   6  13.367  -1.560  -9.103
    7    HB3  SER   6           HB1      SER   6  11.846  -1.956  -8.299
    8    HG   SER   6           HG       SER   6  12.301   0.683  -9.176
    9    H    ALA   7           HN       ALA   7  12.017  -2.238  -5.665
   10    HA   ALA   7           HA       ALA   7  12.610  -4.055  -4.463
   11    HB1  ALA   7           HB1      ALA   7  13.752  -4.869  -6.445
   12    HB2  ALA   7           HB2      ALA   7  14.643  -5.299  -4.985
   13    HB3  ALA   7           HB3      ALA   7  15.200  -3.968  -5.997
   14    H    THR   8           HN       THR   8  15.454  -1.912  -4.730
   15    HA   THR   8           HA       THR   8  15.929  -2.297  -1.855
   16    HB   THR   8           HB       THR   8  17.800  -1.110  -3.915
   17    HG1  THR   8           HG1      THR   8  17.617  -3.251  -4.431
   18   HG21  THR   8          HG21      THR   8  18.247  -0.396  -1.607
   19   HG22  THR   8          HG22      THR   8  19.518  -1.461  -2.206
   20   HG23  THR   8          HG23      THR   8  18.299  -2.083  -1.095
   21    H    ALA   9           HN       ALA   9  14.849  -0.836  -0.733
   22    HA   ALA   9           HA       ALA   9  14.298   1.142   0.229
   23    HB1  ALA   9           HB1      ALA   9  16.684   1.643   0.152
   24    HB2  ALA   9           HB2      ALA   9  15.717   3.097  -0.103
   25    HB3  ALA   9           HB3      ALA   9  16.498   2.308  -1.472
   26    H    LEU  10           HN       LEU  10  12.262   1.076  -0.714
   27    HA   LEU  10           HA       LEU  10  11.831   2.362  -3.275
   28    HB2  LEU  10           HB2      LEU  10   9.966   1.028  -1.319
   29    HB3  LEU  10           HB1      LEU  10   9.401   1.830  -2.765
   30    HG   LEU  10           HG       LEU  10   9.447  -0.473  -3.259
   31   HD11  LEU  10          HD11      LEU  10  11.115  -0.645  -5.038
   32   HD12  LEU  10          HD12      LEU  10  11.928   0.787  -4.404
   33   HD13  LEU  10          HD13      LEU  10  10.289   0.913  -5.045
   34   HD21  LEU  10          HD21      LEU  10  12.275  -0.552  -2.215
   35   HD22  LEU  10          HD22      LEU  10  11.404  -1.900  -2.949
   36   HD23  LEU  10          HD23      LEU  10  10.851  -1.222  -1.417
   37    H    GLN  11           HN       GLN  11  11.139   4.412  -3.557
   38    HA   GLN  11           HA       GLN  11  10.129   5.832  -1.188
   39    HB2  GLN  11           HB2      GLN  11  12.216   6.705  -2.481
   40    HB3  GLN  11           HB1      GLN  11  11.052   7.233  -3.687
   41    HG2  GLN  11           HG2      GLN  11   9.950   8.649  -2.115
   42    HG3  GLN  11           HG1      GLN  11  10.933   8.023  -0.793
   43   HE21  GLN  11          HE21      GLN  11  10.867  10.082  -3.594
   44   HE22  GLN  11          HE22      GLN  11  12.363  10.892  -3.277
   45    H    CYS  12           HN       CYS  12   8.013   5.797  -1.152
   46    HA   CYS  12           HA       CYS  12   6.526   5.976  -3.698
   47    HB2  CYS  12           HB2      CYS  12   5.307   4.700  -1.286
   48    HB3  CYS  12           HB1      CYS  12   5.058   4.325  -2.991
   49    H    PHE  13           HN       PHE  13   5.062   7.624  -3.824
   50    HA   PHE  13           HA       PHE  13   4.912   9.698  -2.014
   51    HB2  PHE  13           HB2      PHE  13   4.053  10.185  -4.129
   52    HB3  PHE  13           HB1      PHE  13   3.064   8.734  -4.175
   53    HD1  PHE  13           HD1      PHE  13   3.281  12.192  -3.010
   54    HD2  PHE  13           HD2      PHE  13   0.877   8.687  -3.158
   55    HE1  PHE  13           HE1      PHE  13   1.319  13.517  -2.346
   56    HE2  PHE  13           HE2      PHE  13  -1.090  10.003  -2.488
   57    HZ   PHE  13           HZ       PHE  13  -0.871  12.422  -2.083
   58    H    CYS  14           HN       CYS  14   3.721  10.139  -0.219
   59    HA   CYS  14           HA       CYS  14   2.127   7.935   0.802
   60    HB2  CYS  14           HB2      CYS  14   4.252   7.423   1.694
   61    HB3  CYS  14           HB1      CYS  14   4.587   9.113   2.067
   62    H    HIS  15           HN       HIS  15   0.265   8.662   1.575
   63    HA   HIS  15           HA       HIS  15  -0.061  11.522   1.626
   64    HB2  HIS  15           HB2      HIS  15  -1.656   9.913   0.486
   65    HB3  HIS  15           HB1      HIS  15  -2.210   9.452   2.093
   66    HD1  HIS  15           HD1      HIS  15  -4.514  10.445   2.138
   67    HD2  HIS  15           HD2      HIS  15  -1.620  13.134   0.839
   68    HE1  HIS  15           HE1      HIS  15  -5.689  12.665   1.943
   69    HE2  HIS  15           HE2      HIS  15  -3.943  14.256   1.059
   70    H    LEU  16           HN       LEU  16   0.079   8.969   3.974
   71    HA   LEU  16           HA       LEU  16  -1.010  10.618   6.073
   72    HB2  LEU  16           HB2      LEU  16  -0.194   8.774   7.584
   73    HB3  LEU  16           HB1      LEU  16  -1.383   8.309   6.385
   74    HG   LEU  16           HG       LEU  16   1.547   7.884   5.870
   75   HD11  LEU  16          HD11      LEU  16   1.144   6.825   8.002
   76   HD12  LEU  16          HD12      LEU  16   1.248   5.588   6.748
   77   HD13  LEU  16          HD13      LEU  16  -0.325   6.068   7.386
   78   HD21  LEU  16          HD21      LEU  16   0.736   6.144   4.398
   79   HD22  LEU  16          HD22      LEU  16  -0.082   7.662   4.019
   80   HD23  LEU  16          HD23      LEU  16  -0.920   6.415   4.940
   81    H    CYS  17           HN       CYS  17   1.981  10.169   4.559
   82    HA   CYS  17           HA       CYS  17   3.682  11.130   6.625
   83    HB2  CYS  17           HB2      CYS  17   3.975  10.928   3.634
   84    HB3  CYS  17           HB1      CYS  17   5.290  11.291   4.734
   85    H    THR  18           HN       THR  18   1.864  12.518   3.996
   86    HA   THR  18           HA       THR  18   1.572  14.578   3.161
   87    HB   THR  18           HB       THR  18   1.425  16.433   4.871
   88    HG1  THR  18           HG1      THR  18   2.611  14.556   6.403
   89   HG21  THR  18          HG21      THR  18  -0.530  15.227   4.122
   90   HG22  THR  18          HG22      THR  18  -0.648  15.514   5.858
   91   HG23  THR  18          HG23      THR  18  -0.190  13.920   5.258
   92    H    LYS  19           HN       LYS  19   3.732  15.922   5.630
   93    HA   LYS  19           HA       LYS  19   5.181  17.204   3.461
   94    HB2  LYS  19           HB2      LYS  19   5.275  17.624   6.444
   95    HB3  LYS  19           HB1      LYS  19   6.253  18.521   5.289
   96    HG2  LYS  19           HG2      LYS  19   3.890  18.999   4.201
   97    HG3  LYS  19           HG1      LYS  19   3.343  18.693   5.852
   98    HD2  LYS  19           HD2      LYS  19   3.752  21.057   5.587
   99    HD3  LYS  19           HD1      LYS  19   4.986  20.376   6.654
  100    HE2  LYS  19           HE2      LYS  19   6.546  20.259   4.778
  101    HE3  LYS  19           HE1      LYS  19   5.318  20.925   3.704
  102    HZ1  LYS  19           HZ1      LYS  19   6.348  22.353   6.096
  103    HZ2  LYS  19           HZ2      LYS  19   5.383  22.984   4.848
  104    HZ3  LYS  19           HZ3      LYS  19   6.987  22.549   4.537
  105    H    ASP  20           HN       ASP  20   5.554  14.309   4.393
  106    HA   ASP  20           HA       ASP  20   8.385  14.243   4.981
  107    HB2  ASP  20           HB2      ASP  20   6.244  12.205   4.545
  108    HB3  ASP  20           HB1      ASP  20   7.912  11.708   4.328
  109    H    ASN  21           HN       ASN  21   8.289  15.789   2.875
  110    HA   ASN  21           HA       ASN  21   8.887  16.162   0.714
  111    HB2  ASN  21           HB2      ASN  21  10.750  14.549   1.302
  112    HB3  ASN  21           HB1      ASN  21   9.771  13.264   0.603
  113   HD21  ASN  21          HD21      ASN  21  11.148  12.770  -1.078
  114   HD22  ASN  21          HD22      ASN  21  11.479  13.868  -2.381
  115    H    PHE  22           HN       PHE  22   6.305  14.864   1.588
  116    HA   PHE  22           HA       PHE  22   4.360  14.083   0.735
  117    HB2  PHE  22           HB2      PHE  22   5.578  14.897  -1.915
  118    HB3  PHE  22           HB1      PHE  22   3.880  14.523  -1.642
  119    HD1  PHE  22           HD2      PHE  22   2.548  16.002  -0.108
  120    HD2  PHE  22           HD1      PHE  22   6.432  17.034  -1.493
  121    HE1  PHE  22           HE2      PHE  22   2.124  18.353   0.473
  122    HE2  PHE  22           HE1      PHE  22   6.019  19.389  -0.912
  123    HZ   PHE  22           HZ       PHE  22   3.849  20.052   0.057
  124    H    THR  23           HN       THR  23   6.494  12.264   1.192
  125    HA   THR  23           HA       THR  23   5.563   9.968  -0.168
  126    HB   THR  23           HB       THR  23   6.823  10.861  -2.018
  127    HG1  THR  23           HG1      THR  23   7.493   8.935  -2.464
  128   HG21  THR  23          HG21      THR  23   9.213  10.866  -0.176
  129   HG22  THR  23          HG22      THR  23   8.386  12.289  -0.808
  130   HG23  THR  23          HG23      THR  23   9.250  11.212  -1.905
  131    H    CYS  24           HN       CYS  24   7.617   8.237   0.187
  132    HA   CYS  24           HA       CYS  24   8.931   8.660   2.695
  133    HB2  CYS  24           HB2      CYS  24   6.750   8.182   3.575
  134    HB3  CYS  24           HB1      CYS  24   6.582   6.777   2.531
  135    H    VAL  25           HN       VAL  25  10.602   7.277   3.001
  136    HA   VAL  25           HA       VAL  25  11.099   5.330   0.881
  137    HB   VAL  25           HB       VAL  25  12.902   6.909   1.334
  138   HG11  VAL  25          HG11      VAL  25  14.145   6.834   3.456
  139   HG12  VAL  25          HG12      VAL  25  12.916   5.753   4.116
  140   HG13  VAL  25          HG13      VAL  25  12.487   7.402   3.658
  141   HG21  VAL  25          HG21      VAL  25  13.496   4.674   0.559
  142   HG22  VAL  25          HG22      VAL  25  13.616   4.119   2.229
  143   HG23  VAL  25          HG23      VAL  25  14.742   5.332   1.619
  144    H    THR  26           HN       THR  26  11.263   3.174   1.233
  145    HA   THR  26           HA       THR  26  10.690   2.185   3.954
  146    HB   THR  26           HB       THR  26   8.582   2.134   2.923
  147    HG1  THR  26           HG1      THR  26   8.235  -0.124   2.774
  148   HG21  THR  26          HG21      THR  26   9.894   0.862   0.521
  149   HG22  THR  26          HG22      THR  26   9.273   2.510   0.607
  150   HG23  THR  26          HG23      THR  26   8.164   1.143   0.721
  151    H    ASP  27           HN       ASP  27  11.371   0.142   4.450
  152    HA   ASP  27           HA       ASP  27  13.591  -0.885   2.907
  153    HB2  ASP  27           HB2      ASP  27  13.620  -0.753   5.396
  154    HB3  ASP  27           HB1      ASP  27  12.319  -1.936   5.447
  155    H    GLY  28           HN       GLY  28  10.218  -1.352   2.971
  156    HA2  GLY  28           HA2      GLY  28  10.431  -4.176   2.195
  157    HA3  GLY  28           HA1      GLY  28   8.966  -3.365   2.721
  158    H    LEU  29           HN       LEU  29   8.073  -1.686   1.230
  159    HA   LEU  29           HA       LEU  29   8.769  -1.556  -1.442
  160    HB2  LEU  29           HB2      LEU  29   6.964  -2.964  -2.468
  161    HB3  LEU  29           HB1      LEU  29   8.294  -3.845  -1.751
  162    HG   LEU  29           HG       LEU  29   6.555  -3.872   0.320
  163   HD11  LEU  29          HD11      LEU  29   4.828  -2.691  -0.947
  164   HD12  LEU  29          HD12      LEU  29   4.327  -4.328  -0.525
  165   HD13  LEU  29          HD13      LEU  29   4.858  -3.966  -2.167
  166   HD21  LEU  29          HD21      LEU  29   7.718  -5.787  -0.635
  167   HD22  LEU  29          HD22      LEU  29   6.603  -5.792  -2.002
  168   HD23  LEU  29          HD23      LEU  29   6.009  -6.143  -0.379
  169    H    CYS  30           HN       CYS  30   6.456  -1.136  -2.781
  170    HA   CYS  30           HA       CYS  30   5.374   1.188  -1.358
  171    HB2  CYS  30           HB2      CYS  30   5.205   0.297  -4.241
  172    HB3  CYS  30           HB1      CYS  30   4.349   1.698  -3.606
  173    H    PHE  31           HN       PHE  31   3.225   1.354  -0.756
  174    HA   PHE  31           HA       PHE  31   1.499  -0.937  -1.355
  175    HB2  PHE  31           HB2      PHE  31   2.578  -1.452   0.759
  176    HB3  PHE  31           HB1      PHE  31   2.122   0.116   1.405
  177    HD1  PHE  31           HD1      PHE  31   0.652  -3.010   0.044
  178    HD2  PHE  31           HD2      PHE  31   0.176   0.337   2.622
  179    HE1  PHE  31           HE1      PHE  31  -1.424  -3.988   0.921
  180    HE2  PHE  31           HE2      PHE  31  -1.907  -0.633   3.503
  181    HZ   PHE  31           HZ       PHE  31  -2.707  -2.799   2.651
  182    H    VAL  32           HN       VAL  32  -0.029   0.100  -2.477
  183    HA   VAL  32           HA       VAL  32  -1.218   2.549  -1.425
  184    HB   VAL  32           HB       VAL  32  -1.932   0.965  -3.888
  185   HG11  VAL  32          HG11      VAL  32  -2.655   3.777  -3.099
  186   HG12  VAL  32          HG12      VAL  32  -3.746   2.391  -3.137
  187   HG13  VAL  32          HG13      VAL  32  -3.048   3.007  -4.636
  188   HG21  VAL  32          HG21      VAL  32   0.353   1.727  -4.046
  189   HG22  VAL  32          HG22      VAL  32  -0.146   3.367  -3.633
  190   HG23  VAL  32          HG23      VAL  32  -0.676   2.642  -5.150
  191    H    SER  33           HN       SER  33  -2.856   2.401   0.010
  192    HA   SER  33           HA       SER  33  -4.462  -0.072   0.016
  193    HB2  SER  33           HB2      SER  33  -4.945   0.471   2.403
  194    HB3  SER  33           HB1      SER  33  -3.233   0.186   2.096
  195    HG   SER  33           HG       SER  33  -3.543   2.742   1.739
  196    H    VAL  34           HN       VAL  34  -6.168   0.329  -1.167
  197    HA   VAL  34           HA       VAL  34  -7.652   2.813  -0.710
  198    HB   VAL  34           HB       VAL  34  -7.877   0.792  -2.944
  199   HG11  VAL  34          HG11      VAL  34  -9.399   2.404  -3.989
  200   HG12  VAL  34          HG12      VAL  34  -9.323   3.406  -2.540
  201   HG13  VAL  34          HG13      VAL  34 -10.041   1.797  -2.463
  202   HG21  VAL  34          HG21      VAL  34  -6.796   3.605  -2.892
  203   HG22  VAL  34          HG22      VAL  34  -6.972   2.598  -4.329
  204   HG23  VAL  34          HG23      VAL  34  -5.850   2.126  -3.052
  205    H    THR  35           HN       THR  35  -8.930   2.451   1.043
  206    HA   THR  35           HA       THR  35 -10.378  -0.096   1.186
  207    HB   THR  35           HB       THR  35 -10.123   2.002   3.354
  208    HG1  THR  35           HG1      THR  35  -8.065   1.228   3.065
  209   HG21  THR  35          HG21      THR  35 -12.019   0.526   3.658
  210   HG22  THR  35          HG22      THR  35 -10.763   0.108   4.824
  211   HG23  THR  35          HG23      THR  35 -11.002  -0.889   3.388
  212    H    GLU  36           HN       GLU  36 -12.023   0.372  -0.297
  213    HA   GLU  36           HA       GLU  36 -13.602   2.777   0.202
  214    HB2  GLU  36           HB2      GLU  36 -13.836   0.762  -2.040
  215    HB3  GLU  36           HB1      GLU  36 -14.724   2.280  -1.911
  216    HG2  GLU  36           HG2      GLU  36 -12.614   3.516  -2.025
  217    HG3  GLU  36           HG1      GLU  36 -11.730   1.999  -2.151
  218    H    THR  37           HN       THR  37 -14.747   2.428   1.937
  219    HA   THR  37           HA       THR  37 -16.571   0.128   1.959
  220    HB   THR  37           HB       THR  37 -16.809   0.645   4.406
  221    HG1  THR  37           HG1      THR  37 -14.668   1.992   4.937
  222   HG21  THR  37          HG21      THR  37 -14.617  -0.241   5.065
  223   HG22  THR  37          HG22      THR  37 -13.995   0.111   3.451
  224   HG23  THR  37          HG23      THR  37 -15.266  -1.095   3.665
  225    H    THR  38           HN       THR  38 -18.603   0.954   3.493
  226    HA   THR  38           HA       THR  38 -19.739   3.145   1.991
  227    HB   THR  38           HB       THR  38 -21.736   2.744   3.543
  228    HG1  THR  38           HG1      THR  38 -21.716   0.824   4.716
  229   HG21  THR  38          HG21      THR  38 -20.743   0.480   1.810
  230   HG22  THR  38          HG22      THR  38 -21.650   1.890   1.260
  231   HG23  THR  38          HG23      THR  38 -22.412   0.713   2.331
  232    H    ASP  39           HN       ASP  39 -17.740   2.863   4.563
  233    HA   ASP  39           HA       ASP  39 -18.549   5.025   6.227
  234    HB2  ASP  39           HB2      ASP  39 -17.036   3.377   7.089
  235    HB3  ASP  39           HB1      ASP  39 -15.945   3.580   5.726
  236    H    LYS  40           HN       LYS  40 -16.032   4.650   3.779
  237    HA   LYS  40           HA       LYS  40 -16.724   6.996   2.353
  238    HB2  LYS  40           HB2      LYS  40 -14.436   8.110   2.852
  239    HB3  LYS  40           HB1      LYS  40 -15.742   8.318   4.018
  240    HG2  LYS  40           HG2      LYS  40 -14.803   6.426   5.319
  241    HG3  LYS  40           HG1      LYS  40 -13.438   6.392   4.203
  242    HD2  LYS  40           HD2      LYS  40 -12.592   8.390   4.974
  243    HD3  LYS  40           HD1      LYS  40 -14.159   8.940   5.580
  244    HE2  LYS  40           HE2      LYS  40 -12.966   6.495   6.761
  245    HE3  LYS  40           HE1      LYS  40 -12.271   8.056   7.217
  246    HZ1  LYS  40           HZ1      LYS  40 -14.997   7.011   7.681
  247    HZ2  LYS  40           HZ2      LYS  40 -14.702   8.681   7.698
  248    HZ3  LYS  40           HZ3      LYS  40 -13.901   7.669   8.799
  249    H    VAL  41           HN       VAL  41 -15.022   7.466   0.671
  250    HA   VAL  41           HA       VAL  41 -13.886   4.949  -0.270
  251    HB   VAL  41           HB       VAL  41 -14.193   7.639  -1.628
  252   HG11  VAL  41          HG11      VAL  41 -12.200   6.510  -2.455
  253   HG12  VAL  41          HG12      VAL  41 -13.472   6.517  -3.677
  254   HG13  VAL  41          HG13      VAL  41 -13.139   5.050  -2.756
  255   HG21  VAL  41          HG21      VAL  41 -15.601   5.002  -2.041
  256   HG22  VAL  41          HG22      VAL  41 -15.832   6.448  -3.025
  257   HG23  VAL  41          HG23      VAL  41 -16.292   6.457  -1.323
  258    H    ILE  42           HN       ILE  42 -11.970   4.526   0.633
  259    HA   ILE  42           HA       ILE  42 -10.238   6.762   1.401
  260    HB   ILE  42           HB       ILE  42 -10.115   3.854   2.228
  261   HG12  ILE  42          HG12      ILE  42 -11.059   6.217   3.862
  262   HG13  ILE  42          HG11      ILE  42 -12.153   5.145   2.993
  263   HG21  ILE  42          HG21      ILE  42  -7.949   4.934   2.364
  264   HG22  ILE  42          HG22      ILE  42  -8.595   4.652   3.981
  265   HG23  ILE  42          HG23      ILE  42  -8.651   6.269   3.279
  266   HD11  ILE  42          HD11      ILE  42 -10.253   4.301   5.171
  267   HD12  ILE  42          HD12      ILE  42 -11.412   3.263   4.334
  268   HD13  ILE  42          HD13      ILE  42 -11.984   4.578   5.365
  269    H    HIS  43           HN       HIS  43  -8.686   7.266  -0.018
  270    HA   HIS  43           HA       HIS  43  -7.195   5.034  -1.251
  271    HB2  HIS  43           HB2      HIS  43  -7.802   7.755  -2.427
  272    HB3  HIS  43           HB1      HIS  43  -6.548   6.699  -3.059
  273    HD1  HIS  43           HD1      HIS  43  -7.293   5.417  -5.033
  274    HD2  HIS  43           HD2      HIS  43 -10.435   6.203  -2.412
  275    HE1  HIS  43           HE1      HIS  43  -9.348   4.490  -6.134
  276    HE2  HIS  43           HE2      HIS  43 -11.174   4.723  -4.411
  277    H    ASN  44           HN       ASN  44  -5.427   4.845   0.001
  278    HA   ASN  44           HA       ASN  44  -3.748   7.211   0.315
  279    HB2  ASN  44           HB2      ASN  44  -4.690   5.518   2.634
  280    HB3  ASN  44           HB1      ASN  44  -3.241   6.512   2.713
  281   HD21  ASN  44          HD21      ASN  44  -6.685   6.473   2.733
  282   HD22  ASN  44          HD22      ASN  44  -6.913   8.146   3.107
  283    H    SER  45           HN       SER  45  -1.765   6.726  -0.298
  284    HA   SER  45           HA       SER  45  -0.916   3.921  -0.247
  285    HB2  SER  45           HB2      SER  45   0.461   6.186  -1.681
  286    HB3  SER  45           HB1      SER  45   0.647   4.460  -1.959
  287    HG   SER  45           HG       SER  45  -0.686   5.216  -3.542
  288    H    MET  46           HN       MET  46   0.652   3.240   1.003
  289    HA   MET  46           HA       MET  46   2.090   5.263   2.585
  290    HB2  MET  46           HB2      MET  46   0.412   4.017   3.912
  291    HB3  MET  46           HB1      MET  46   1.158   2.508   3.417
  292    HG2  MET  46           HG2      MET  46   3.246   3.239   4.550
  293    HG3  MET  46           HG1      MET  46   2.365   4.640   5.157
  294    HE1  MET  46           HE1      MET  46   2.641   0.737   5.149
  295    HE2  MET  46           HE2      MET  46   0.958   0.970   4.680
  296    HE3  MET  46           HE3      MET  46   1.347   0.271   6.252
  297    H    CYS  47           HN       CYS  47   4.228   4.721   3.116
  298    HA   CYS  47           HA       CYS  47   5.580   2.880   1.358
  299    HB2  CYS  47           HB2      CYS  47   7.609   3.551   2.619
  300    HB3  CYS  47           HB1      CYS  47   6.719   4.961   2.059
  301    H    ILE  48           HN       ILE  48   5.219   0.790   1.736
  302    HA   ILE  48           HA       ILE  48   4.683   0.026   4.473
  303    HB   ILE  48           HB       ILE  48   3.369  -0.787   2.363
  304   HG12  ILE  48          HG12      ILE  48   4.112  -2.107   4.869
  305   HG13  ILE  48          HG11      ILE  48   2.529  -1.638   4.266
  306   HG21  ILE  48          HG21      ILE  48   4.132  -3.005   1.562
  307   HG22  ILE  48          HG22      ILE  48   5.673  -2.718   2.382
  308   HG23  ILE  48          HG23      ILE  48   5.165  -1.666   1.063
  309   HD11  ILE  48          HD11      ILE  48   4.068  -4.092   3.450
  310   HD12  ILE  48          HD12      ILE  48   2.499  -3.602   2.808
  311   HD13  ILE  48          HD13      ILE  48   2.659  -4.041   4.510
  312    H    ALA  49           HN       ALA  49   6.386  -0.273   5.683
  313    HA   ALA  49           HA       ALA  49   8.926  -0.994   4.603
  314    HB1  ALA  49           HB1      ALA  49   8.772   0.512   6.514
  315    HB2  ALA  49           HB2      ALA  49   9.683  -0.937   6.944
  316    HB3  ALA  49           HB3      ALA  49   8.011  -0.757   7.474
  317    H    GLU  50           HN       GLU  50  10.158  -2.860   5.484
  318    HA   GLU  50           HA       GLU  50   8.817  -5.259   4.925
  319    HB2  GLU  50           HB2      GLU  50  11.257  -4.990   4.785
  320    HB3  GLU  50           HB1      GLU  50  11.339  -4.875   6.538
  321    HG2  GLU  50           HG2      GLU  50  10.551  -7.138   6.772
  322    HG3  GLU  50           HG1      GLU  50  10.300  -7.261   5.031
  323    H    ILE  51           HN       ILE  51   9.460  -3.619   7.951
  324    HA   ILE  51           HA       ILE  51   8.475  -5.549   9.727
  325    HB   ILE  51           HB       ILE  51   8.080  -3.673  11.285
  326   HG12  ILE  51          HG12      ILE  51   9.244  -1.508   9.888
  327   HG13  ILE  51          HG11      ILE  51   8.006  -2.171   8.825
  328   HG21  ILE  51          HG21      ILE  51  10.293  -4.642  11.114
  329   HG22  ILE  51          HG22      ILE  51  10.408  -2.905  11.400
  330   HG23  ILE  51          HG23      ILE  51  10.689  -3.552   9.784
  331   HD11  ILE  51          HD11      ILE  51   7.584  -1.276  11.668
  332   HD12  ILE  51          HD12      ILE  51   6.349  -1.937  10.596
  333   HD13  ILE  51          HD13      ILE  51   7.114  -0.394  10.214
  334    H    ASP  52           HN       ASP  52   6.821  -3.502   7.501
  335    HA   ASP  52           HA       ASP  52   4.263  -3.802   8.896
  336    HB2  ASP  52           HB2      ASP  52   5.311  -1.643   7.619
  337    HB3  ASP  52           HB1      ASP  52   4.361  -2.353   6.318
  338    H    LEU  53           HN       LEU  53   6.089  -5.418   6.626
  339    HA   LEU  53           HA       LEU  53   3.916  -6.371   4.979
  340    HB2  LEU  53           HB2      LEU  53   6.821  -6.988   5.214
  341    HB3  LEU  53           HB1      LEU  53   5.781  -8.241   4.582
  342    HG   LEU  53           HG       LEU  53   5.027  -6.643   2.817
  343   HD11  LEU  53          HD11      LEU  53   5.566  -4.556   3.940
  344   HD12  LEU  53          HD12      LEU  53   6.387  -4.671   2.383
  345   HD13  LEU  53          HD13      LEU  53   7.281  -4.956   3.874
  346   HD21  LEU  53          HD21      LEU  53   7.065  -6.856   1.487
  347   HD22  LEU  53          HD22      LEU  53   6.724  -8.334   2.387
  348   HD23  LEU  53          HD23      LEU  53   7.979  -7.230   2.948
  349    H    ILE  54           HN       ILE  54   2.384  -7.438   6.062
  350    HA   ILE  54           HA       ILE  54   3.217  -9.485   8.020
  351    HB   ILE  54           HB       ILE  54   0.684  -7.857   8.193
  352   HG12  ILE  54          HG12      ILE  54   2.654  -6.347   8.350
  353   HG13  ILE  54          HG11      ILE  54   1.743  -6.443   9.855
  354   HG21  ILE  54          HG21      ILE  54   0.665  -9.977   9.375
  355   HG22  ILE  54          HG22      ILE  54   0.663  -8.628  10.511
  356   HG23  ILE  54          HG23      ILE  54   2.148  -9.536  10.220
  357   HD11  ILE  54          HD11      ILE  54   4.301  -7.914   9.271
  358   HD12  ILE  54          HD12      ILE  54   3.396  -7.963  10.783
  359   HD13  ILE  54          HD13      ILE  54   4.145  -6.457  10.252
  360    HA   PRO  55           HA       PRO  55   3.540 -11.432   7.883
  361    HB2  PRO  55           HB2      PRO  55   3.629 -13.541   5.871
  362    HB3  PRO  55           HB1      PRO  55   3.469 -13.678   7.623
  363    HG2  PRO  55           HG2      PRO  55   1.450 -14.284   5.937
  364    HG3  PRO  55           HG1      PRO  55   1.173 -13.611   7.554
  365    HD2  PRO  55           HD2      PRO  55   1.173 -12.214   4.897
  366    HD3  PRO  55           HD1      PRO  55   0.026 -12.063   6.247
  367    H    ARG  56           HN       ARG  56   5.763 -12.021   6.967
  368    HA   ARG  56           HA       ARG  56   6.425  -9.783   5.326
  369    HB2  ARG  56           HB2      ARG  56   8.097 -11.877   6.673
  370    HB3  ARG  56           HB1      ARG  56   8.790 -10.592   5.692
  371    HG2  ARG  56           HG2      ARG  56   7.625  -8.950   7.170
  372    HG3  ARG  56           HG1      ARG  56   7.173 -10.299   8.210
  373    HD2  ARG  56           HD2      ARG  56   9.509 -10.805   8.610
  374    HD3  ARG  56           HD1      ARG  56   9.999  -9.520   7.503
  375    HE   ARG  56           HE       ARG  56   8.336  -8.777   9.786
  376   HH11  ARG  56          HH11      ARG  56  11.546  -8.902   8.381
  377   HH12  ARG  56          HH12      ARG  56  12.162  -7.631   9.392
  378   HH21  ARG  56          HH21      ARG  56   9.155  -7.151  11.127
  379   HH22  ARG  56          HH22      ARG  56  10.816  -6.652  10.970
  380    H    ASP  57           HN       ASP  57   5.899 -13.098   4.619
  381    HA   ASP  57           HA       ASP  57   7.532 -13.107   2.242
  382    HB2  ASP  57           HB2      ASP  57   6.418 -15.265   1.738
  383    HB3  ASP  57           HB1      ASP  57   7.152 -15.239   3.339
  384    H    ARG  58           HN       ARG  58   4.243 -12.532   3.134
  385    HA   ARG  58           HA       ARG  58   3.771 -11.052   0.726
  386    HB2  ARG  58           HB2      ARG  58   3.370 -13.462   0.074
  387    HB3  ARG  58           HB1      ARG  58   2.033 -13.473   1.219
  388    HG2  ARG  58           HG2      ARG  58   1.034 -11.592  -0.020
  389    HG3  ARG  58           HG1      ARG  58   2.322 -11.751  -1.212
  390    HD2  ARG  58           HD2      ARG  58   0.323 -12.898  -1.979
  391    HD3  ARG  58           HD1      ARG  58   1.616 -14.054  -1.662
  392    HE   ARG  58           HE       ARG  58  -0.058 -13.729   0.617
  393   HH11  ARG  58          HH11      ARG  58   0.068 -15.271  -2.532
  394   HH12  ARG  58          HH12      ARG  58  -0.979 -16.579  -2.068
  395   HH21  ARG  58          HH21      ARG  58  -1.453 -15.414   1.212
  396   HH22  ARG  58          HH22      ARG  58  -1.886 -16.638   0.052
  397    HA   PRO  59           HA       PRO  59   1.819  -9.139   4.404
  398    HB2  PRO  59           HB2      PRO  59   1.025  -7.015   2.680
  399    HB3  PRO  59           HB1      PRO  59   2.312  -7.011   3.892
  400    HG2  PRO  59           HG2      PRO  59   2.480  -7.363   0.975
  401    HG3  PRO  59           HG1      PRO  59   3.719  -6.811   2.111
  402    HD2  PRO  59           HD2      PRO  59   3.796  -9.236   0.920
  403    HD3  PRO  59           HD1      PRO  59   4.439  -8.951   2.551
  404    H    PHE  60           HN       PHE  60   0.021 -10.222   4.824
  405    HA   PHE  60           HA       PHE  60  -2.197 -10.561   3.120
  406    HB2  PHE  60           HB2      PHE  60  -2.064 -12.059   4.889
  407    HB3  PHE  60           HB1      PHE  60  -1.681 -10.813   6.065
  408    HD1  PHE  60           HD1      PHE  60  -4.509 -10.880   3.691
  409    HD2  PHE  60           HD2      PHE  60  -3.268 -11.285   7.744
  410    HE1  PHE  60           HE1      PHE  60  -6.862 -10.856   4.402
  411    HE2  PHE  60           HE2      PHE  60  -5.629 -11.247   8.459
  412    HZ   PHE  60           HZ       PHE  60  -7.392 -11.177   6.894
  413    H    VAL  61           HN       VAL  61  -1.066  -7.924   5.021
  414    HA   VAL  61           HA       VAL  61  -3.360  -6.331   5.144
  415    HB   VAL  61           HB       VAL  61  -0.609  -5.286   4.455
  416   HG11  VAL  61          HG11      VAL  61  -2.918  -4.088   5.982
  417   HG12  VAL  61          HG12      VAL  61  -2.371  -3.630   4.369
  418   HG13  VAL  61          HG13      VAL  61  -1.338  -3.335   5.767
  419   HG21  VAL  61          HG21      VAL  61  -0.188  -5.162   6.883
  420   HG22  VAL  61          HG22      VAL  61  -0.344  -6.821   6.306
  421   HG23  VAL  61          HG23      VAL  61  -1.680  -6.059   7.169
  422    H    CYS  62           HN       CYS  62  -1.361  -7.315   2.489
  423    HA   CYS  62           HA       CYS  62  -2.714  -5.530   0.633
  424    HB2  CYS  62           HB2      CYS  62  -0.204  -5.853   0.587
  425    HB3  CYS  62           HB1      CYS  62  -0.502  -7.496   0.037
  426    H    ALA  63           HN       ALA  63  -3.731  -8.092   2.018
  427    HA   ALA  63           HA       ALA  63  -5.509  -8.655  -0.184
  428    HB1  ALA  63           HB1      ALA  63  -3.920 -10.915   1.038
  429    HB2  ALA  63           HB2      ALA  63  -3.776 -10.320  -0.622
  430    HB3  ALA  63           HB3      ALA  63  -5.273 -11.087  -0.087
  431    HA   PRO  64           HA       PRO  64  -6.819  -8.280   4.311
  432    HB2  PRO  64           HB2      PRO  64  -9.083  -6.858   3.006
  433    HB3  PRO  64           HB1      PRO  64  -8.142  -6.413   4.434
  434    HG2  PRO  64           HG2      PRO  64  -7.736  -5.161   2.135
  435    HG3  PRO  64           HG1      PRO  64  -6.364  -5.602   3.172
  436    HD2  PRO  64           HD2      PRO  64  -7.360  -6.934   0.679
  437    HD3  PRO  64           HD1      PRO  64  -5.690  -6.618   1.197
  438    H    SER  65           HN       SER  65  -8.891  -8.796   5.413
  439    HA   SER  65           HA       SER  65  -9.838 -11.329   4.471
  440    HB2  SER  65           HB2      SER  65 -11.214 -11.138   6.649
  441    HB3  SER  65           HB1      SER  65  -9.457 -11.206   6.792
  442    HG   SER  65           HG       SER  65 -10.849  -8.741   6.642
  443    H    SER  66           HN       SER  66 -10.587  -9.595   2.596
  444    HA   SER  66           HA       SER  66 -13.210  -8.523   3.064
  445    HB2  SER  66           HB2      SER  66 -11.633  -7.347   1.611
  446    HB3  SER  66           HB1      SER  66 -11.565  -8.737   0.526
  447    HG   SER  66           HG       SER  66 -13.708  -6.947   1.010
  448    H    LYS  67           HN       LYS  67 -14.151 -10.549   3.705
  449    HA   LYS  67           HA       LYS  67 -14.899 -12.301   1.491
  450    HB2  LYS  67           HB2      LYS  67 -16.094 -13.593   3.296
  451    HB3  LYS  67           HB1      LYS  67 -14.352 -13.481   3.503
  452    HG2  LYS  67           HG2      LYS  67 -14.644 -11.723   5.163
  453    HG3  LYS  67           HG1      LYS  67 -16.391 -11.781   4.927
  454    HD2  LYS  67           HD2      LYS  67 -15.779 -13.010   6.925
  455    HD3  LYS  67           HD1      LYS  67 -16.397 -14.119   5.704
  456    HE2  LYS  67           HE2      LYS  67 -14.126 -14.767   5.115
  457    HE3  LYS  67           HE1      LYS  67 -13.480 -13.616   6.283
  458    HZ1  LYS  67           HZ1      LYS  67 -15.207 -15.937   6.960
  459    HZ2  LYS  67           HZ2      LYS  67 -14.486 -14.867   8.063
  460    HZ3  LYS  67           HZ3      LYS  67 -13.520 -15.902   7.124
  461    H    THR  68           HN       THR  68 -16.171  -9.942   3.711
  462    HA   THR  68           HA       THR  68 -18.329  -9.322   1.889
  463    HB   THR  68           HB       THR  68 -19.767  -9.179   4.176
  464    HG1  THR  68           HG1      THR  68 -18.596 -11.711   4.506
  465   HG21  THR  68          HG21      THR  68 -20.902 -11.231   3.460
  466   HG22  THR  68          HG22      THR  68 -19.535 -11.624   2.416
  467   HG23  THR  68          HG23      THR  68 -20.519 -10.197   2.085
  468    H    GLY  69           HN       GLY  69 -18.105  -7.194   1.613
  469    HA2  GLY  69           HA2      GLY  69 -18.058  -4.946   2.233
  470    HA3  GLY  69           HA1      GLY  69 -17.839  -5.436   3.907
  471    H    SER  70           HN       SER  70 -16.326  -3.518   3.613
  472    HA   SER  70           HA       SER  70 -14.277  -2.579   3.317
  473    HB2  SER  70           HB2      SER  70 -12.373  -3.997   4.140
  474    HB3  SER  70           HB1      SER  70 -13.748  -3.895   5.238
  475    HG   SER  70           HG       SER  70 -14.062  -5.980   3.563
  476    H    VAL  71           HN       VAL  71 -14.628  -2.356   0.999
  477    HA   VAL  71           HA       VAL  71 -13.277  -4.247  -0.714
  478    HB   VAL  71           HB       VAL  71 -14.357  -1.516  -1.446
  479   HG11  VAL  71          HG11      VAL  71 -12.773  -2.387  -3.069
  480   HG12  VAL  71          HG12      VAL  71 -14.408  -2.426  -3.732
  481   HG13  VAL  71          HG13      VAL  71 -13.658  -3.910  -3.143
  482   HG21  VAL  71          HG21      VAL  71 -16.122  -2.929  -0.499
  483   HG22  VAL  71          HG22      VAL  71 -15.719  -4.199  -1.653
  484   HG23  VAL  71          HG23      VAL  71 -16.361  -2.659  -2.225
  485    H    THR  72           HN       THR  72 -11.279  -4.126   0.368
  486    HA   THR  72           HA       THR  72  -9.740  -1.657   0.144
  487    HB   THR  72           HB       THR  72  -8.824  -4.282   1.314
  488    HG1  THR  72           HG1      THR  72 -10.891  -3.004   2.152
  489   HG21  THR  72          HG21      THR  72  -8.045  -1.407   1.835
  490   HG22  THR  72          HG22      THR  72  -7.096  -2.592   0.937
  491   HG23  THR  72          HG23      THR  72  -7.380  -2.814   2.663
  492    H    THR  73           HN       THR  73  -9.098  -1.409  -1.917
  493    HA   THR  73           HA       THR  73  -8.007  -3.707  -3.350
  494    HB   THR  73           HB       THR  73  -7.848  -2.026  -5.267
  495    HG1  THR  73           HG1      THR  73  -9.755  -0.482  -3.905
  496   HG21  THR  73          HG21      THR  73  -9.638  -3.696  -5.103
  497   HG22  THR  73          HG22      THR  73 -10.237  -2.180  -5.779
  498   HG23  THR  73          HG23      THR  73 -10.576  -2.589  -4.097
  499    H    THR  74           HN       THR  74  -6.086  -4.080  -2.437
  500    HA   THR  74           HA       THR  74  -4.327  -1.847  -1.827
  501    HB   THR  74           HB       THR  74  -2.970  -3.757  -0.735
  502    HG1  THR  74           HG1      THR  74  -4.080  -5.504  -1.691
  503   HG21  THR  74          HG21      THR  74  -5.710  -3.046   0.321
  504   HG22  THR  74          HG22      THR  74  -4.255  -2.066   0.502
  505   HG23  THR  74          HG23      THR  74  -4.354  -3.650   1.274
  506    H    TYR  75           HN       TYR  75  -3.079  -1.225  -3.449
  507    HA   TYR  75           HA       TYR  75  -1.898  -3.251  -5.188
  508    HB2  TYR  75           HB2      TYR  75  -2.999  -1.226  -6.178
  509    HB3  TYR  75           HB1      TYR  75  -1.719  -0.253  -5.456
  510    HD1  TYR  75           HD2      TYR  75  -2.331  -3.037  -7.839
  511    HD2  TYR  75           HD1      TYR  75   0.337   0.033  -6.572
  512    HE1  TYR  75           HE2      TYR  75  -0.928  -3.452  -9.816
  513    HE2  TYR  75           HE1      TYR  75   1.741  -0.376  -8.547
  514    HH   TYR  75           HH       TYR  75   0.723  -2.152 -11.209
  515    H    CYS  76           HN       CYS  76  -0.310  -4.126  -3.919
  516    HA   CYS  76           HA       CYS  76   1.768  -2.284  -2.982
  517    HB2  CYS  76           HB2      CYS  76   2.565  -4.179  -1.590
  518    HB3  CYS  76           HB1      CYS  76   0.902  -3.733  -1.236
  519    H    CYS  77           HN       CYS  77   3.745  -2.299  -3.876
  520    HA   CYS  77           HA       CYS  77   4.399  -4.325  -5.872
  521    HB2  CYS  77           HB2      CYS  77   4.936  -2.390  -7.491
  522    HB3  CYS  77           HB1      CYS  77   3.245  -2.838  -7.288
  523    H    ASN  78           HN       ASN  78   6.624  -4.300  -6.506
  524    HA   ASN  78           HA       ASN  78   8.321  -3.199  -4.390
  525    HB2  ASN  78           HB2      ASN  78   8.914  -5.250  -6.535
  526    HB3  ASN  78           HB1      ASN  78  10.059  -4.723  -5.307
  527   HD21  ASN  78          HD21      ASN  78   9.799  -5.386  -3.189
  528   HD22  ASN  78          HD22      ASN  78   8.736  -6.683  -2.757
  529    H    GLN  79           HN       GLN  79   7.220  -2.006  -7.150
  530    HA   GLN  79           HA       GLN  79   9.724  -1.171  -8.349
  531    HB2  GLN  79           HB2      GLN  79   6.885  -0.419  -9.072
  532    HB3  GLN  79           HB1      GLN  79   8.320  -0.075 -10.024
  533    HG2  GLN  79           HG2      GLN  79   7.241  -2.814  -9.398
  534    HG3  GLN  79           HG1      GLN  79   7.051  -1.952 -10.921
  535   HE21  GLN  79          HE21      GLN  79   9.772  -0.876 -10.843
  536   HE22  GLN  79          HE22      GLN  79  10.818  -2.202 -11.235
  537    H    ASP  80           HN       ASP  80  10.560   0.867  -8.279
  538    HA   ASP  80           HA       ASP  80   9.844   2.560  -6.114
  539    HB2  ASP  80           HB2      ASP  80  11.545   4.063  -6.926
  540    HB3  ASP  80           HB1      ASP  80  12.140   2.413  -7.082
  541    H    HIS  81           HN       HIS  81   8.851   4.563  -6.110
  542    HA   HIS  81           HA       HIS  81   7.384   6.191  -6.700
  543    HB2  HIS  81           HB2      HIS  81   8.485   5.629  -9.462
  544    HB3  HIS  81           HB1      HIS  81   7.412   6.973  -9.085
  545    HD1  HIS  81           HD1      HIS  81  10.941   5.946  -9.054
  546    HD2  HIS  81           HD2      HIS  81   8.603   8.923  -7.299
  547    HE1  HIS  81           HE1      HIS  81  12.554   7.692  -8.228
  548    HE2  HIS  81           HE2      HIS  81  11.129   9.500  -7.202
  549    H    CYS  82           HN       CYS  82   6.663   3.274  -6.815
  550    HA   CYS  82           HA       CYS  82   4.375   3.324  -8.634
  551    HB2  CYS  82           HB2      CYS  82   5.762   1.357  -8.825
  552    HB3  CYS  82           HB1      CYS  82   5.740   1.109  -7.086
  553    H    ASN  83           HN       ASN  83   3.121   4.792  -7.387
  554    HA   ASN  83           HA       ASN  83   2.111   3.671  -4.862
  555    HB2  ASN  83           HB2      ASN  83   2.331   5.870  -3.774
  556    HB3  ASN  83           HB1      ASN  83   3.894   5.233  -4.277
  557   HD21  ASN  83          HD21      ASN  83   5.070   6.288  -5.788
  558   HD22  ASN  83          HD22      ASN  83   4.608   7.793  -6.504
  559    H    LYS  84           HN       LYS  84   1.295   4.861  -7.823
  560    HA   LYS  84           HA       LYS  84  -1.383   5.424  -6.808
  561    HB2  LYS  84           HB2      LYS  84  -0.390   7.632  -7.222
  562    HB3  LYS  84           HB1      LYS  84  -0.068   7.175  -8.891
  563    HG2  LYS  84           HG2      LYS  84  -2.403   7.033  -9.376
  564    HG3  LYS  84           HG1      LYS  84  -2.822   7.224  -7.676
  565    HD2  LYS  84           HD2      LYS  84  -2.039   9.491  -7.679
  566    HD3  LYS  84           HD1      LYS  84  -1.410   9.316  -9.319
  567    HE2  LYS  84           HE2      LYS  84  -3.575  10.519  -9.223
  568    HE3  LYS  84           HE1      LYS  84  -3.628   9.056 -10.206
  569    HZ1  LYS  84           HZ1      LYS  84  -4.599   9.278  -7.399
  570    HZ2  LYS  84           HZ2      LYS  84  -4.692   7.894  -8.380
  571    HZ3  LYS  84           HZ3      LYS  84  -5.582   9.277  -8.780
  572    H    ILE  85           HN       ILE  85  -1.240   3.140  -7.501
  573    HA   ILE  85           HA       ILE  85  -2.710   2.999 -10.007
  574    HB   ILE  85           HB       ILE  85  -0.612   0.917  -9.306
  575   HG12  ILE  85          HG12      ILE  85   0.268   1.715 -11.670
  576   HG13  ILE  85          HG11      ILE  85  -0.509   3.225 -11.205
  577   HG21  ILE  85          HG21      ILE  85  -1.169  -0.041 -11.497
  578   HG22  ILE  85          HG22      ILE  85  -2.423   1.184 -11.701
  579   HG23  ILE  85          HG23      ILE  85  -2.556  -0.008 -10.409
  580   HD11  ILE  85          HD11      ILE  85   1.843   3.248 -10.643
  581   HD12  ILE  85          HD12      ILE  85   1.643   1.792  -9.665
  582   HD13  ILE  85          HD13      ILE  85   0.855   3.294  -9.182
  583    H    GLU  86           HN       GLU  86  -4.536   1.768  -9.669
  584    HA   GLU  86           HA       GLU  86  -4.575   0.189  -7.195
  585    HB2  GLU  86           HB2      GLU  86  -6.647   2.174  -8.117
  586    HB3  GLU  86           HB1      GLU  86  -6.956   0.968  -6.873
  587    HG2  GLU  86           HG2      GLU  86  -6.228   2.473  -5.421
  588    HG3  GLU  86           HG1      GLU  86  -4.611   2.137  -6.041
  589    H    LEU  87           HN       LEU  87  -6.409  -1.296  -7.052
  590    HA   LEU  87           HA       LEU  87  -6.546  -2.820  -9.506
  591    HB2  LEU  87           HB2      LEU  87  -7.465  -3.384  -6.683
  592    HB3  LEU  87           HB1      LEU  87  -7.754  -4.483  -8.014
  593    HG   LEU  87           HG       LEU  87  -5.286  -4.706  -8.312
  594   HD11  LEU  87          HD11      LEU  87  -5.142  -3.168  -5.724
  595   HD12  LEU  87          HD12      LEU  87  -4.609  -2.580  -7.298
  596   HD13  LEU  87          HD13      LEU  87  -3.796  -3.954  -6.550
  597   HD21  LEU  87          HD21      LEU  87  -6.367  -5.382  -5.581
  598   HD22  LEU  87          HD22      LEU  87  -4.940  -6.101  -6.325
  599   HD23  LEU  87          HD23      LEU  87  -6.532  -6.357  -7.042
  600    HA   PRO  88           HA       PRO  88 -10.628  -1.361 -10.489
  601    HB2  PRO  88           HB2      PRO  88 -11.311  -3.219 -12.323
  602    HB3  PRO  88           HB1      PRO  88 -10.116  -1.961 -12.656
  603    HG2  PRO  88           HG2      PRO  88  -9.695  -4.826 -11.917
  604    HG3  PRO  88           HG1      PRO  88  -8.841  -3.842 -13.118
  605    HD2  PRO  88           HD2      PRO  88  -7.863  -4.377 -10.625
  606    HD3  PRO  88           HD1      PRO  88  -7.449  -2.921 -11.550
  607    H    THR  89           HN       THR  89 -10.939  -2.234  -8.125
  608    HA   THR  89           HA       THR  89 -12.259  -3.272  -6.603
  609    HB   THR  89           HB       THR  89 -13.978  -4.216  -8.903
  610    HG1  THR  89           HG1      THR  89 -13.873  -1.679  -7.591
  611   HG21  THR  89          HG21      THR  89 -14.550  -5.153  -6.723
  612   HG22  THR  89          HG22      THR  89 -15.785  -4.004  -7.241
  613   HG23  THR  89          HG23      THR  89 -14.598  -3.534  -6.024
  614    H    THR  90           HN       THR  90 -10.442  -4.705  -6.266
  615    HA   THR  90           HA       THR  90 -11.144  -7.484  -6.755
  616    HB   THR  90           HB       THR  90  -8.387  -6.461  -7.469
  617    HG1  THR  90           HG1      THR  90 -10.722  -6.687  -8.976
  618   HG21  THR  90          HG21      THR  90  -8.101  -8.684  -8.459
  619   HG22  THR  90          HG22      THR  90  -9.725  -9.130  -7.939
  620   HG23  THR  90          HG23      THR  90  -8.474  -8.801  -6.739
  621    H    VAL  91           HN       VAL  91 -11.188  -8.236  -4.733
  622    HA   VAL  91           HA       VAL  91  -8.787  -8.327  -3.200
  623    HB   VAL  91           HB       VAL  91  -9.324  -6.139  -2.467
  624   HG11  VAL  91          HG11      VAL  91 -11.456  -5.508  -1.459
  625   HG12  VAL  91          HG12      VAL  91 -12.100  -7.111  -1.811
  626   HG13  VAL  91          HG13      VAL  91 -11.662  -6.028  -3.132
  627   HG21  VAL  91          HG21      VAL  91 -10.172  -8.138  -0.383
  628   HG22  VAL  91          HG22      VAL  91  -9.708  -6.468  -0.057
  629   HG23  VAL  91          HG23      VAL  91  -8.529  -7.596  -0.724
  630    HN1  NH2  92           HN1      NH2  91 -12.280  -8.475  -2.313
  Start of MODEL    4
    1    H1   GLY   5           HN       GLY   5  17.850  -0.095  -6.791
    2    HA2  GLY   5           HA2      GLY   5  17.310   1.233  -4.835
    3    HA3  GLY   5           HA1      GLY   5  16.157   2.124  -5.819
    4    H    SER   6           HN       SER   6  15.302  -0.429  -7.095
    5    HA   SER   6           HA       SER   6  13.073  -0.946  -5.464
    6    HB2  SER   6           HB2      SER   6  13.037  -3.061  -7.106
    7    HB3  SER   6           HB1      SER   6  12.616  -1.440  -7.659
    8    HG   SER   6           HG       SER   6  14.851  -2.999  -8.218
    9    H    ALA   7           HN       ALA   7  12.599  -2.543  -4.041
   10    HA   ALA   7           HA       ALA   7  12.891  -4.123  -2.446
   11    HB1  ALA   7           HB1      ALA   7  14.994  -5.262  -4.286
   12    HB2  ALA   7           HB2      ALA   7  13.264  -5.587  -4.394
   13    HB3  ALA   7           HB3      ALA   7  14.171  -6.104  -2.972
   14    H    THR   8           HN       THR   8  14.546  -1.652  -2.486
   15    HA   THR   8           HA       THR   8  16.277  -2.438  -0.286
   16    HB   THR   8           HB       THR   8  17.319  -0.903  -2.678
   17    HG1  THR   8           HG1      THR   8  17.419  -3.537  -1.901
   18   HG21  THR   8          HG21      THR   8  19.445  -0.809  -1.479
   19   HG22  THR   8          HG22      THR   8  18.705  -1.598  -0.086
   20   HG23  THR   8          HG23      THR   8  18.176   0.014  -0.569
   21    H    ALA   9           HN       ALA   9  15.461   0.327  -2.365
   22    HA   ALA   9           HA       ALA   9  14.601   1.802   0.016
   23    HB1  ALA   9           HB1      ALA   9  16.880   2.544  -0.485
   24    HB2  ALA   9           HB2      ALA   9  15.708   3.828  -0.776
   25    HB3  ALA   9           HB3      ALA   9  16.392   2.935  -2.134
   26    H    LEU  10           HN       LEU  10  12.477   1.455  -0.590
   27    HA   LEU  10           HA       LEU  10  11.643   2.351  -3.248
   28    HB2  LEU  10           HB2      LEU  10  10.143   0.882  -1.077
   29    HB3  LEU  10           HB1      LEU  10   9.406   1.422  -2.570
   30    HG   LEU  10           HG       LEU  10   9.829  -0.837  -2.940
   31   HD11  LEU  10          HD11      LEU  10  12.204   0.649  -4.044
   32   HD12  LEU  10          HD12      LEU  10  10.608   0.515  -4.783
   33   HD13  LEU  10          HD13      LEU  10  11.620  -0.920  -4.604
   34   HD21  LEU  10          HD21      LEU  10  11.930  -1.963  -2.402
   35   HD22  LEU  10          HD22      LEU  10  11.202  -1.244  -0.965
   36   HD23  LEU  10          HD23      LEU  10  12.576  -0.458  -1.745
   37    H    GLN  11           HN       GLN  11  11.306   4.488  -3.357
   38    HA   GLN  11           HA       GLN  11  10.071   5.804  -1.057
   39    HB2  GLN  11           HB2      GLN  11  11.980   6.902  -2.233
   40    HB3  GLN  11           HB1      GLN  11  10.967   7.053  -3.661
   41    HG2  GLN  11           HG2      GLN  11   9.465   8.513  -2.513
   42    HG3  GLN  11           HG1      GLN  11  10.292   8.231  -0.981
   43   HE21  GLN  11          HE21      GLN  11  10.394   9.855  -4.035
   44   HE22  GLN  11          HE22      GLN  11  11.708  10.919  -3.663
   45    H    CYS  12           HN       CYS  12   8.027   5.201  -0.981
   46    HA   CYS  12           HA       CYS  12   6.385   5.522  -3.413
   47    HB2  CYS  12           HB2      CYS  12   5.582   3.772  -1.113
   48    HB3  CYS  12           HB1      CYS  12   5.123   3.659  -2.816
   49    H    PHE  13           HN       PHE  13   4.403   6.563  -3.214
   50    HA   PHE  13           HA       PHE  13   4.350   8.762  -1.525
   51    HB2  PHE  13           HB2      PHE  13   1.779   7.581  -2.502
   52    HB3  PHE  13           HB1      PHE  13   2.244   9.274  -2.382
   53    HD1  PHE  13           HD1      PHE  13   4.394   9.823  -3.978
   54    HD2  PHE  13           HD2      PHE  13   1.525   6.735  -4.529
   55    HE1  PHE  13           HE1      PHE  13   4.893   9.788  -6.392
   56    HE2  PHE  13           HE2      PHE  13   2.011   6.687  -6.919
   57    HZ   PHE  13           HZ       PHE  13   3.701   8.215  -7.870
   58    H    CYS  14           HN       CYS  14   3.413   9.229   0.420
   59    HA   CYS  14           HA       CYS  14   1.651   7.217   1.569
   60    HB2  CYS  14           HB2      CYS  14   2.631   7.720   3.842
   61    HB3  CYS  14           HB1      CYS  14   3.650   6.779   2.760
   62    H    HIS  15           HN       HIS  15  -0.222   8.084   1.734
   63    HA   HIS  15           HA       HIS  15  -0.642  10.800   1.115
   64    HB2  HIS  15           HB2      HIS  15  -2.125   8.803   0.590
   65    HB3  HIS  15           HB1      HIS  15  -2.706   8.917   2.246
   66    HD1  HIS  15           HD1      HIS  15  -5.067   9.673   1.828
   67    HD2  HIS  15           HD2      HIS  15  -2.260  12.002  -0.174
   68    HE1  HIS  15           HE1      HIS  15  -6.356  11.596   0.845
   69    HE2  HIS  15           HE2      HIS  15  -4.673  12.854  -0.550
   70    H    LEU  16           HN       LEU  16  -0.106   9.338   4.164
   71    HA   LEU  16           HA       LEU  16  -1.541  11.501   5.532
   72    HB2  LEU  16           HB2      LEU  16  -0.491   8.874   6.570
   73    HB3  LEU  16           HB1      LEU  16  -1.164  10.120   7.599
   74    HG   LEU  16           HG       LEU  16  -2.898   8.572   7.305
   75   HD11  LEU  16          HD11      LEU  16  -3.348  10.776   5.306
   76   HD12  LEU  16          HD12      LEU  16  -3.651  10.852   7.042
   77   HD13  LEU  16          HD13      LEU  16  -4.604   9.769   6.027
   78   HD21  LEU  16          HD21      LEU  16  -3.624   7.695   5.149
   79   HD22  LEU  16          HD22      LEU  16  -1.934   7.299   5.464
   80   HD23  LEU  16          HD23      LEU  16  -2.341   8.598   4.342
   81    H    CYS  17           HN       CYS  17   1.510  10.913   4.446
   82    HA   CYS  17           HA       CYS  17   3.030  11.628   6.761
   83    HB2  CYS  17           HB2      CYS  17   3.775  11.523   3.843
   84    HB3  CYS  17           HB1      CYS  17   4.916  11.845   5.145
   85    H    THR  18           HN       THR  18   1.401  13.452   4.339
   86    HA   THR  18           HA       THR  18   1.491  15.576   3.595
   87    HB   THR  18           HB       THR  18   2.167  17.246   5.593
   88    HG1  THR  18           HG1      THR  18   2.414  15.033   6.833
   89   HG21  THR  18          HG21      THR  18   0.053  17.248   4.415
   90   HG22  THR  18          HG22      THR  18  -0.233  17.298   6.155
   91   HG23  THR  18          HG23      THR  18  -0.451  15.790   5.270
   92    H    LYS  19           HN       LYS  19   4.009  16.358   5.948
   93    HA   LYS  19           HA       LYS  19   5.640  17.162   3.652
   94    HB2  LYS  19           HB2      LYS  19   5.570  18.145   6.494
   95    HB3  LYS  19           HB1      LYS  19   6.859  18.575   5.379
   96    HG2  LYS  19           HG2      LYS  19   4.848  19.279   3.841
   97    HG3  LYS  19           HG1      LYS  19   4.004  19.396   5.387
   98    HD2  LYS  19           HD2      LYS  19   4.984  21.542   4.747
   99    HD3  LYS  19           HD1      LYS  19   5.738  20.915   6.215
  100    HE2  LYS  19           HE2      LYS  19   7.656  20.160   4.972
  101    HE3  LYS  19           HE1      LYS  19   6.885  20.578   3.445
  102    HZ1  LYS  19           HZ1      LYS  19   6.957  22.899   4.067
  103    HZ2  LYS  19           HZ2      LYS  19   8.514  22.229   4.111
  104    HZ3  LYS  19           HZ3      LYS  19   7.673  22.514   5.556
  105    H    ASP  20           HN       ASP  20   5.697  14.423   4.473
  106    HA   ASP  20           HA       ASP  20   8.255  13.988   5.751
  107    HB2  ASP  20           HB2      ASP  20   6.109  12.351   5.285
  108    HB3  ASP  20           HB1      ASP  20   7.190  11.868   3.990
  109    H    ASN  21           HN       ASN  21   7.378  15.270   2.910
  110    HA   ASN  21           HA       ASN  21   8.792  15.635   0.989
  111    HB2  ASN  21           HB2      ASN  21  10.455  13.853   1.738
  112    HB3  ASN  21           HB1      ASN  21   9.357  12.658   1.063
  113   HD21  ASN  21          HD21      ASN  21  10.872  11.953  -0.414
  114   HD22  ASN  21          HD22      ASN  21  11.322  12.879  -1.802
  115    H    PHE  22           HN       PHE  22   6.094  14.427   1.940
  116    HA   PHE  22           HA       PHE  22   4.121  13.699   1.122
  117    HB2  PHE  22           HB2      PHE  22   5.435  14.406  -1.498
  118    HB3  PHE  22           HB1      PHE  22   3.808  13.736  -1.415
  119    HD1  PHE  22           HD2      PHE  22   2.041  14.998  -0.158
  120    HD2  PHE  22           HD1      PHE  22   5.845  16.666  -1.076
  121    HE1  PHE  22           HE2      PHE  22   1.141  17.255   0.231
  122    HE2  PHE  22           HE1      PHE  22   4.954  18.925  -0.689
  123    HZ   PHE  22           HZ       PHE  22   2.573  19.211  -0.033
  124    H    THR  23           HN       THR  23   6.591  12.049   1.451
  125    HA   THR  23           HA       THR  23   5.604   9.508   0.832
  126    HB   THR  23           HB       THR  23   6.066  10.032  -1.502
  127    HG1  THR  23           HG1      THR  23   6.682   7.913  -0.657
  128   HG21  THR  23          HG21      THR  23   7.711  11.825  -1.152
  129   HG22  THR  23          HG22      THR  23   8.301  10.612  -2.290
  130   HG23  THR  23          HG23      THR  23   8.897  10.626  -0.630
  131    H    CYS  24           HN       CYS  24   7.257   7.832   1.388
  132    HA   CYS  24           HA       CYS  24   9.551   8.936   2.810
  133    HB2  CYS  24           HB2      CYS  24   9.097   7.839   4.778
  134    HB3  CYS  24           HB1      CYS  24   7.444   8.098   4.234
  135    H    VAL  25           HN       VAL  25  11.376   7.632   2.703
  136    HA   VAL  25           HA       VAL  25  11.301   5.653   0.583
  137    HB   VAL  25           HB       VAL  25  13.142   7.157   0.437
  138   HG11  VAL  25          HG11      VAL  25  13.236   7.904   2.736
  139   HG12  VAL  25          HG12      VAL  25  14.832   7.385   2.191
  140   HG13  VAL  25          HG13      VAL  25  13.874   6.338   3.238
  141   HG21  VAL  25          HG21      VAL  25  15.064   5.640   0.496
  142   HG22  VAL  25          HG22      VAL  25  13.639   4.869  -0.202
  143   HG23  VAL  25          HG23      VAL  25  14.122   4.496   1.453
  144    H    THR  26           HN       THR  26  10.908   3.652   0.949
  145    HA   THR  26           HA       THR  26  11.006   2.671   3.722
  146    HB   THR  26           HB       THR  26   8.822   3.014   2.370
  147    HG1  THR  26           HG1      THR  26   8.355   2.022   4.158
  148   HG21  THR  26          HG21      THR  26   8.101   0.992   1.176
  149   HG22  THR  26          HG22      THR  26   9.725   0.322   1.347
  150   HG23  THR  26          HG23      THR  26   9.466   1.773   0.379
  151    H    ASP  27           HN       ASP  27  11.199   0.365   3.989
  152    HA   ASP  27           HA       ASP  27  13.469  -0.600   2.406
  153    HB2  ASP  27           HB2      ASP  27  13.798  -0.256   4.824
  154    HB3  ASP  27           HB1      ASP  27  12.479  -1.364   5.166
  155    H    GLY  28           HN       GLY  28  10.193  -1.057   2.647
  156    HA2  GLY  28           HA2      GLY  28  10.344  -3.957   2.154
  157    HA3  GLY  28           HA1      GLY  28   8.908  -3.096   2.683
  158    H    LEU  29           HN       LEU  29   7.856  -1.670   1.121
  159    HA   LEU  29           HA       LEU  29   8.482  -1.829  -1.603
  160    HB2  LEU  29           HB2      LEU  29   6.489  -3.200  -2.344
  161    HB3  LEU  29           HB1      LEU  29   7.812  -4.102  -1.630
  162    HG   LEU  29           HG       LEU  29   6.320  -3.846   0.552
  163   HD11  LEU  29          HD11      LEU  29   4.327  -3.705  -1.703
  164   HD12  LEU  29          HD12      LEU  29   4.623  -2.456  -0.493
  165   HD13  LEU  29          HD13      LEU  29   3.944  -4.011  -0.009
  166   HD21  LEU  29          HD21      LEU  29   5.748  -5.814  -1.660
  167   HD22  LEU  29          HD22      LEU  29   5.360  -6.025   0.047
  168   HD23  LEU  29          HD23      LEU  29   7.045  -5.946  -0.470
  169    H    CYS  30           HN       CYS  30   6.430  -1.245  -2.965
  170    HA   CYS  30           HA       CYS  30   5.290   1.116  -1.707
  171    HB2  CYS  30           HB2      CYS  30   5.162   0.049  -4.537
  172    HB3  CYS  30           HB1      CYS  30   4.386   1.538  -4.006
  173    H    PHE  31           HN       PHE  31   3.151   1.327  -1.163
  174    HA   PHE  31           HA       PHE  31   1.438  -0.986  -1.645
  175    HB2  PHE  31           HB2      PHE  31   2.473  -1.379   0.511
  176    HB3  PHE  31           HB1      PHE  31   2.059   0.241   1.046
  177    HD1  PHE  31           HD1      PHE  31   0.567  -2.981  -0.023
  178    HD2  PHE  31           HD2      PHE  31   0.050   0.638   2.158
  179    HE1  PHE  31           HE1      PHE  31  -1.540  -3.848   0.904
  180    HE2  PHE  31           HE2      PHE  31  -2.059  -0.223   3.091
  181    HZ   PHE  31           HZ       PHE  31  -2.865  -2.448   2.456
  182    H    VAL  32           HN       VAL  32  -0.723  -0.566  -1.655
  183    HA   VAL  32           HA       VAL  32  -1.583   2.233  -1.404
  184    HB   VAL  32           HB       VAL  32  -2.341   0.361  -3.647
  185   HG11  VAL  32          HG11      VAL  32  -3.469   2.337  -4.607
  186   HG12  VAL  32          HG12      VAL  32  -3.104   3.224  -3.127
  187   HG13  VAL  32          HG13      VAL  32  -4.173   1.823  -3.072
  188   HG21  VAL  32          HG21      VAL  32  -0.076   1.151  -3.950
  189   HG22  VAL  32          HG22      VAL  32  -0.609   2.816  -3.721
  190   HG23  VAL  32          HG23      VAL  32  -1.152   1.902  -5.129
  191    H    SER  33           HN       SER  33  -3.372   2.384  -0.140
  192    HA   SER  33           HA       SER  33  -5.139   0.032   0.024
  193    HB2  SER  33           HB2      SER  33  -5.586   0.831   2.414
  194    HB3  SER  33           HB1      SER  33  -4.023   0.071   2.119
  195    HG   SER  33           HG       SER  33  -4.132   2.826   1.770
  196    H    VAL  34           HN       VAL  34  -6.788   0.615  -1.189
  197    HA   VAL  34           HA       VAL  34  -8.016   3.241  -0.709
  198    HB   VAL  34           HB       VAL  34  -8.289   1.379  -3.073
  199   HG11  VAL  34          HG11      VAL  34  -9.573   4.062  -2.582
  200   HG12  VAL  34          HG12      VAL  34 -10.401   2.505  -2.629
  201   HG13  VAL  34          HG13      VAL  34  -9.648   3.148  -4.089
  202   HG21  VAL  34          HG21      VAL  34  -7.025   4.103  -2.800
  203   HG22  VAL  34          HG22      VAL  34  -7.188   3.191  -4.301
  204   HG23  VAL  34          HG23      VAL  34  -6.168   2.574  -3.000
  205    H    THR  35           HN       THR  35  -9.573   3.085   0.756
  206    HA   THR  35           HA       THR  35 -11.198   0.637   0.814
  207    HB   THR  35           HB       THR  35 -10.813   2.687   3.013
  208    HG1  THR  35           HG1      THR  35  -9.740   0.045   2.877
  209   HG21  THR  35          HG21      THR  35 -11.858   1.015   4.458
  210   HG22  THR  35          HG22      THR  35 -12.072  -0.060   3.076
  211   HG23  THR  35          HG23      THR  35 -12.943   1.471   3.144
  212    H    GLU  36           HN       GLU  36 -12.800   1.224  -0.678
  213    HA   GLU  36           HA       GLU  36 -14.183   3.765  -0.181
  214    HB2  GLU  36           HB2      GLU  36 -14.239   1.927  -2.578
  215    HB3  GLU  36           HB1      GLU  36 -15.277   3.338  -2.400
  216    HG2  GLU  36           HG2      GLU  36 -13.210   4.721  -2.177
  217    HG3  GLU  36           HG1      GLU  36 -12.278   3.284  -2.589
  218    H    THR  37           HN       THR  37 -15.531   3.471   1.370
  219    HA   THR  37           HA       THR  37 -17.359   1.190   1.282
  220    HB   THR  37           HB       THR  37 -17.959   1.926   3.600
  221    HG1  THR  37           HG1      THR  37 -15.919   3.420   4.246
  222   HG21  THR  37          HG21      THR  37 -16.236   0.210   3.207
  223   HG22  THR  37          HG22      THR  37 -15.896   1.172   4.645
  224   HG23  THR  37          HG23      THR  37 -15.009   1.476   3.151
  225    H    THR  38           HN       THR  38 -19.616   2.010   2.376
  226    HA   THR  38           HA       THR  38 -20.669   4.051   0.634
  227    HB   THR  38           HB       THR  38 -22.750   3.678   2.170
  228    HG1  THR  38           HG1      THR  38 -22.568   1.431   3.050
  229   HG21  THR  38          HG21      THR  38 -21.670   1.468   0.414
  230   HG22  THR  38          HG22      THR  38 -22.606   2.863  -0.125
  231   HG23  THR  38          HG23      THR  38 -23.353   1.647   0.913
  232    H    ASP  39           HN       ASP  39 -18.877   4.067   3.361
  233    HA   ASP  39           HA       ASP  39 -20.017   6.294   4.766
  234    HB2  ASP  39           HB2      ASP  39 -18.437   4.428   5.651
  235    HB3  ASP  39           HB1      ASP  39 -17.156   5.416   4.945
  236    H    LYS  40           HN       LYS  40 -17.163   5.750   2.763
  237    HA   LYS  40           HA       LYS  40 -17.404   8.149   1.305
  238    HB2  LYS  40           HB2      LYS  40 -15.210   9.140   2.268
  239    HB3  LYS  40           HB1      LYS  40 -16.711   9.409   3.146
  240    HG2  LYS  40           HG2      LYS  40 -16.170   7.612   4.673
  241    HG3  LYS  40           HG1      LYS  40 -14.693   7.270   3.772
  242    HD2  LYS  40           HD2      LYS  40 -13.651   9.207   4.504
  243    HD3  LYS  40           HD1      LYS  40 -15.184   9.998   4.894
  244    HE2  LYS  40           HE2      LYS  40 -14.570   7.503   6.343
  245    HE3  LYS  40           HE1      LYS  40 -13.584   8.914   6.756
  246    HZ1  LYS  40           HZ1      LYS  40 -16.536   8.649   6.894
  247    HZ2  LYS  40           HZ2      LYS  40 -15.720  10.127   7.091
  248    HZ3  LYS  40           HZ3      LYS  40 -15.462   8.862   8.188
  249    H    VAL  41           HN       VAL  41 -15.366   8.594   0.062
  250    HA   VAL  41           HA       VAL  41 -14.179   6.046  -0.747
  251    HB   VAL  41           HB       VAL  41 -14.281   8.753  -2.097
  252   HG11  VAL  41          HG11      VAL  41 -12.159   7.663  -2.615
  253   HG12  VAL  41          HG12      VAL  41 -13.220   7.700  -4.023
  254   HG13  VAL  41          HG13      VAL  41 -13.025   6.207  -3.105
  255   HG21  VAL  41          HG21      VAL  41 -15.542   6.106  -2.796
  256   HG22  VAL  41          HG22      VAL  41 -15.681   7.597  -3.728
  257   HG23  VAL  41          HG23      VAL  41 -16.372   7.502  -2.108
  258    H    ILE  42           HN       ILE  42 -12.367   5.547   0.242
  259    HA   ILE  42           HA       ILE  42 -10.605   7.720   1.155
  260    HB   ILE  42           HB       ILE  42 -10.858   4.927   2.283
  261   HG12  ILE  42          HG12      ILE  42 -11.893   7.503   3.479
  262   HG13  ILE  42          HG11      ILE  42 -12.898   6.415   2.528
  263   HG21  ILE  42          HG21      ILE  42  -9.433   7.375   3.318
  264   HG22  ILE  42          HG22      ILE  42  -8.678   5.913   2.681
  265   HG23  ILE  42          HG23      ILE  42  -9.602   5.846   4.182
  266   HD11  ILE  42          HD11      ILE  42 -12.495   4.636   4.160
  267   HD12  ILE  42          HD12      ILE  42 -13.241   6.056   4.893
  268   HD13  ILE  42          HD13      ILE  42 -11.517   5.750   5.116
  269    H    HIS  43           HN       HIS  43  -9.080   7.911  -0.427
  270    HA   HIS  43           HA       HIS  43  -7.661   5.469  -1.261
  271    HB2  HIS  43           HB2      HIS  43  -7.713   8.252  -2.437
  272    HB3  HIS  43           HB1      HIS  43  -6.566   7.020  -2.943
  273    HD1  HIS  43           HD1      HIS  43  -7.276   6.070  -5.100
  274    HD2  HIS  43           HD2      HIS  43 -10.519   6.904  -2.640
  275    HE1  HIS  43           HE1      HIS  43  -9.304   5.354  -6.389
  276    HE2  HIS  43           HE2      HIS  43 -11.219   5.609  -4.775
  277    H    ASN  44           HN       ASN  44  -5.906   4.996  -0.100
  278    HA   ASN  44           HA       ASN  44  -4.147   7.202   0.705
  279    HB2  ASN  44           HB2      ASN  44  -5.152   4.977   2.484
  280    HB3  ASN  44           HB1      ASN  44  -3.674   5.865   2.836
  281   HD21  ASN  44          HD21      ASN  44  -6.212   5.663   4.305
  282   HD22  ASN  44          HD22      ASN  44  -6.746   7.295   4.531
  283    H    SER  45           HN       SER  45  -2.341   6.856  -0.410
  284    HA   SER  45           HA       SER  45  -1.304   4.142  -0.744
  285    HB2  SER  45           HB2      SER  45   0.536   5.428  -2.010
  286    HB3  SER  45           HB1      SER  45  -1.059   5.419  -2.757
  287    HG   SER  45           HG       SER  45  -0.660   7.512  -2.779
  288    H    MET  46           HN       MET  46   0.424   3.381   0.410
  289    HA   MET  46           HA       MET  46   1.743   5.299   2.184
  290    HB2  MET  46           HB2      MET  46   0.504   2.676   3.017
  291    HB3  MET  46           HB1      MET  46   1.679   3.537   3.998
  292    HG2  MET  46           HG2      MET  46  -0.994   4.611   3.134
  293    HG3  MET  46           HG1      MET  46  -0.620   3.944   4.721
  294    HE1  MET  46           HE1      MET  46   1.890   6.543   6.175
  295    HE2  MET  46           HE2      MET  46   2.227   5.011   5.368
  296    HE3  MET  46           HE3      MET  46   0.898   5.127   6.522
  297    H    CYS  47           HN       CYS  47   3.833   4.862   2.642
  298    HA   CYS  47           HA       CYS  47   5.180   2.888   1.029
  299    HB2  CYS  47           HB2      CYS  47   7.223   3.778   2.309
  300    HB3  CYS  47           HB1      CYS  47   6.414   4.882   1.201
  301    H    ILE  48           HN       ILE  48   5.530   0.884   1.627
  302    HA   ILE  48           HA       ILE  48   4.981   0.210   4.422
  303    HB   ILE  48           HB       ILE  48   3.905  -0.859   2.095
  304   HG12  ILE  48          HG12      ILE  48   3.952  -1.609   4.963
  305   HG13  ILE  48          HG11      ILE  48   2.596  -1.145   3.943
  306   HG21  ILE  48          HG21      ILE  48   5.929  -2.098   1.588
  307   HG22  ILE  48          HG22      ILE  48   4.603  -3.186   1.994
  308   HG23  ILE  48          HG23      ILE  48   5.872  -2.866   3.176
  309   HD11  ILE  48          HD11      ILE  48   2.619  -3.348   2.896
  310   HD12  ILE  48          HD12      ILE  48   2.403  -3.458   4.641
  311   HD13  ILE  48          HD13      ILE  48   3.975  -3.823   3.921
  312    H    ALA  49           HN       ALA  49   6.779  -0.053   5.610
  313    HA   ALA  49           HA       ALA  49   9.290  -0.622   4.389
  314    HB1  ALA  49           HB1      ALA  49  10.157  -0.734   6.693
  315    HB2  ALA  49           HB2      ALA  49   8.508  -0.670   7.316
  316    HB3  ALA  49           HB3      ALA  49   9.176   0.710   6.443
  317    H    GLU  50           HN       GLU  50  10.622  -2.499   5.165
  318    HA   GLU  50           HA       GLU  50   9.269  -4.833   4.345
  319    HB2  GLU  50           HB2      GLU  50  11.737  -4.421   4.164
  320    HB3  GLU  50           HB1      GLU  50  11.844  -4.817   5.878
  321    HG2  GLU  50           HG2      GLU  50  10.889  -7.016   5.435
  322    HG3  GLU  50           HG1      GLU  50  10.775  -6.622   3.723
  323    H    ILE  51           HN       ILE  51  10.071  -3.597   7.530
  324    HA   ILE  51           HA       ILE  51   9.147  -5.770   9.047
  325    HB   ILE  51           HB       ILE  51   8.859  -4.227  10.897
  326   HG12  ILE  51          HG12      ILE  51   9.558  -1.901   9.138
  327   HG13  ILE  51          HG11      ILE  51   7.880  -2.425   9.254
  328   HG21  ILE  51          HG21      ILE  51  11.128  -4.924  10.306
  329   HG22  ILE  51          HG22      ILE  51  11.110  -3.299  10.990
  330   HG23  ILE  51          HG23      ILE  51  11.284  -3.517   9.250
  331   HD11  ILE  51          HD11      ILE  51   9.614  -1.622  11.577
  332   HD12  ILE  51          HD12      ILE  51   7.908  -2.079  11.642
  333   HD13  ILE  51          HD13      ILE  51   8.398  -0.609  10.798
  334    H    ASP  52           HN       ASP  52   7.456  -3.441   7.154
  335    HA   ASP  52           HA       ASP  52   4.932  -3.861   8.526
  336    HB2  ASP  52           HB2      ASP  52   5.651  -2.204   6.105
  337    HB3  ASP  52           HB1      ASP  52   4.015  -2.354   6.730
  338    H    LEU  53           HN       LEU  53   6.725  -5.567   6.345
  339    HA   LEU  53           HA       LEU  53   4.532  -6.582   4.769
  340    HB2  LEU  53           HB2      LEU  53   7.421  -7.225   5.071
  341    HB3  LEU  53           HB1      LEU  53   6.374  -8.523   4.547
  342    HG   LEU  53           HG       LEU  53   5.695  -7.222   2.601
  343   HD11  LEU  53          HD11      LEU  53   5.830  -4.993   3.533
  344   HD12  LEU  53          HD12      LEU  53   6.805  -5.108   2.067
  345   HD13  LEU  53          HD13      LEU  53   7.583  -5.129   3.647
  346   HD21  LEU  53          HD21      LEU  53   7.639  -8.668   2.409
  347   HD22  LEU  53          HD22      LEU  53   8.686  -7.359   2.962
  348   HD23  LEU  53          HD23      LEU  53   7.842  -7.222   1.418
  349    H    ILE  54           HN       ILE  54   2.979  -7.451   5.958
  350    HA   ILE  54           HA       ILE  54   3.724  -9.399   8.039
  351    HB   ILE  54           HB       ILE  54   1.129  -7.945   8.211
  352   HG12  ILE  54          HG12      ILE  54   3.735  -6.694   9.165
  353   HG13  ILE  54          HG11      ILE  54   2.786  -6.119   7.783
  354   HG21  ILE  54          HG21      ILE  54   1.673  -9.744   9.754
  355   HG22  ILE  54          HG22      ILE  54   1.525  -8.206  10.604
  356   HG23  ILE  54          HG23      ILE  54   3.122  -8.878  10.270
  357   HD11  ILE  54          HD11      ILE  54   0.918  -5.639   9.271
  358   HD12  ILE  54          HD12      ILE  54   2.378  -4.778   9.764
  359   HD13  ILE  54          HD13      ILE  54   1.858  -6.213  10.647
  360    HA   PRO  55           HA       PRO  55   3.962 -11.355   8.074
  361    HB2  PRO  55           HB2      PRO  55   4.001 -13.598   6.203
  362    HB3  PRO  55           HB1      PRO  55   3.838 -13.616   7.961
  363    HG2  PRO  55           HG2      PRO  55   1.800 -14.265   6.306
  364    HG3  PRO  55           HG1      PRO  55   1.546 -13.497   7.883
  365    HD2  PRO  55           HD2      PRO  55   1.544 -12.260   5.151
  366    HD3  PRO  55           HD1      PRO  55   0.443 -11.973   6.518
  367    H    ARG  56           HN       ARG  56   6.166 -12.066   7.261
  368    HA   ARG  56           HA       ARG  56   7.046 -10.014   5.504
  369    HB2  ARG  56           HB2      ARG  56   8.273 -10.977   7.505
  370    HB3  ARG  56           HB1      ARG  56   8.686 -12.347   6.485
  371    HG2  ARG  56           HG2      ARG  56   9.836 -10.831   4.937
  372    HG3  ARG  56           HG1      ARG  56   9.443  -9.471   5.993
  373    HD2  ARG  56           HD2      ARG  56  10.659 -10.665   7.823
  374    HD3  ARG  56           HD1      ARG  56  11.180 -11.851   6.630
  375    HE   ARG  56           HE       ARG  56  11.817  -9.028   6.176
  376   HH11  ARG  56          HH11      ARG  56  12.887 -12.264   6.972
  377   HH12  ARG  56          HH12      ARG  56  14.569 -11.906   6.710
  378   HH21  ARG  56          HH21      ARG  56  14.026  -8.550   5.833
  379   HH22  ARG  56          HH22      ARG  56  15.211  -9.812   6.051
  380    H    ASP  57           HN       ASP  57   6.042 -13.238   4.908
  381    HA   ASP  57           HA       ASP  57   7.637 -13.679   2.549
  382    HB2  ASP  57           HB2      ASP  57   5.116 -15.061   3.514
  383    HB3  ASP  57           HB1      ASP  57   6.066 -15.573   2.126
  384    H    ARG  58           HN       ARG  58   4.427 -12.666   3.342
  385    HA   ARG  58           HA       ARG  58   4.160 -11.104   0.950
  386    HB2  ARG  58           HB2      ARG  58   3.467 -13.440   0.252
  387    HB3  ARG  58           HB1      ARG  58   2.160 -13.319   1.435
  388    HG2  ARG  58           HG2      ARG  58   1.252 -11.411   0.274
  389    HG3  ARG  58           HG1      ARG  58   2.576 -11.464  -0.890
  390    HD2  ARG  58           HD2      ARG  58   0.612 -12.493  -1.853
  391    HD3  ARG  58           HD1      ARG  58   1.845 -13.720  -1.572
  392    HE   ARG  58           HE       ARG  58   0.461 -14.040   0.628
  393   HH11  ARG  58          HH11      ARG  58  -0.727 -13.484  -2.626
  394   HH12  ARG  58          HH12      ARG  58  -2.251 -14.274  -2.333
  395   HH21  ARG  58          HH21      ARG  58  -1.540 -15.118   0.987
  396   HH22  ARG  58          HH22      ARG  58  -2.696 -15.210  -0.308
  397    HA   PRO  59           HA       PRO  59   2.152  -9.008   4.417
  398    HB2  PRO  59           HB2      PRO  59   1.396  -6.952   2.606
  399    HB3  PRO  59           HB1      PRO  59   2.659  -6.900   3.853
  400    HG2  PRO  59           HG2      PRO  59   2.946  -7.211   0.964
  401    HG3  PRO  59           HG1      PRO  59   4.174  -6.821   2.170
  402    HD2  PRO  59           HD2      PRO  59   3.960  -9.234   0.828
  403    HD3  PRO  59           HD1      PRO  59   4.833  -8.990   2.351
  404    H    PHE  60           HN       PHE  60   0.306 -10.183   4.732
  405    HA   PHE  60           HA       PHE  60  -1.696 -10.449   2.760
  406    HB2  PHE  60           HB2      PHE  60  -2.964 -11.568   4.335
  407    HB3  PHE  60           HB1      PHE  60  -1.339 -11.837   4.923
  408    HD1  PHE  60           HD1      PHE  60  -3.985  -9.240   5.346
  409    HD2  PHE  60           HD2      PHE  60  -1.102 -11.767   7.215
  410    HE1  PHE  60           HE1      PHE  60  -4.605  -8.314   7.539
  411    HE2  PHE  60           HE2      PHE  60  -1.718 -10.828   9.415
  412    HZ   PHE  60           HZ       PHE  60  -3.539  -9.272   9.620
  413    H    VAL  61           HN       VAL  61  -0.684  -7.856   4.648
  414    HA   VAL  61           HA       VAL  61  -3.004  -6.323   4.910
  415    HB   VAL  61           HB       VAL  61  -0.287  -5.233   4.152
  416   HG11  VAL  61          HG11      VAL  61  -0.983  -3.293   5.484
  417   HG12  VAL  61          HG12      VAL  61  -2.546  -4.059   5.771
  418   HG13  VAL  61          HG13      VAL  61  -2.080  -3.590   4.136
  419   HG21  VAL  61          HG21      VAL  61  -1.288  -6.030   6.882
  420   HG22  VAL  61          HG22      VAL  61   0.202  -5.141   6.563
  421   HG23  VAL  61          HG23      VAL  61   0.021  -6.794   5.977
  422    H    CYS  62           HN       CYS  62  -1.177  -7.279   2.148
  423    HA   CYS  62           HA       CYS  62  -2.473  -5.373   0.401
  424    HB2  CYS  62           HB2      CYS  62  -0.022  -6.141   0.216
  425    HB3  CYS  62           HB1      CYS  62  -0.671  -7.626  -0.469
  426    H    ALA  63           HN       ALA  63  -3.630  -7.783   1.886
  427    HA   ALA  63           HA       ALA  63  -5.876  -8.128   0.243
  428    HB1  ALA  63           HB1      ALA  63  -5.742 -10.439  -0.435
  429    HB2  ALA  63           HB2      ALA  63  -4.131 -10.590   0.269
  430    HB3  ALA  63           HB3      ALA  63  -4.388  -9.546  -1.129
  431    HA   PRO  64           HA       PRO  64  -5.734  -9.189   4.738
  432    HB2  PRO  64           HB2      PRO  64  -7.593  -7.086   5.323
  433    HB3  PRO  64           HB1      PRO  64  -5.867  -7.146   5.675
  434    HG2  PRO  64           HG2      PRO  64  -7.036  -5.421   3.873
  435    HG3  PRO  64           HG1      PRO  64  -5.331  -5.897   3.851
  436    HD2  PRO  64           HD2      PRO  64  -7.608  -6.919   2.201
  437    HD3  PRO  64           HD1      PRO  64  -5.923  -6.605   1.731
  438    H    SER  65           HN       SER  65  -7.817 -10.009   2.566
  439    HA   SER  65           HA       SER  65  -9.719 -11.253   2.497
  440    HB2  SER  65           HB2      SER  65  -8.718 -12.450   4.428
  441    HB3  SER  65           HB1      SER  65  -9.476 -11.296   5.523
  442    HG   SER  65           HG       SER  65 -11.150 -12.530   5.466
  443    H    SER  66           HN       SER  66  -9.541  -8.266   3.130
  444    HA   SER  66           HA       SER  66 -11.945  -7.536   4.454
  445    HB2  SER  66           HB2      SER  66 -10.061  -6.009   2.643
  446    HB3  SER  66           HB1      SER  66 -11.389  -5.266   3.547
  447    HG   SER  66           HG       SER  66 -10.142  -6.603   5.352
  448    H    LYS  67           HN       LYS  67 -13.704  -8.506   3.492
  449    HA   LYS  67           HA       LYS  67 -14.007  -8.449   0.605
  450    HB2  LYS  67           HB2      LYS  67 -15.925  -9.537   2.673
  451    HB3  LYS  67           HB1      LYS  67 -15.893  -9.907   0.955
  452    HG2  LYS  67           HG2      LYS  67 -13.825 -11.098   1.189
  453    HG3  LYS  67           HG1      LYS  67 -13.682 -10.595   2.875
  454    HD2  LYS  67           HD2      LYS  67 -15.889 -11.779   3.267
  455    HD3  LYS  67           HD1      LYS  67 -15.687 -12.478   1.660
  456    HE2  LYS  67           HE2      LYS  67 -14.881 -13.984   3.415
  457    HE3  LYS  67           HE1      LYS  67 -13.577 -13.480   2.340
  458    HZ1  LYS  67           HZ1      LYS  67 -14.139 -12.166   4.942
  459    HZ2  LYS  67           HZ2      LYS  67 -12.769 -11.974   3.965
  460    HZ3  LYS  67           HZ3      LYS  67 -13.037 -13.442   4.766
  461    H    THR  68           HN       THR  68 -16.360  -7.812   3.183
  462    HA   THR  68           HA       THR  68 -17.234  -5.443   1.680
  463    HB   THR  68           HB       THR  68 -18.819  -7.365   1.420
  464    HG1  THR  68           HG1      THR  68 -20.116  -5.359   2.945
  465   HG21  THR  68          HG21      THR  68 -18.549  -8.389   3.617
  466   HG22  THR  68          HG22      THR  68 -20.240  -7.986   3.315
  467   HG23  THR  68          HG23      THR  68 -19.267  -6.969   4.378
  468    H    GLY  69           HN       GLY  69 -18.453  -3.877   3.074
  469    HA2  GLY  69           HA2      GLY  69 -18.591  -2.605   5.016
  470    HA3  GLY  69           HA1      GLY  69 -17.782  -3.903   5.890
  471    H    SER  70           HN       SER  70 -16.212  -3.186   3.057
  472    HA   SER  70           HA       SER  70 -14.498  -1.091   4.031
  473    HB2  SER  70           HB2      SER  70 -12.445  -2.561   3.859
  474    HB3  SER  70           HB1      SER  70 -13.485  -2.895   5.244
  475    HG   SER  70           HG       SER  70 -13.449  -4.868   4.514
  476    H    VAL  71           HN       VAL  71 -14.266  -3.847   1.791
  477    HA   VAL  71           HA       VAL  71 -13.791  -3.997  -0.417
  478    HB   VAL  71           HB       VAL  71 -15.053  -1.273  -0.724
  479   HG11  VAL  71          HG11      VAL  71 -13.883  -2.059  -2.697
  480   HG12  VAL  71          HG12      VAL  71 -15.626  -2.086  -2.969
  481   HG13  VAL  71          HG13      VAL  71 -14.763  -3.587  -2.632
  482   HG21  VAL  71          HG21      VAL  71 -17.178  -2.459  -1.133
  483   HG22  VAL  71          HG22      VAL  71 -16.597  -2.664   0.520
  484   HG23  VAL  71          HG23      VAL  71 -16.403  -3.968  -0.652
  485    H    THR  72           HN       THR  72 -11.655  -3.773   0.506
  486    HA   THR  72           HA       THR  72 -10.379  -1.186   0.021
  487    HB   THR  72           HB       THR  72  -9.435  -3.521   1.695
  488    HG1  THR  72           HG1      THR  72 -11.256  -1.725   2.202
  489   HG21  THR  72          HG21      THR  72  -8.315  -0.726   1.433
  490   HG22  THR  72          HG22      THR  72  -7.569  -2.191   0.796
  491   HG23  THR  72          HG23      THR  72  -7.735  -1.972   2.537
  492    H    THR  73           HN       THR  73  -9.431  -1.036  -1.852
  493    HA   THR  73           HA       THR  73  -8.533  -3.452  -3.222
  494    HB   THR  73           HB       THR  73  -8.346  -1.916  -5.209
  495    HG1  THR  73           HG1      THR  73  -8.696   0.168  -4.958
  496   HG21  THR  73          HG21      THR  73 -10.802  -1.695  -5.501
  497   HG22  THR  73          HG22      THR  73 -11.012  -2.087  -3.790
  498   HG23  THR  73          HG23      THR  73 -10.327  -3.280  -4.894
  499    H    THR  74           HN       THR  74  -6.588  -3.989  -2.505
  500    HA   THR  74           HA       THR  74  -4.680  -1.896  -1.809
  501    HB   THR  74           HB       THR  74  -3.461  -3.986  -0.827
  502    HG1  THR  74           HG1      THR  74  -4.668  -5.665  -1.577
  503   HG21  THR  74          HG21      THR  74  -4.449  -2.214   0.531
  504   HG22  THR  74          HG22      THR  74  -4.777  -3.794   1.241
  505   HG23  THR  74          HG23      THR  74  -6.042  -2.945   0.352
  506    H    TYR  75           HN       TYR  75  -2.667  -1.747  -2.672
  507    HA   TYR  75           HA       TYR  75  -1.932  -3.711  -4.724
  508    HB2  TYR  75           HB2      TYR  75  -2.675  -1.639  -5.841
  509    HB3  TYR  75           HB1      TYR  75  -1.465  -0.729  -4.935
  510    HD1  TYR  75           HD2      TYR  75  -1.671  -3.733  -7.145
  511    HD2  TYR  75           HD1      TYR  75   0.553  -0.297  -5.999
  512    HE1  TYR  75           HE2      TYR  75  -0.016  -4.237  -8.888
  513    HE2  TYR  75           HE1      TYR  75   2.220  -0.794  -7.737
  514    HH   TYR  75           HH       TYR  75   1.669  -3.052 -10.222
  515    H    CYS  76           HN       CYS  76   0.233  -4.287  -4.762
  516    HA   CYS  76           HA       CYS  76   2.098  -2.803  -3.075
  517    HB2  CYS  76           HB2      CYS  76   3.019  -5.212  -2.489
  518    HB3  CYS  76           HB1      CYS  76   1.772  -4.451  -1.512
  519    H    CYS  77           HN       CYS  77   4.080  -2.585  -3.945
  520    HA   CYS  77           HA       CYS  77   4.844  -4.300  -6.195
  521    HB2  CYS  77           HB2      CYS  77   3.532  -2.374  -7.096
  522    HB3  CYS  77           HB1      CYS  77   4.724  -1.287  -6.400
  523    H    ASN  78           HN       ASN  78   7.083  -4.346  -6.566
  524    HA   ASN  78           HA       ASN  78   8.589  -3.434  -4.226
  525    HB2  ASN  78           HB2      ASN  78   9.269  -5.477  -6.347
  526    HB3  ASN  78           HB1      ASN  78  10.342  -5.025  -5.027
  527   HD21  ASN  78          HD21      ASN  78   9.824  -5.649  -2.919
  528   HD22  ASN  78          HD22      ASN  78   8.667  -6.897  -2.592
  529    H    GLN  79           HN       GLN  79   7.906  -2.188  -7.125
  530    HA   GLN  79           HA       GLN  79  10.593  -1.252  -7.757
  531    HB2  GLN  79           HB2      GLN  79   7.934  -0.969  -9.142
  532    HB3  GLN  79           HB1      GLN  79   9.337  -0.033  -9.632
  533    HG2  GLN  79           HG2      GLN  79   9.143  -1.919 -11.069
  534    HG3  GLN  79           HG1      GLN  79  10.549  -2.157 -10.039
  535   HE21  GLN  79          HE21      GLN  79   7.315  -3.199 -10.775
  536   HE22  GLN  79          HE22      GLN  79   7.385  -4.690  -9.899
  537    H    ASP  80           HN       ASP  80  11.041   1.046  -7.952
  538    HA   ASP  80           HA       ASP  80  10.183   2.510  -5.681
  539    HB2  ASP  80           HB2      ASP  80  12.387   2.910  -6.507
  540    HB3  ASP  80           HB1      ASP  80  11.783   3.295  -8.116
  541    H    HIS  81           HN       HIS  81   8.649   4.045  -5.410
  542    HA   HIS  81           HA       HIS  81   6.826   5.345  -5.777
  543    HB2  HIS  81           HB2      HIS  81   8.348   5.738  -8.324
  544    HB3  HIS  81           HB1      HIS  81   6.738   6.428  -8.155
  545    HD1  HIS  81           HD1      HIS  81  10.250   6.788  -6.957
  546    HD2  HIS  81           HD2      HIS  81   6.531   8.541  -6.326
  547    HE1  HIS  81           HE1      HIS  81  10.710   8.942  -5.747
  548    HE2  HIS  81           HE2      HIS  81   8.470  10.102  -5.629
  549    H    CYS  82           HN       CYS  82   6.875   2.442  -6.618
  550    HA   CYS  82           HA       CYS  82   4.997   2.347  -8.824
  551    HB2  CYS  82           HB2      CYS  82   6.973   0.814  -8.591
  552    HB3  CYS  82           HB1      CYS  82   6.184   0.094  -7.197
  553    H    ASN  83           HN       ASN  83   3.875   3.635  -6.626
  554    HA   ASN  83           HA       ASN  83   1.760   1.698  -6.031
  555    HB2  ASN  83           HB2      ASN  83   1.484   2.511  -3.767
  556    HB3  ASN  83           HB1      ASN  83   3.126   1.932  -3.993
  557   HD21  ASN  83          HD21      ASN  83   1.970   3.764  -2.039
  558   HD22  ASN  83          HD22      ASN  83   2.886   5.228  -2.155
  559    H    LYS  84           HN       LYS  84   2.019   3.710  -8.065
  560    HA   LYS  84           HA       LYS  84  -0.145   5.525  -7.269
  561    HB2  LYS  84           HB2      LYS  84   0.365   6.869  -9.181
  562    HB3  LYS  84           HB1      LYS  84   1.872   6.522  -8.352
  563    HG2  LYS  84           HG2      LYS  84   2.325   4.746 -10.014
  564    HG3  LYS  84           HG1      LYS  84   0.866   5.238 -10.878
  565    HD2  LYS  84           HD2      LYS  84   1.854   7.558 -10.976
  566    HD3  LYS  84           HD1      LYS  84   3.363   6.850 -10.399
  567    HE2  LYS  84           HE2      LYS  84   3.436   7.022 -12.794
  568    HE3  LYS  84           HE1      LYS  84   3.340   5.321 -12.335
  569    HZ1  LYS  84           HZ1      LYS  84   1.871   5.924 -14.206
  570    HZ2  LYS  84           HZ2      LYS  84   1.010   6.965 -13.174
  571    HZ3  LYS  84           HZ3      LYS  84   1.019   5.297 -12.880
  572    H    ILE  85           HN       ILE  85   0.490   2.664  -9.002
  573    HA   ILE  85           HA       ILE  85  -1.945   2.890 -10.568
  574    HB   ILE  85           HB       ILE  85  -1.319   0.725 -11.575
  575   HG12  ILE  85          HG12      ILE  85   0.026  -0.184  -9.674
  576   HG13  ILE  85          HG11      ILE  85   0.835  -0.303 -11.229
  577   HG21  ILE  85          HG21      ILE  85  -0.675   2.762 -12.670
  578   HG22  ILE  85          HG22      ILE  85   0.595   1.555 -12.874
  579   HG23  ILE  85          HG23      ILE  85   0.797   2.857 -11.702
  580   HD11  ILE  85          HD11      ILE  85   2.178   1.682 -10.641
  581   HD12  ILE  85          HD12      ILE  85   2.408   0.329  -9.533
  582   HD13  ILE  85          HD13      ILE  85   1.404   1.698  -9.054
  583    H    GLU  86           HN       GLU  86  -3.623   2.677  -9.208
  584    HA   GLU  86           HA       GLU  86  -3.644   0.964  -6.961
  585    HB2  GLU  86           HB2      GLU  86  -5.129   2.976  -7.303
  586    HB3  GLU  86           HB1      GLU  86  -6.065   2.003  -8.431
  587    HG2  GLU  86           HG2      GLU  86  -6.240   0.327  -6.463
  588    HG3  GLU  86           HG1      GLU  86  -5.780   1.718  -5.477
  589    H    LEU  87           HN       LEU  87  -4.773  -0.990  -6.658
  590    HA   LEU  87           HA       LEU  87  -5.038  -2.535  -9.138
  591    HB2  LEU  87           HB2      LEU  87  -3.461  -3.035  -6.995
  592    HB3  LEU  87           HB1      LEU  87  -4.905  -3.912  -6.528
  593    HG   LEU  87           HG       LEU  87  -4.801  -5.196  -8.624
  594   HD11  LEU  87          HD11      LEU  87  -2.245  -3.646  -9.068
  595   HD12  LEU  87          HD12      LEU  87  -3.713  -3.557 -10.041
  596   HD13  LEU  87          HD13      LEU  87  -2.767  -5.045 -10.012
  597   HD21  LEU  87          HD21      LEU  87  -2.822  -6.526  -8.046
  598   HD22  LEU  87          HD22      LEU  87  -3.746  -6.078  -6.612
  599   HD23  LEU  87          HD23      LEU  87  -2.254  -5.223  -7.001
  600    HA   PRO  88           HA       PRO  88  -9.417  -2.625  -8.131
  601    HB2  PRO  88           HB2      PRO  88 -10.119  -4.288 -10.181
  602    HB3  PRO  88           HB1      PRO  88  -9.870  -2.551 -10.379
  603    HG2  PRO  88           HG2      PRO  88  -8.024  -4.815 -11.006
  604    HG3  PRO  88           HG1      PRO  88  -8.330  -3.329 -11.923
  605    HD2  PRO  88           HD2      PRO  88  -6.141  -3.664 -10.357
  606    HD3  PRO  88           HD1      PRO  88  -6.899  -2.084 -10.623
  607    H    THR  89           HN       THR  89  -7.103  -5.081  -8.145
  608    HA   THR  89           HA       THR  89  -8.695  -7.299  -7.374
  609    HB   THR  89           HB       THR  89  -5.810  -6.861  -6.606
  610    HG1  THR  89           HG1      THR  89  -6.575  -8.035  -9.068
  611   HG21  THR  89          HG21      THR  89  -5.679  -9.296  -6.924
  612   HG22  THR  89          HG22      THR  89  -7.392  -9.330  -7.340
  613   HG23  THR  89          HG23      THR  89  -6.888  -8.866  -5.715
  614    H    THR  90           HN       THR  90  -9.954  -7.170  -5.623
  615    HA   THR  90           HA       THR  90  -8.860  -5.848  -3.229
  616    HB   THR  90           HB       THR  90 -10.755  -4.608  -4.212
  617    HG1  THR  90           HG1      THR  90 -10.489  -4.540  -1.954
  618   HG21  THR  90          HG21      THR  90 -12.354  -7.099  -3.622
  619   HG22  THR  90          HG22      THR  90 -11.960  -6.478  -5.226
  620   HG23  THR  90          HG23      THR  90 -13.014  -5.553  -4.156
  621    H    VAL  91           HN       VAL  91  -9.830  -6.631  -1.199
  622    HA   VAL  91           HA       VAL  91 -10.153  -8.174   0.371
  623    HB   VAL  91           HB       VAL  91 -11.719  -9.800   0.201
  624   HG11  VAL  91          HG11      VAL  91 -12.327  -8.084  -2.196
  625   HG12  VAL  91          HG12      VAL  91 -12.726  -7.732  -0.514
  626   HG13  VAL  91          HG13      VAL  91 -13.490  -9.091  -1.334
  627   HG21  VAL  91          HG21      VAL  91 -10.993 -10.327  -2.675
  628   HG22  VAL  91          HG22      VAL  91 -12.281 -11.136  -1.781
  629   HG23  VAL  91          HG23      VAL  91 -10.602 -11.334  -1.281
  630    HN1  NH2  92           HN1      NH2  92  -8.823  -9.737  -2.570
  Start of MODEL    5
    1    H1   GLY   5           HN       GLY   5  15.331   2.734  -7.175
    2    HA2  GLY   5           HA2      GLY   5  17.224   1.013  -5.704
    3    HA3  GLY   5           HA1      GLY   5  16.243   2.208  -4.864
    4    H    SER   6           HN       SER   6  15.242   0.196  -7.569
    5    HA   SER   6           HA       SER   6  12.861  -0.636  -6.355
    6    HB2  SER   6           HB2      SER   6  14.394  -1.985  -8.593
    7    HB3  SER   6           HB1      SER   6  12.689  -2.226  -8.212
    8    HG   SER   6           HG       SER   6  13.407   0.418  -8.558
    9    H    ALA   7           HN       ALA   7  12.503  -2.065  -4.825
   10    HA   ALA   7           HA       ALA   7  12.729  -3.727  -3.307
   11    HB1  ALA   7           HB1      ALA   7  14.701  -4.922  -5.249
   12    HB2  ALA   7           HB2      ALA   7  12.959  -5.200  -5.242
   13    HB3  ALA   7           HB3      ALA   7  13.945  -5.748  -3.885
   14    H    THR   8           HN       THR   8  14.756  -1.396  -3.671
   15    HA   THR   8           HA       THR   8  16.300  -2.134  -1.318
   16    HB   THR   8           HB       THR   8  17.678  -0.972  -3.749
   17    HG1  THR   8           HG1      THR   8  17.096  -3.554  -3.078
   18   HG21  THR   8          HG21      THR   8  18.790  -2.037  -1.145
   19   HG22  THR   8          HG22      THR   8  18.652  -0.332  -1.574
   20   HG23  THR   8          HG23      THR   8  19.730  -1.389  -2.490
   21    H    ALA   9           HN       ALA   9  14.942  -0.697  -0.299
   22    HA   ALA   9           HA       ALA   9  14.252   1.275   0.581
   23    HB1  ALA   9           HB1      ALA   9  15.600   3.285   0.328
   24    HB2  ALA   9           HB2      ALA   9  16.513   2.524  -0.976
   25    HB3  ALA   9           HB3      ALA   9  16.619   1.885   0.664
   26    H    LEU  10           HN       LEU  10  12.302   1.054  -0.535
   27    HA   LEU  10           HA       LEU  10  11.963   2.368  -3.104
   28    HB2  LEU  10           HB2      LEU  10  10.041   0.906  -1.294
   29    HB3  LEU  10           HB1      LEU  10   9.529   1.731  -2.749
   30    HG   LEU  10           HG       LEU  10   9.678  -0.539  -3.330
   31   HD11  LEU  10          HD11      LEU  10  11.470  -0.606  -4.987
   32   HD12  LEU  10          HD12      LEU  10  12.247   0.776  -4.216
   33   HD13  LEU  10          HD13      LEU  10  10.668   0.966  -4.976
   34   HD21  LEU  10          HD21      LEU  10  12.420  -0.592  -2.061
   35   HD22  LEU  10          HD22      LEU  10  11.641  -1.934  -2.902
   36   HD23  LEU  10          HD23      LEU  10  10.955  -1.318  -1.397
   37    H    GLN  11           HN       GLN  11  11.198   4.384  -3.380
   38    HA   GLN  11           HA       GLN  11  10.169   5.766  -0.990
   39    HB2  GLN  11           HB2      GLN  11  12.140   6.805  -2.033
   40    HB3  GLN  11           HB1      GLN  11  11.278   6.924  -3.558
   41    HG2  GLN  11           HG2      GLN  11   9.632   8.398  -2.427
   42    HG3  GLN  11           HG1      GLN  11  10.657   8.360  -0.995
   43   HE21  GLN  11          HE21      GLN  11  12.635   9.413  -1.026
   44   HE22  GLN  11          HE22      GLN  11  13.054  10.563  -2.246
   45    H    CYS  12           HN       CYS  12   8.011   5.387  -0.972
   46    HA   CYS  12           HA       CYS  12   6.565   5.752  -3.522
   47    HB2  CYS  12           HB2      CYS  12   5.450   4.234  -1.171
   48    HB3  CYS  12           HB1      CYS  12   4.971   4.137  -2.874
   49    H    PHE  13           HN       PHE  13   4.710   6.974  -3.560
   50    HA   PHE  13           HA       PHE  13   4.637   9.285  -2.046
   51    HB2  PHE  13           HB2      PHE  13   3.493   9.465  -4.040
   52    HB3  PHE  13           HB1      PHE  13   2.748   7.881  -3.874
   53    HD1  PHE  13           HD1      PHE  13   2.666  11.315  -2.494
   54    HD2  PHE  13           HD2      PHE  13   0.525   7.706  -3.210
   55    HE1  PHE  13           HE1      PHE  13   0.583  12.406  -1.754
   56    HE2  PHE  13           HE2      PHE  13  -1.560   8.789  -2.477
   57    HZ   PHE  13           HZ       PHE  13  -1.570  11.061  -1.737
   58    H    CYS  14           HN       CYS  14   3.616   9.955  -0.224
   59    HA   CYS  14           HA       CYS  14   2.111   7.930   1.274
   60    HB2  CYS  14           HB2      CYS  14   4.205   7.819   2.300
   61    HB3  CYS  14           HB1      CYS  14   4.475   9.555   2.154
   62    H    HIS  15           HN       HIS  15   0.223   8.629   2.058
   63    HA   HIS  15           HA       HIS  15  -0.620  11.270   1.335
   64    HB2  HIS  15           HB2      HIS  15  -2.797  10.588   1.751
   65    HB3  HIS  15           HB1      HIS  15  -2.016   9.075   1.310
   66    HD1  HIS  15           HD1      HIS  15  -4.172  10.523   3.783
   67    HD2  HIS  15           HD2      HIS  15  -1.245   7.560   3.800
   68    HE1  HIS  15           HE1      HIS  15  -4.570   9.183   5.873
   69    HE2  HIS  15           HE2      HIS  15  -2.911   7.291   5.770
   70    H    LEU  16           HN       LEU  16   0.574   9.852   4.238
   71    HA   LEU  16           HA       LEU  16  -0.637  11.933   5.888
   72    HB2  LEU  16           HB2      LEU  16  -0.823   9.568   6.593
   73    HB3  LEU  16           HB1      LEU  16   0.925   9.468   6.673
   74    HG   LEU  16           HG       LEU  16   0.922  11.175   8.444
   75   HD11  LEU  16          HD11      LEU  16  -1.160  12.305   7.827
   76   HD12  LEU  16          HD12      LEU  16  -1.164  11.812   9.521
   77   HD13  LEU  16          HD13      LEU  16  -2.075  10.884   8.329
   78   HD21  LEU  16          HD21      LEU  16   0.963   8.835   9.053
   79   HD22  LEU  16          HD22      LEU  16  -0.797   8.757   8.962
   80   HD23  LEU  16          HD23      LEU  16  -0.021   9.737  10.207
   81    H    CYS  17           HN       CYS  17   2.153  11.308   4.184
   82    HA   CYS  17           HA       CYS  17   3.932  12.679   6.009
   83    HB2  CYS  17           HB2      CYS  17   4.462  11.585   3.250
   84    HB3  CYS  17           HB1      CYS  17   5.657  12.105   4.438
   85    H    THR  18           HN       THR  18   4.802  14.663   5.623
   86    HA   THR  18           HA       THR  18   3.582  16.169   3.407
   87    HB   THR  18           HB       THR  18   3.988  18.082   5.234
   88    HG1  THR  18           HG1      THR  18   3.091  15.873   6.779
   89   HG21  THR  18          HG21      THR  18   1.558  16.305   5.054
   90   HG22  THR  18          HG22      THR  18   1.912  17.683   4.013
   91   HG23  THR  18          HG23      THR  18   1.584  17.936   5.726
   92    H    LYS  19           HN       LYS  19   6.015  17.035   5.870
   93    HA   LYS  19           HA       LYS  19   7.737  18.096   3.811
   94    HB2  LYS  19           HB2      LYS  19   8.039  17.847   6.806
   95    HB3  LYS  19           HB1      LYS  19   9.315  18.483   5.781
   96    HG2  LYS  19           HG2      LYS  19   6.553  19.662   5.957
   97    HG3  LYS  19           HG1      LYS  19   7.937  20.213   6.902
   98    HD2  LYS  19           HD2      LYS  19   8.400  21.587   5.209
   99    HD3  LYS  19           HD1      LYS  19   8.880  20.154   4.298
  100    HE2  LYS  19           HE2      LYS  19   7.312  21.459   3.002
  101    HE3  LYS  19           HE1      LYS  19   6.571  19.931   3.477
  102    HZ1  LYS  19           HZ1      LYS  19   6.155  22.512   4.891
  103    HZ2  LYS  19           HZ2      LYS  19   5.357  21.044   5.199
  104    HZ3  LYS  19           HZ3      LYS  19   5.090  21.863   3.737
  105    H    ASP  20           HN       ASP  20   7.027  15.174   4.507
  106    HA   ASP  20           HA       ASP  20   9.618  13.923   4.557
  107    HB2  ASP  20           HB2      ASP  20   6.855  12.802   4.023
  108    HB3  ASP  20           HB1      ASP  20   8.286  11.852   4.383
  109    H    ASN  21           HN       ASN  21   8.536  15.814   2.386
  110    HA   ASN  21           HA       ASN  21   8.740  16.132   0.147
  111    HB2  ASN  21           HB2      ASN  21  10.816  14.771   0.276
  112    HB3  ASN  21           HB1      ASN  21   9.864  13.311   0.060
  113   HD21  ASN  21          HD21      ASN  21  10.906  12.704  -1.802
  114   HD22  ASN  21          HD22      ASN  21  10.712  13.539  -3.307
  115    H    PHE  22           HN       PHE  22   6.452  15.026   1.560
  116    HA   PHE  22           HA       PHE  22   4.389  14.134   1.241
  117    HB2  PHE  22           HB2      PHE  22   5.068  14.654  -1.662
  118    HB3  PHE  22           HB1      PHE  22   3.465  14.216  -1.081
  119    HD1  PHE  22           HD2      PHE  22   2.256  15.776   0.453
  120    HD2  PHE  22           HD1      PHE  22   5.856  16.862  -1.534
  121    HE1  PHE  22           HE2      PHE  22   1.762  18.149   0.866
  122    HE2  PHE  22           HE1      PHE  22   5.369  19.238  -1.124
  123    HZ   PHE  22           HZ       PHE  22   3.313  19.879   0.101
  124    H    THR  23           HN       THR  23   6.785  12.454   1.266
  125    HA   THR  23           HA       THR  23   5.603   9.968   0.394
  126    HB   THR  23           HB       THR  23   6.583  10.806  -1.717
  127    HG1  THR  23           HG1      THR  23   6.646   8.494  -1.091
  128   HG21  THR  23          HG21      THR  23   8.399  12.153  -0.818
  129   HG22  THR  23          HG22      THR  23   9.024  10.957  -1.957
  130   HG23  THR  23          HG23      THR  23   9.200  10.699  -0.221
  131    H    CYS  24           HN       CYS  24   7.523   8.206   0.674
  132    HA   CYS  24           HA       CYS  24   9.472   8.934   2.634
  133    HB2  CYS  24           HB2      CYS  24   8.570   7.146   4.275
  134    HB3  CYS  24           HB1      CYS  24   7.825   8.742   4.267
  135    H    VAL  25           HN       VAL  25  10.976   7.358   3.039
  136    HA   VAL  25           HA       VAL  25  11.178   5.392   0.894
  137    HB   VAL  25           HB       VAL  25  13.070   6.947   1.430
  138   HG11  VAL  25          HG11      VAL  25  13.324   5.215   3.879
  139   HG12  VAL  25          HG12      VAL  25  12.953   6.939   3.833
  140   HG13  VAL  25          HG13      VAL  25  14.538   6.363   3.315
  141   HG21  VAL  25          HG21      VAL  25  13.665   3.998   1.589
  142   HG22  VAL  25          HG22      VAL  25  14.818   5.259   1.149
  143   HG23  VAL  25          HG23      VAL  25  13.423   4.941   0.117
  144    H    THR  26           HN       THR  26  11.549   3.189   1.217
  145    HA   THR  26           HA       THR  26  10.916   2.108   3.869
  146    HB   THR  26           HB       THR  26   8.824   2.553   2.496
  147    HG1  THR  26           HG1      THR  26   8.649   1.209   4.209
  148   HG21  THR  26          HG21      THR  26   9.856   0.159   0.987
  149   HG22  THR  26          HG22      THR  26   9.616   1.775   0.325
  150   HG23  THR  26          HG23      THR  26   8.229   0.826   0.860
  151    H    ASP  27           HN       ASP  27  11.064  -0.267   3.909
  152    HA   ASP  27           HA       ASP  27  13.167  -1.206   2.080
  153    HB2  ASP  27           HB2      ASP  27  12.631  -1.812   4.980
  154    HB3  ASP  27           HB1      ASP  27  13.625  -2.872   3.989
  155    H    GLY  28           HN       GLY  28   9.996  -1.418   2.267
  156    HA2  GLY  28           HA2      GLY  28   9.923  -4.343   1.890
  157    HA3  GLY  28           HA1      GLY  28   8.559  -3.380   2.443
  158    H    LEU  29           HN       LEU  29   7.582  -1.888   0.948
  159    HA   LEU  29           HA       LEU  29   8.265  -1.785  -1.751
  160    HB2  LEU  29           HB2      LEU  29   6.317  -3.074  -2.700
  161    HB3  LEU  29           HB1      LEU  29   7.630  -4.032  -2.054
  162    HG   LEU  29           HG       LEU  29   6.126  -4.168   0.091
  163   HD11  LEU  29          HD11      LEU  29   3.746  -4.149  -0.396
  164   HD12  LEU  29          HD12      LEU  29   4.073  -3.582  -2.034
  165   HD13  LEU  29          HD13      LEU  29   4.453  -2.552  -0.653
  166   HD21  LEU  29          HD21      LEU  29   5.072  -6.177  -0.807
  167   HD22  LEU  29          HD22      LEU  29   6.761  -6.059  -1.299
  168   HD23  LEU  29          HD23      LEU  29   5.479  -5.663  -2.444
  169    H    CYS  30           HN       CYS  30   6.038  -1.130  -3.040
  170    HA   CYS  30           HA       CYS  30   5.059   1.172  -1.538
  171    HB2  CYS  30           HB2      CYS  30   4.611   0.298  -4.406
  172    HB3  CYS  30           HB1      CYS  30   3.954   1.771  -3.707
  173    H    PHE  31           HN       PHE  31   3.044   1.283  -0.660
  174    HA   PHE  31           HA       PHE  31   1.147  -0.838  -1.348
  175    HB2  PHE  31           HB2      PHE  31   2.069  -1.753   0.580
  176    HB3  PHE  31           HB1      PHE  31   2.296  -0.185   1.331
  177    HD1  PHE  31           HD1      PHE  31  -0.330  -2.607   0.319
  178    HD2  PHE  31           HD2      PHE  31   0.767   0.597   2.894
  179    HE1  PHE  31           HE1      PHE  31  -2.395  -2.942   1.611
  180    HE2  PHE  31           HE2      PHE  31  -1.295   0.267   4.192
  181    HZ   PHE  31           HZ       PHE  31  -2.879  -1.506   3.550
  182    H    VAL  32           HN       VAL  32  -0.508   0.200  -2.159
  183    HA   VAL  32           HA       VAL  32  -1.599   2.492  -0.663
  184    HB   VAL  32           HB       VAL  32  -2.043   1.700  -3.538
  185   HG11  VAL  32          HG11      VAL  32  -3.128   4.029  -1.994
  186   HG12  VAL  32          HG12      VAL  32  -4.049   2.649  -2.593
  187   HG13  VAL  32          HG13      VAL  32  -3.308   3.776  -3.730
  188   HG21  VAL  32          HG21      VAL  32  -0.610   4.072  -2.398
  189   HG22  VAL  32          HG22      VAL  32  -0.874   3.741  -4.107
  190   HG23  VAL  32          HG23      VAL  32   0.156   2.675  -3.151
  191    H    SER  33           HN       SER  33  -3.510   2.184   0.354
  192    HA   SER  33           HA       SER  33  -4.980  -0.260  -0.353
  193    HB2  SER  33           HB2      SER  33  -5.815  -0.170   2.058
  194    HB3  SER  33           HB1      SER  33  -4.126  -0.620   1.824
  195    HG   SER  33           HG       SER  33  -3.562   1.537   2.335
  196    H    VAL  34           HN       VAL  34  -6.606   0.333  -1.582
  197    HA   VAL  34           HA       VAL  34  -8.266   2.620  -0.762
  198    HB   VAL  34           HB       VAL  34  -8.383   1.028  -3.336
  199   HG11  VAL  34          HG11      VAL  34 -10.508   2.045  -2.814
  200   HG12  VAL  34          HG12      VAL  34  -9.751   2.911  -4.151
  201   HG13  VAL  34          HG13      VAL  34  -9.730   3.599  -2.529
  202   HG21  VAL  34          HG21      VAL  34  -7.323   2.972  -4.392
  203   HG22  VAL  34          HG22      VAL  34  -6.277   2.226  -3.182
  204   HG23  VAL  34          HG23      VAL  34  -7.135   3.719  -2.805
  205    H    THR  35           HN       THR  35  -9.588   1.843   0.812
  206    HA   THR  35           HA       THR  35 -10.880  -0.765   0.380
  207    HB   THR  35           HB       THR  35 -10.625   0.799   2.958
  208    HG1  THR  35           HG1      THR  35  -8.613  -0.021   2.131
  209   HG21  THR  35          HG21      THR  35 -12.555  -0.721   2.895
  210   HG22  THR  35          HG22      THR  35 -11.325  -1.287   4.026
  211   HG23  THR  35          HG23      THR  35 -11.490  -2.051   2.445
  212    H    GLU  36           HN       GLU  36 -12.675  -0.302  -0.781
  213    HA   GLU  36           HA       GLU  36 -14.382   1.895   0.110
  214    HB2  GLU  36           HB2      GLU  36 -14.680   0.101  -2.304
  215    HB3  GLU  36           HB1      GLU  36 -15.612   1.558  -1.957
  216    HG2  GLU  36           HG2      GLU  36 -13.601   2.916  -2.151
  217    HG3  GLU  36           HG1      GLU  36 -12.633   1.468  -2.418
  218    H    THR  37           HN       THR  37 -15.368   1.252   1.882
  219    HA   THR  37           HA       THR  37 -16.919  -1.226   1.803
  220    HB   THR  37           HB       THR  37 -17.241  -0.834   4.240
  221    HG1  THR  37           HG1      THR  37 -15.779   0.825   5.141
  222   HG21  THR  37          HG21      THR  37 -14.367  -0.797   3.318
  223   HG22  THR  37          HG22      THR  37 -15.388  -2.227   3.475
  224   HG23  THR  37          HG23      THR  37 -14.928  -1.311   4.911
  225    H    THR  38           HN       THR  38 -19.003  -0.697   3.425
  226    HA   THR  38           HA       THR  38 -20.623   1.110   1.909
  227    HB   THR  38           HB       THR  38 -21.425   0.009   4.566
  228    HG1  THR  38           HG1      THR  38 -21.606  -1.475   2.135
  229   HG21  THR  38          HG21      THR  38 -22.938   0.416   1.990
  230   HG22  THR  38          HG22      THR  38 -22.971   1.503   3.378
  231   HG23  THR  38          HG23      THR  38 -23.625  -0.130   3.519
  232    H    ASP  39           HN       ASP  39 -18.478   1.381   4.492
  233    HA   ASP  39           HA       ASP  39 -19.625   3.531   5.940
  234    HB2  ASP  39           HB2      ASP  39 -17.879   2.084   6.879
  235    HB3  ASP  39           HB1      ASP  39 -16.754   2.613   5.635
  236    H    LYS  40           HN       LYS  40 -17.105   3.298   3.474
  237    HA   LYS  40           HA       LYS  40 -17.849   5.416   1.877
  238    HB2  LYS  40           HB2      LYS  40 -16.094   7.111   2.519
  239    HB3  LYS  40           HB1      LYS  40 -17.440   6.982   3.644
  240    HG2  LYS  40           HG2      LYS  40 -15.998   5.452   5.018
  241    HG3  LYS  40           HG1      LYS  40 -14.659   5.900   3.959
  242    HD2  LYS  40           HD2      LYS  40 -14.646   8.095   4.692
  243    HD3  LYS  40           HD1      LYS  40 -16.306   8.009   5.292
  244    HE2  LYS  40           HE2      LYS  40 -14.752   8.025   7.145
  245    HE3  LYS  40           HE1      LYS  40 -15.577   6.465   7.043
  246    HZ1  LYS  40           HZ1      LYS  40 -12.864   6.974   5.942
  247    HZ2  LYS  40           HZ2      LYS  40 -13.658   5.483   6.096
  248    HZ3  LYS  40           HZ3      LYS  40 -13.161   6.318   7.480
  249    H    VAL  41           HN       VAL  41 -15.619   6.373   0.816
  250    HA   VAL  41           HA       VAL  41 -14.139   3.983   0.013
  251    HB   VAL  41           HB       VAL  41 -14.153   6.776  -1.155
  252   HG11  VAL  41          HG11      VAL  41 -12.797   4.269  -2.146
  253   HG12  VAL  41          HG12      VAL  41 -11.999   5.708  -1.515
  254   HG13  VAL  41          HG13      VAL  41 -12.903   5.793  -3.027
  255   HG21  VAL  41          HG21      VAL  41 -15.376   4.195  -2.124
  256   HG22  VAL  41          HG22      VAL  41 -15.358   5.715  -3.018
  257   HG23  VAL  41          HG23      VAL  41 -16.244   5.597  -1.499
  258    H    ILE  42           HN       ILE  42 -12.551   3.554   1.416
  259    HA   ILE  42           HA       ILE  42 -11.106   5.780   2.628
  260    HB   ILE  42           HB       ILE  42 -10.944   2.842   3.319
  261   HG12  ILE  42          HG12      ILE  42 -12.523   5.026   4.693
  262   HG13  ILE  42          HG11      ILE  42 -13.225   3.811   3.633
  263   HG21  ILE  42          HG21      ILE  42  -9.971   3.661   5.430
  264   HG22  ILE  42          HG22      ILE  42 -10.020   5.305   4.792
  265   HG23  ILE  42          HG23      ILE  42  -8.992   4.093   4.028
  266   HD11  ILE  42          HD11      ILE  42 -13.568   3.247   5.958
  267   HD12  ILE  42          HD12      ILE  42 -11.828   3.287   6.246
  268   HD13  ILE  42          HD13      ILE  42 -12.518   2.062   5.182
  269    H    HIS  43           HN       HIS  43  -9.679   6.432   1.096
  270    HA   HIS  43           HA       HIS  43  -7.868   4.387   0.000
  271    HB2  HIS  43           HB2      HIS  43  -7.496   5.882  -1.910
  272    HB3  HIS  43           HB1      HIS  43  -9.201   5.499  -1.730
  273    HD1  HIS  43           HD1      HIS  43  -6.959   8.276  -2.211
  274    HD2  HIS  43           HD2      HIS  43 -10.663   7.713  -0.410
  275    HE1  HIS  43           HE1      HIS  43  -7.962  10.574  -1.989
  276    HE2  HIS  43           HE2      HIS  43 -10.135  10.224  -0.750
  277    H    ASN  44           HN       ASN  44  -5.899   4.399   0.789
  278    HA   ASN  44           HA       ASN  44  -4.566   6.963   1.167
  279    HB2  ASN  44           HB2      ASN  44  -3.646   6.374   3.325
  280    HB3  ASN  44           HB1      ASN  44  -5.401   6.303   3.403
  281   HD21  ASN  44          HD21      ASN  44  -6.416   4.370   3.737
  282   HD22  ASN  44          HD22      ASN  44  -5.576   2.925   4.180
  283    H    SER  45           HN       SER  45  -2.125   6.193   1.980
  284    HA   SER  45           HA       SER  45  -1.082   4.103   0.361
  285    HB2  SER  45           HB2      SER  45  -0.505   6.932  -0.548
  286    HB3  SER  45           HB1      SER  45   0.131   5.464  -1.252
  287    HG   SER  45           HG       SER  45  -2.478   6.523  -1.366
  288    H    MET  46           HN       MET  46   0.628   3.428   1.420
  289    HA   MET  46           HA       MET  46   2.190   5.416   2.921
  290    HB2  MET  46           HB2      MET  46   0.617   4.212   4.439
  291    HB3  MET  46           HB1      MET  46   1.355   2.699   3.947
  292    HG2  MET  46           HG2      MET  46   3.524   3.554   4.829
  293    HG3  MET  46           HG1      MET  46   2.644   4.936   5.477
  294    HE1  MET  46           HE1      MET  46   0.794   4.765   7.367
  295    HE2  MET  46           HE2      MET  46   0.255   3.242   8.073
  296    HE3  MET  46           HE3      MET  46  -0.106   3.606   6.387
  297    H    CYS  47           HN       CYS  47   4.330   4.814   3.291
  298    HA   CYS  47           HA       CYS  47   5.522   2.960   1.441
  299    HB2  CYS  47           HB2      CYS  47   7.590   3.541   2.896
  300    HB3  CYS  47           HB1      CYS  47   6.904   4.810   1.888
  301    H    ILE  48           HN       ILE  48   5.301   0.844   1.840
  302    HA   ILE  48           HA       ILE  48   4.920   0.012   4.602
  303    HB   ILE  48           HB       ILE  48   3.454  -0.552   2.408
  304   HG12  ILE  48          HG12      ILE  48   3.120  -1.051   4.915
  305   HG13  ILE  48          HG11      ILE  48   2.254  -2.015   3.727
  306   HG21  ILE  48          HG21      ILE  48   5.182  -1.840   1.298
  307   HG22  ILE  48          HG22      ILE  48   3.789  -2.846   1.698
  308   HG23  ILE  48          HG23      ILE  48   5.257  -2.942   2.673
  309   HD11  ILE  48          HD11      ILE  48   4.785  -2.822   5.131
  310   HD12  ILE  48          HD12      ILE  48   3.878  -3.796   3.975
  311   HD13  ILE  48          HD13      ILE  48   3.158  -3.374   5.530
  312    H    ALA  49           HN       ALA  49   6.662  -0.615   5.654
  313    HA   ALA  49           HA       ALA  49   9.075  -1.227   4.223
  314    HB1  ALA  49           HB1      ALA  49  10.125  -1.302   6.437
  315    HB2  ALA  49           HB2      ALA  49   8.538  -1.147   7.190
  316    HB3  ALA  49           HB3      ALA  49   9.180   0.168   6.206
  317    H    GLU  50           HN       GLU  50  10.445  -3.045   4.936
  318    HA   GLU  50           HA       GLU  50   9.151  -5.483   4.428
  319    HB2  GLU  50           HB2      GLU  50  11.593  -4.925   4.055
  320    HB3  GLU  50           HB1      GLU  50  11.833  -5.182   5.778
  321    HG2  GLU  50           HG2      GLU  50  10.432  -7.374   4.480
  322    HG3  GLU  50           HG1      GLU  50  12.035  -7.082   3.811
  323    H    ILE  51           HN       ILE  51  10.192  -3.960   7.433
  324    HA   ILE  51           HA       ILE  51   9.496  -6.091   9.156
  325    HB   ILE  51           HB       ILE  51   9.595  -4.496  10.972
  326   HG12  ILE  51          HG12      ILE  51  10.221  -2.126   9.368
  327   HG13  ILE  51          HG11      ILE  51   8.561  -2.674   9.164
  328   HG21  ILE  51          HG21      ILE  51  11.709  -5.255  10.049
  329   HG22  ILE  51          HG22      ILE  51  11.844  -3.590  10.617
  330   HG23  ILE  51          HG23      ILE  51  11.699  -3.924   8.890
  331   HD11  ILE  51          HD11      ILE  51   8.763  -1.004  10.923
  332   HD12  ILE  51          HD12      ILE  51   9.885  -2.053  11.792
  333   HD13  ILE  51          HD13      ILE  51   8.206  -2.551  11.559
  334    H    ASP  52           HN       ASP  52   7.703  -3.658   7.518
  335    HA   ASP  52           HA       ASP  52   5.370  -3.927   9.223
  336    HB2  ASP  52           HB2      ASP  52   5.902  -2.215   6.789
  337    HB3  ASP  52           HB1      ASP  52   4.378  -2.230   7.662
  338    H    LEU  53           HN       LEU  53   6.675  -5.556   6.619
  339    HA   LEU  53           HA       LEU  53   4.258  -6.229   5.249
  340    HB2  LEU  53           HB2      LEU  53   6.769  -7.897   5.436
  341    HB3  LEU  53           HB1      LEU  53   5.501  -8.041   4.244
  342    HG   LEU  53           HG       LEU  53   7.375  -5.688   4.499
  343   HD11  LEU  53          HD11      LEU  53   8.386  -6.548   2.451
  344   HD12  LEU  53          HD12      LEU  53   7.305  -7.942   2.496
  345   HD13  LEU  53          HD13      LEU  53   8.514  -7.721   3.763
  346   HD21  LEU  53          HD21      LEU  53   6.445  -4.941   2.409
  347   HD22  LEU  53          HD22      LEU  53   5.139  -5.145   3.578
  348   HD23  LEU  53          HD23      LEU  53   5.400  -6.358   2.326
  349    H    ILE  54           HN       ILE  54   2.655  -7.086   6.398
  350    HA   ILE  54           HA       ILE  54   3.332  -9.151   8.387
  351    HB   ILE  54           HB       ILE  54   0.889  -7.390   8.530
  352   HG12  ILE  54          HG12      ILE  54   3.579  -6.916   9.861
  353   HG13  ILE  54          HG11      ILE  54   2.832  -5.905   8.619
  354   HG21  ILE  54          HG21      ILE  54   2.354  -9.051  10.590
  355   HG22  ILE  54          HG22      ILE  54   0.850  -9.493   9.781
  356   HG23  ILE  54          HG23      ILE  54   0.888  -8.110  10.875
  357   HD11  ILE  54          HD11      ILE  54   2.584  -4.933  10.831
  358   HD12  ILE  54          HD12      ILE  54   1.750  -6.386  11.386
  359   HD13  ILE  54          HD13      ILE  54   1.019  -5.368  10.146
  360    HA   PRO  55           HA       PRO  55   3.668 -10.972   8.204
  361    HB2  PRO  55           HB2      PRO  55   3.488 -13.314   6.483
  362    HB3  PRO  55           HB1      PRO  55   3.464 -13.226   8.245
  363    HG2  PRO  55           HG2      PRO  55   1.289 -13.924   6.783
  364    HG3  PRO  55           HG1      PRO  55   1.169 -13.076   8.337
  365    HD2  PRO  55           HD2      PRO  55   1.001 -11.965   5.556
  366    HD3  PRO  55           HD1      PRO  55  -0.013 -11.605   6.974
  367    H    ARG  56           HN       ARG  56   5.755 -11.739   7.177
  368    HA   ARG  56           HA       ARG  56   6.464  -9.804   5.232
  369    HB2  ARG  56           HB2      ARG  56   8.045 -12.134   6.314
  370    HB3  ARG  56           HB1      ARG  56   8.713 -10.830   5.344
  371    HG2  ARG  56           HG2      ARG  56   8.252  -9.228   7.052
  372    HG3  ARG  56           HG1      ARG  56   7.352 -10.420   7.993
  373    HD2  ARG  56           HD2      ARG  56   9.506 -10.197   8.982
  374    HD3  ARG  56           HD1      ARG  56   9.453 -11.755   8.163
  375    HE   ARG  56           HE       ARG  56  10.816  -9.359   7.090
  376   HH11  ARG  56          HH11      ARG  56  10.509 -12.847   7.391
  377   HH12  ARG  56          HH12      ARG  56  12.061 -13.161   6.675
  378   HH21  ARG  56          HH21      ARG  56  12.844  -9.787   6.132
  379   HH22  ARG  56          HH22      ARG  56  13.379 -11.438   5.960
  380    H    ASP  57           HN       ASP  57   5.409 -13.076   4.863
  381    HA   ASP  57           HA       ASP  57   6.720 -13.494   2.327
  382    HB2  ASP  57           HB2      ASP  57   6.214 -15.433   3.718
  383    HB3  ASP  57           HB1      ASP  57   4.497 -15.038   3.683
  384    H    ARG  58           HN       ARG  58   3.511 -12.791   3.490
  385    HA   ARG  58           HA       ARG  58   2.934 -11.293   1.062
  386    HB2  ARG  58           HB2      ARG  58   2.082 -13.796   0.957
  387    HB3  ARG  58           HB1      ARG  58   0.821 -13.181   2.036
  388    HG2  ARG  58           HG2      ARG  58   0.227 -11.501   0.398
  389    HG3  ARG  58           HG1      ARG  58   1.481 -12.103  -0.685
  390    HD2  ARG  58           HD2      ARG  58   0.346 -14.304  -0.703
  391    HD3  ARG  58           HD1      ARG  58  -0.941 -13.616   0.289
  392    HE   ARG  58           HE       ARG  58  -1.035 -11.950  -1.744
  393   HH11  ARG  58          HH11      ARG  58  -0.699 -15.446  -1.776
  394   HH12  ARG  58          HH12      ARG  58  -1.374 -15.611  -3.374
  395   HH21  ARG  58          HH21      ARG  58  -1.946 -12.183  -3.813
  396   HH22  ARG  58          HH22      ARG  58  -2.096 -13.765  -4.518
  397    HA   PRO  59           HA       PRO  59   1.637  -9.093   4.842
  398    HB2  PRO  59           HB2      PRO  59   1.236  -6.739   3.396
  399    HB3  PRO  59           HB1      PRO  59   2.673  -7.147   4.343
  400    HG2  PRO  59           HG2      PRO  59   2.224  -7.244   1.436
  401    HG3  PRO  59           HG1      PRO  59   3.731  -7.018   2.329
  402    HD2  PRO  59           HD2      PRO  59   3.076  -9.339   1.057
  403    HD3  PRO  59           HD1      PRO  59   4.126  -9.271   2.484
  404    H    PHE  60           HN       PHE  60  -0.343  -9.779   5.296
  405    HA   PHE  60           HA       PHE  60  -2.449  -9.912   3.433
  406    HB2  PHE  60           HB2      PHE  60  -3.826 -10.633   5.226
  407    HB3  PHE  60           HB1      PHE  60  -2.237 -11.303   5.513
  408    HD1  PHE  60           HD1      PHE  60  -3.932  -8.056   6.373
  409    HD2  PHE  60           HD2      PHE  60  -1.690 -11.426   7.713
  410    HE1  PHE  60           HE1      PHE  60  -3.953  -7.163   8.676
  411    HE2  PHE  60           HE2      PHE  60  -1.688 -10.522  10.000
  412    HZ   PHE  60           HZ       PHE  60  -2.820  -8.390  10.484
  413    H    VAL  61           HN       VAL  61  -1.168  -7.309   5.212
  414    HA   VAL  61           HA       VAL  61  -3.360  -5.608   5.379
  415    HB   VAL  61           HB       VAL  61  -1.508  -3.825   4.923
  416   HG11  VAL  61          HG11      VAL  61  -2.477  -4.294   7.116
  417   HG12  VAL  61          HG12      VAL  61  -0.742  -4.000   7.233
  418   HG13  VAL  61          HG13      VAL  61  -1.365  -5.648   7.309
  419   HG21  VAL  61          HG21      VAL  61   0.147  -6.283   5.334
  420   HG22  VAL  61          HG22      VAL  61   0.749  -4.628   5.432
  421   HG23  VAL  61          HG23      VAL  61   0.118  -5.248   3.906
  422    H    CYS  62           HN       CYS  62  -1.415  -6.667   2.714
  423    HA   CYS  62           HA       CYS  62  -2.840  -4.911   0.894
  424    HB2  CYS  62           HB2      CYS  62  -0.361  -5.105   0.730
  425    HB3  CYS  62           HB1      CYS  62  -0.550  -6.803   0.317
  426    H    ALA  63           HN       ALA  63  -3.513  -7.698   2.290
  427    HA   ALA  63           HA       ALA  63  -5.359  -8.463   0.207
  428    HB1  ALA  63           HB1      ALA  63  -3.293 -10.476   1.107
  429    HB2  ALA  63           HB2      ALA  63  -3.370  -9.726  -0.486
  430    HB3  ALA  63           HB3      ALA  63  -4.665 -10.799   0.047
  431    HA   PRO  64           HA       PRO  64  -6.622  -9.044   4.580
  432    HB2  PRO  64           HB2      PRO  64  -8.673  -7.221   4.547
  433    HB3  PRO  64           HB1      PRO  64  -6.991  -6.829   4.902
  434    HG2  PRO  64           HG2      PRO  64  -8.573  -6.101   2.592
  435    HG3  PRO  64           HG1      PRO  64  -6.951  -5.556   3.040
  436    HD2  PRO  64           HD2      PRO  64  -7.750  -7.590   1.098
  437    HD3  PRO  64           HD1      PRO  64  -6.176  -6.802   1.317
  438    H    SER  65           HN       SER  65  -7.455 -10.809   2.493
  439    HA   SER  65           HA       SER  65  -9.103 -12.242   1.853
  440    HB2  SER  65           HB2      SER  65 -10.462 -13.148   3.760
  441    HB3  SER  65           HB1      SER  65  -8.730 -13.113   4.065
  442    HG   SER  65           HG       SER  65  -9.738 -10.797   4.880
  443    H    SER  66           HN       SER  66  -9.794  -9.976   0.793
  444    HA   SER  66           HA       SER  66 -12.289  -8.914   1.723
  445    HB2  SER  66           HB2      SER  66 -10.799  -8.412  -0.864
  446    HB3  SER  66           HB1      SER  66 -12.089  -7.411  -0.192
  447    HG   SER  66           HG       SER  66 -10.728  -6.573   1.200
  448    H    LYS  67           HN       LYS  67 -12.545 -11.676   1.191
  449    HA   LYS  67           HA       LYS  67 -13.703 -12.174  -1.358
  450    HB2  LYS  67           HB2      LYS  67 -14.625 -14.232  -0.279
  451    HB3  LYS  67           HB1      LYS  67 -12.889 -14.041  -0.076
  452    HG2  LYS  67           HG2      LYS  67 -13.136 -13.387   2.189
  453    HG3  LYS  67           HG1      LYS  67 -14.883 -13.216   2.017
  454    HD2  LYS  67           HD2      LYS  67 -14.299 -15.275   3.198
  455    HD3  LYS  67           HD1      LYS  67 -15.093 -15.621   1.663
  456    HE2  LYS  67           HE2      LYS  67 -12.902 -16.043   0.637
  457    HE3  LYS  67           HE1      LYS  67 -12.123 -15.715   2.185
  458    HZ1  LYS  67           HZ1      LYS  67 -14.148 -17.851   1.810
  459    HZ2  LYS  67           HZ2      LYS  67 -13.118 -17.622   3.136
  460    HZ3  LYS  67           HZ3      LYS  67 -12.479 -18.117   1.647
  461    H    THR  68           HN       THR  68 -14.967 -11.109   1.731
  462    HA   THR  68           HA       THR  68 -17.365 -10.188   0.393
  463    HB   THR  68           HB       THR  68 -18.127 -12.340   1.154
  464    HG1  THR  68           HG1      THR  68 -19.896 -11.391   1.753
  465   HG21  THR  68          HG21      THR  68 -18.058 -13.027   3.498
  466   HG22  THR  68          HG22      THR  68 -17.153 -11.568   3.905
  467   HG23  THR  68          HG23      THR  68 -16.434 -12.790   2.856
  468    H    GLY  69           HN       GLY  69 -17.673  -8.161   0.958
  469    HA2  GLY  69           HA2      GLY  69 -17.803  -6.284   2.336
  470    HA3  GLY  69           HA1      GLY  69 -17.134  -7.236   3.655
  471    H    SER  70           HN       SER  70 -16.491  -4.552   2.387
  472    HA   SER  70           HA       SER  70 -14.653  -3.248   2.160
  473    HB2  SER  70           HB2      SER  70 -13.096  -5.714   2.974
  474    HB3  SER  70           HB1      SER  70 -12.441  -4.081   2.857
  475    HG   SER  70           HG       SER  70 -13.009  -4.536   4.994
  476    H    VAL  71           HN       VAL  71 -14.909  -2.910  -0.043
  477    HA   VAL  71           HA       VAL  71 -13.532  -4.636  -1.902
  478    HB   VAL  71           HB       VAL  71 -14.582  -1.842  -2.405
  479   HG11  VAL  71          HG11      VAL  71 -12.998  -2.609  -4.083
  480   HG12  VAL  71          HG12      VAL  71 -14.628  -2.541  -4.756
  481   HG13  VAL  71          HG13      VAL  71 -13.925  -4.093  -4.302
  482   HG21  VAL  71          HG21      VAL  71 -15.983  -4.485  -2.789
  483   HG22  VAL  71          HG22      VAL  71 -16.589  -2.917  -3.321
  484   HG23  VAL  71          HG23      VAL  71 -16.392  -3.249  -1.599
  485    H    THR  72           HN       THR  72 -11.526  -4.585  -0.761
  486    HA   THR  72           HA       THR  72 -10.045  -2.095  -0.739
  487    HB   THR  72           HB       THR  72  -9.182  -4.847   0.174
  488    HG1  THR  72           HG1      THR  72  -9.862  -2.848   1.994
  489   HG21  THR  72          HG21      THR  72  -7.331  -3.279  -0.247
  490   HG22  THR  72          HG22      THR  72  -7.503  -3.637   1.471
  491   HG23  THR  72          HG23      THR  72  -8.090  -2.104   0.824
  492    H    THR  73           HN       THR  73  -9.305  -1.531  -2.677
  493    HA   THR  73           HA       THR  73  -7.985  -3.532  -4.353
  494    HB   THR  73           HB       THR  73  -7.867  -1.712  -6.046
  495    HG1  THR  73           HG1      THR  73  -8.114  -0.069  -4.172
  496   HG21  THR  73          HG21      THR  73 -10.265  -1.654  -6.544
  497   HG22  THR  73          HG22      THR  73 -10.619  -2.208  -4.906
  498   HG23  THR  73          HG23      THR  73  -9.757  -3.262  -6.027
  499    H    THR  74           HN       THR  74  -6.086  -3.925  -3.382
  500    HA   THR  74           HA       THR  74  -4.469  -1.715  -2.373
  501    HB   THR  74           HB       THR  74  -3.028  -3.862  -1.692
  502    HG1  THR  74           HG1      THR  74  -4.169  -5.673  -1.706
  503   HG21  THR  74          HG21      THR  74  -4.261  -3.876   0.438
  504   HG22  THR  74          HG22      THR  74  -5.566  -2.958  -0.316
  505   HG23  THR  74          HG23      THR  74  -3.968  -2.235  -0.132
  506    H    TYR  75           HN       TYR  75  -3.150  -0.764  -3.791
  507    HA   TYR  75           HA       TYR  75  -1.881  -2.337  -5.883
  508    HB2  TYR  75           HB2      TYR  75  -2.847  -0.037  -6.327
  509    HB3  TYR  75           HB1      TYR  75  -1.524   0.622  -5.367
  510    HD1  TYR  75           HD2      TYR  75  -2.089  -1.675  -8.257
  511    HD2  TYR  75           HD1      TYR  75   0.405   1.270  -6.472
  512    HE1  TYR  75           HE2      TYR  75  -0.640  -1.712 -10.242
  513    HE2  TYR  75           HE1      TYR  75   1.860   1.243  -8.454
  514    HH   TYR  75           HH       TYR  75   0.981  -0.201 -11.374
  515    H    CYS  76           HN       CYS  76  -0.246  -3.532  -5.060
  516    HA   CYS  76           HA       CYS  76   1.803  -2.112  -3.496
  517    HB2  CYS  76           HB2      CYS  76   1.073  -5.033  -3.217
  518    HB3  CYS  76           HB1      CYS  76   2.208  -4.126  -2.220
  519    H    CYS  77           HN       CYS  77   3.869  -2.242  -4.206
  520    HA   CYS  77           HA       CYS  77   4.756  -4.333  -5.968
  521    HB2  CYS  77           HB2      CYS  77   5.266  -2.641  -7.853
  522    HB3  CYS  77           HB1      CYS  77   3.623  -3.257  -7.704
  523    H    ASN  78           HN       ASN  78   7.019  -3.843  -6.830
  524    HA   ASN  78           HA       ASN  78   8.475  -2.697  -4.535
  525    HB2  ASN  78           HB2      ASN  78   9.319  -4.829  -6.511
  526    HB3  ASN  78           HB1      ASN  78  10.325  -4.215  -5.204
  527   HD21  ASN  78          HD21      ASN  78   9.930  -4.856  -3.114
  528   HD22  ASN  78          HD22      ASN  78   8.833  -6.131  -2.722
  529    H    GLN  79           HN       GLN  79   7.591  -1.425  -7.218
  530    HA   GLN  79           HA       GLN  79  10.169  -0.739  -8.379
  531    HB2  GLN  79           HB2      GLN  79   7.353   0.037  -9.130
  532    HB3  GLN  79           HB1      GLN  79   8.771   0.680  -9.938
  533    HG2  GLN  79           HG2      GLN  79   7.890  -1.067 -11.275
  534    HG3  GLN  79           HG1      GLN  79   9.390  -1.650 -10.559
  535   HE21  GLN  79          HE21      GLN  79   9.337  -3.377  -9.185
  536   HE22  GLN  79          HE22      GLN  79   7.911  -4.307  -8.875
  537    H    ASP  80           HN       ASP  80  10.849   1.481  -8.659
  538    HA   ASP  80           HA       ASP  80  10.764   2.986  -6.266
  539    HB2  ASP  80           HB2      ASP  80  11.752   3.648  -9.040
  540    HB3  ASP  80           HB1      ASP  80  11.860   4.786  -7.702
  541    H    HIS  81           HN       HIS  81   8.983   4.023  -5.562
  542    HA   HIS  81           HA       HIS  81   7.320   5.573  -5.456
  543    HB2  HIS  81           HB2      HIS  81   9.141   6.704  -7.228
  544    HB3  HIS  81           HB1      HIS  81   7.620   6.762  -8.112
  545    HD1  HIS  81           HD1      HIS  81   9.561   8.620  -5.748
  546    HD2  HIS  81           HD2      HIS  81   5.495   8.058  -6.425
  547    HE1  HIS  81           HE1      HIS  81   8.411  10.530  -4.584
  548    HE2  HIS  81           HE2      HIS  81   5.964  10.254  -5.130
  549    H    CYS  82           HN       CYS  82   7.069   2.967  -6.584
  550    HA   CYS  82           HA       CYS  82   5.679   2.870  -9.005
  551    HB2  CYS  82           HB2      CYS  82   6.833   0.949  -8.099
  552    HB3  CYS  82           HB1      CYS  82   5.758   0.918  -6.707
  553    H    ASN  83           HN       ASN  83   4.516   3.590  -5.796
  554    HA   ASN  83           HA       ASN  83   1.922   2.535  -6.189
  555    HB2  ASN  83           HB2      ASN  83   1.275   3.689  -4.173
  556    HB3  ASN  83           HB1      ASN  83   2.840   2.928  -3.939
  557   HD21  ASN  83          HD21      ASN  83   1.429   5.199  -2.678
  558   HD22  ASN  83          HD22      ASN  83   2.570   6.494  -2.700
  559    H    LYS  84           HN       LYS  84   0.057   3.560  -6.672
  560    HA   LYS  84           HA       LYS  84   0.030   6.112  -7.981
  561    HB2  LYS  84           HB2      LYS  84   1.439   4.926  -9.537
  562    HB3  LYS  84           HB1      LYS  84   0.292   3.602  -9.636
  563    HG2  LYS  84           HG2      LYS  84  -1.280   4.966 -10.818
  564    HG3  LYS  84           HG1      LYS  84  -0.290   6.406 -10.560
  565    HD2  LYS  84           HD2      LYS  84   1.442   5.565 -11.956
  566    HD3  LYS  84           HD1      LYS  84   0.682   3.975 -12.044
  567    HE2  LYS  84           HE2      LYS  84  -0.516   6.517 -13.135
  568    HE3  LYS  84           HE1      LYS  84   0.381   5.339 -14.092
  569    HZ1  LYS  84           HZ1      LYS  84  -1.888   4.850 -14.380
  570    HZ2  LYS  84           HZ2      LYS  84  -2.223   4.961 -12.725
  571    HZ3  LYS  84           HZ3      LYS  84  -1.305   3.665 -13.315
  572    H    ILE  85           HN       ILE  85  -1.550   3.061  -7.310
  573    HA   ILE  85           HA       ILE  85  -3.716   2.593  -6.824
  574    HB   ILE  85           HB       ILE  85  -4.278   5.493  -7.491
  575   HG12  ILE  85          HG12      ILE  85  -4.874   5.385  -4.925
  576   HG13  ILE  85          HG11      ILE  85  -3.779   4.009  -4.940
  577   HG21  ILE  85          HG21      ILE  85  -6.497   5.125  -6.507
  578   HG22  ILE  85          HG22      ILE  85  -6.134   3.407  -6.355
  579   HG23  ILE  85          HG23      ILE  85  -6.242   4.145  -7.952
  580   HD11  ILE  85          HD11      ILE  85  -2.635   6.030  -4.261
  581   HD12  ILE  85          HD12      ILE  85  -3.100   6.824  -5.765
  582   HD13  ILE  85          HD13      ILE  85  -1.998   5.447  -5.798
  583    H    GLU  86           HN       GLU  86  -4.112   1.119  -8.421
  584    HA   GLU  86           HA       GLU  86  -6.003   1.898 -10.382
  585    HB2  GLU  86           HB2      GLU  86  -4.672   1.137 -12.381
  586    HB3  GLU  86           HB1      GLU  86  -4.163   2.666 -11.680
  587    HG2  GLU  86           HG2      GLU  86  -2.345   1.482 -10.504
  588    HG3  GLU  86           HG1      GLU  86  -2.835  -0.009 -11.306
  589    H    LEU  87           HN       LEU  87  -6.705   0.164  -8.681
  590    HA   LEU  87           HA       LEU  87  -6.470  -2.411 -10.094
  591    HB2  LEU  87           HB2      LEU  87  -7.284  -1.928  -7.228
  592    HB3  LEU  87           HB1      LEU  87  -7.275  -3.487  -8.025
  593    HG   LEU  87           HG       LEU  87  -4.757  -3.045  -8.401
  594   HD11  LEU  87          HD11      LEU  87  -5.314  -1.121  -6.153
  595   HD12  LEU  87          HD12      LEU  87  -4.774  -0.697  -7.778
  596   HD13  LEU  87          HD13      LEU  87  -3.720  -1.628  -6.714
  597   HD21  LEU  87          HD21      LEU  87  -5.837  -3.560  -5.633
  598   HD22  LEU  87          HD22      LEU  87  -4.230  -3.995  -6.222
  599   HD23  LEU  87          HD23      LEU  87  -5.661  -4.757  -6.918
  600    HA   PRO  88           HA       PRO  88 -10.729  -1.202 -11.026
  601    HB2  PRO  88           HB2      PRO  88 -10.525  -2.943 -13.323
  602    HB3  PRO  88           HB1      PRO  88 -10.665  -1.184 -13.283
  603    HG2  PRO  88           HG2      PRO  88  -8.417  -2.507 -14.097
  604    HG3  PRO  88           HG1      PRO  88  -8.409  -0.873 -13.413
  605    HD2  PRO  88           HD2      PRO  88  -7.758  -3.483 -12.096
  606    HD3  PRO  88           HD1      PRO  88  -6.964  -1.903 -11.922
  607    H    THR  89           HN       THR  89  -9.250  -4.334 -10.797
  608    HA   THR  89           HA       THR  89 -11.749  -5.523  -9.888
  609    HB   THR  89           HB       THR  89 -11.166  -7.526 -11.475
  610    HG1  THR  89           HG1      THR  89  -9.516  -7.032 -12.714
  611   HG21  THR  89          HG21      THR  89 -13.256  -6.282 -11.599
  612   HG22  THR  89          HG22      THR  89 -12.640  -6.597 -13.221
  613   HG23  THR  89          HG23      THR  89 -12.462  -4.994 -12.505
  614    H    THR  90           HN       THR  90  -9.085  -4.960  -8.633
  615    HA   THR  90           HA       THR  90  -8.198  -7.734  -8.203
  616    HB   THR  90           HB       THR  90  -6.450  -5.280  -7.998
  617    HG1  THR  90           HG1      THR  90  -6.795  -7.147 -10.135
  618   HG21  THR  90          HG21      THR  90  -5.804  -8.233  -8.097
  619   HG22  THR  90          HG22      THR  90  -5.667  -7.185  -6.685
  620   HG23  THR  90          HG23      THR  90  -4.618  -6.929  -8.080
  621    H    VAL  91           HN       VAL  91  -8.879  -8.392  -6.285
  622    HA   VAL  91           HA       VAL  91  -9.206  -6.574  -4.070
  623    HB   VAL  91           HB       VAL  91  -9.779  -8.708  -2.789
  624   HG11  VAL  91          HG11      VAL  91 -12.002  -8.836  -3.789
  625   HG12  VAL  91          HG12      VAL  91 -11.407  -8.013  -5.231
  626   HG13  VAL  91          HG13      VAL  91 -11.454  -7.162  -3.687
  627   HG21  VAL  91          HG21      VAL  91 -10.387 -10.654  -4.175
  628   HG22  VAL  91          HG22      VAL  91  -8.657 -10.320  -4.220
  629   HG23  VAL  91          HG23      VAL  91  -9.678  -9.856  -5.580
  630    HN1  NH2  92           HN1      NH2  92  -7.367  -5.871  -3.100
  Start of MODEL    6
    1    H1   GLY   5           HN       GLY   5  18.323   1.820  -6.228
    2    HA2  GLY   5           HA2      GLY   5  17.059   4.065  -4.782
    3    HA3  GLY   5           HA1      GLY   5  17.368   4.163  -6.510
    4    H    SER   6           HN       SER   6  16.682   1.027  -5.843
    5    HA   SER   6           HA       SER   6  13.817   1.199  -5.620
    6    HB2  SER   6           HB2      SER   6  14.674   1.458  -8.156
    7    HB3  SER   6           HB1      SER   6  14.703  -0.301  -8.041
    8    HG   SER   6           HG       SER   6  12.585   1.416  -8.213
    9    H    ALA   7           HN       ALA   7  12.903  -1.112  -5.749
   10    HA   ALA   7           HA       ALA   7  12.815  -3.239  -4.975
   11    HB1  ALA   7           HB1      ALA   7  15.788  -3.323  -5.460
   12    HB2  ALA   7           HB2      ALA   7  14.543  -3.721  -6.643
   13    HB3  ALA   7           HB3      ALA   7  14.733  -4.709  -5.194
   14    H    THR   8           HN       THR   8  15.903  -1.978  -3.704
   15    HA   THR   8           HA       THR   8  15.203  -2.990  -1.055
   16    HB   THR   8           HB       THR   8  17.747  -1.613  -1.945
   17    HG1  THR   8           HG1      THR   8  16.852  -4.281  -2.111
   18   HG21  THR   8          HG21      THR   8  17.440  -1.624   0.479
   19   HG22  THR   8          HG22      THR   8  18.731  -2.733   0.015
   20   HG23  THR   8          HG23      THR   8  17.140  -3.362   0.446
   21    H    ALA   9           HN       ALA   9  15.402  -0.038  -2.836
   22    HA   ALA   9           HA       ALA   9  14.559   1.428  -0.429
   23    HB1  ALA   9           HB1      ALA   9  16.418   2.509  -2.548
   24    HB2  ALA   9           HB2      ALA   9  16.901   1.989  -0.933
   25    HB3  ALA   9           HB3      ALA   9  15.829   3.377  -1.130
   26    H    LEU  10           HN       LEU  10  12.419   1.522  -0.907
   27    HA   LEU  10           HA       LEU  10  11.659   2.593  -3.540
   28    HB2  LEU  10           HB2      LEU  10   9.927   1.296  -1.430
   29    HB3  LEU  10           HB1      LEU  10   9.368   1.874  -2.983
   30    HG   LEU  10           HG       LEU  10   9.505  -0.417  -3.268
   31   HD11  LEU  10          HD11      LEU  10  12.148   0.668  -4.218
   32   HD12  LEU  10          HD12      LEU  10  10.613   0.721  -5.084
   33   HD13  LEU  10          HD13      LEU  10  11.395  -0.829  -4.772
   34   HD21  LEU  10          HD21      LEU  10  11.378  -1.814  -2.533
   35   HD22  LEU  10          HD22      LEU  10  10.618  -0.970  -1.183
   36   HD23  LEU  10          HD23      LEU  10  12.155  -0.396  -1.830
   37    H    GLN  11           HN       GLN  11  10.642   4.546  -3.709
   38    HA   GLN  11           HA       GLN  11  10.042   5.929  -1.177
   39    HB2  GLN  11           HB2      GLN  11  11.900   6.809  -2.803
   40    HB3  GLN  11           HB1      GLN  11  10.543   7.384  -3.760
   41    HG2  GLN  11           HG2      GLN  11   9.772   8.740  -1.926
   42    HG3  GLN  11           HG1      GLN  11  11.043   8.104  -0.884
   43   HE21  GLN  11          HE21      GLN  11  13.003   8.103  -3.059
   44   HE22  GLN  11          HE22      GLN  11  13.470   9.756  -3.284
   45    H    CYS  12           HN       CYS  12   7.940   5.441  -0.933
   46    HA   CYS  12           HA       CYS  12   6.208   5.613  -3.308
   47    HB2  CYS  12           HB2      CYS  12   5.458   4.274  -0.722
   48    HB3  CYS  12           HB1      CYS  12   4.818   3.987  -2.342
   49    H    PHE  13           HN       PHE  13   4.194   6.673  -3.173
   50    HA   PHE  13           HA       PHE  13   4.191   9.129  -1.886
   51    HB2  PHE  13           HB2      PHE  13   2.801   8.507  -3.871
   52    HB3  PHE  13           HB1      PHE  13   1.755   7.585  -2.799
   53    HD1  PHE  13           HD1      PHE  13   2.922  10.957  -3.676
   54    HD2  PHE  13           HD2      PHE  13   0.114   8.656  -1.463
   55    HE1  PHE  13           HE1      PHE  13   1.607  12.993  -3.238
   56    HE2  PHE  13           HE2      PHE  13  -1.213  10.683  -1.023
   57    HZ   PHE  13           HZ       PHE  13  -0.465  12.855  -1.908
   58    H    CYS  14           HN       CYS  14   3.520   9.853   0.073
   59    HA   CYS  14           HA       CYS  14   2.304   7.866   1.861
   60    HB2  CYS  14           HB2      CYS  14   4.681   8.097   2.399
   61    HB3  CYS  14           HB1      CYS  14   4.474   9.836   2.581
   62    H    HIS  15           HN       HIS  15   0.442   8.515   2.680
   63    HA   HIS  15           HA       HIS  15  -0.465  11.193   2.179
   64    HB2  HIS  15           HB2      HIS  15  -2.634  10.458   2.864
   65    HB3  HIS  15           HB1      HIS  15  -1.915   9.178   1.898
   66    HD1  HIS  15           HD1      HIS  15  -4.079   9.339   4.527
   67    HD2  HIS  15           HD2      HIS  15  -0.414   7.406   4.104
   68    HE1  HIS  15           HE1      HIS  15  -4.084   7.485   6.225
   69    HE2  HIS  15           HE2      HIS  15  -1.797   6.433   6.066
   70    H    LEU  16           HN       LEU  16   1.139   9.783   4.828
   71    HA   LEU  16           HA       LEU  16   0.053  11.877   6.600
   72    HB2  LEU  16           HB2      LEU  16   0.899   9.069   7.272
   73    HB3  LEU  16           HB1      LEU  16   0.719  10.314   8.493
   74    HG   LEU  16           HG       LEU  16  -1.470   9.276   6.691
   75   HD11  LEU  16          HD11      LEU  16  -2.399   8.363   8.760
   76   HD12  LEU  16          HD12      LEU  16  -0.987   8.935   9.649
   77   HD13  LEU  16          HD13      LEU  16  -0.807   7.687   8.417
   78   HD21  LEU  16          HD21      LEU  16  -1.771  11.639   7.193
   79   HD22  LEU  16          HD22      LEU  16  -1.553  11.315   8.912
   80   HD23  LEU  16          HD23      LEU  16  -2.954  10.660   8.062
   81    H    CYS  17           HN       CYS  17   2.882  10.690   5.129
   82    HA   CYS  17           HA       CYS  17   4.726  11.606   7.102
   83    HB2  CYS  17           HB2      CYS  17   5.173  11.182   4.138
   84    HB3  CYS  17           HB1      CYS  17   6.417  11.280   5.383
   85    H    THR  18           HN       THR  18   3.157  12.928   4.293
   86    HA   THR  18           HA       THR  18   2.663  15.019   3.640
   87    HB   THR  18           HB       THR  18   3.362  15.983   6.403
   88    HG1  THR  18           HG1      THR  18   1.865  14.697   7.179
   89   HG21  THR  18          HG21      THR  18   2.641  17.658   4.771
   90   HG22  THR  18          HG22      THR  18   1.414  17.428   6.020
   91   HG23  THR  18          HG23      THR  18   1.195  16.704   4.426
   92    H    LYS  19           HN       LYS  19   5.127  16.068   5.990
   93    HA   LYS  19           HA       LYS  19   6.264  17.767   3.966
   94    HB2  LYS  19           HB2      LYS  19   6.973  17.342   6.870
   95    HB3  LYS  19           HB1      LYS  19   7.809  18.481   5.827
   96    HG2  LYS  19           HG2      LYS  19   4.855  18.693   6.062
   97    HG3  LYS  19           HG1      LYS  19   5.850  19.230   7.414
   98    HD2  LYS  19           HD2      LYS  19   5.495  21.144   6.084
   99    HD3  LYS  19           HD1      LYS  19   7.140  20.623   5.728
  100    HE2  LYS  19           HE2      LYS  19   6.379  19.572   3.675
  101    HE3  LYS  19           HE1      LYS  19   4.713  20.017   4.041
  102    HZ1  LYS  19           HZ1      LYS  19   6.977  21.797   3.349
  103    HZ2  LYS  19           HZ2      LYS  19   5.550  22.384   4.050
  104    HZ3  LYS  19           HZ3      LYS  19   5.495  21.618   2.540
  105    H    ASP  20           HN       ASP  20   6.649  14.631   4.535
  106    HA   ASP  20           HA       ASP  20   9.498  14.520   4.002
  107    HB2  ASP  20           HB2      ASP  20   7.354  12.568   4.641
  108    HB3  ASP  20           HB1      ASP  20   8.665  11.972   3.636
  109    H    ASN  21           HN       ASN  21   8.083  16.011   2.123
  110    HA   ASN  21           HA       ASN  21   7.733  16.301  -0.097
  111    HB2  ASN  21           HB2      ASN  21  10.038  15.363  -0.266
  112    HB3  ASN  21           HB1      ASN  21   9.352  13.752  -0.427
  113   HD21  ASN  21          HD21      ASN  21   8.824  13.049  -2.414
  114   HD22  ASN  21          HD22      ASN  21   8.816  14.027  -3.842
  115    H    PHE  22           HN       PHE  22   5.911  14.831   1.570
  116    HA   PHE  22           HA       PHE  22   4.011  13.600   1.510
  117    HB2  PHE  22           HB2      PHE  22   4.196  14.225  -1.446
  118    HB3  PHE  22           HB1      PHE  22   2.769  13.577  -0.644
  119    HD1  PHE  22           HD2      PHE  22   1.498  14.952   0.929
  120    HD2  PHE  22           HD1      PHE  22   4.805  16.526  -1.236
  121    HE1  PHE  22           HE2      PHE  22   0.762  17.238   1.474
  122    HE2  PHE  22           HE1      PHE  22   4.077  18.811  -0.696
  123    HZ   PHE  22           HZ       PHE  22   2.057  19.171   0.660
  124    H    THR  23           HN       THR  23   6.550  12.236   1.305
  125    HA   THR  23           HA       THR  23   5.600   9.655   0.410
  126    HB   THR  23           HB       THR  23   6.449  10.644  -1.680
  127    HG1  THR  23           HG1      THR  23   6.802   8.325  -1.080
  128   HG21  THR  23          HG21      THR  23   9.102  10.776  -0.248
  129   HG22  THR  23          HG22      THR  23   8.115  12.156  -0.728
  130   HG23  THR  23          HG23      THR  23   8.831  11.119  -1.958
  131    H    CYS  24           HN       CYS  24   7.655   8.076   0.598
  132    HA   CYS  24           HA       CYS  24   9.610   8.864   2.530
  133    HB2  CYS  24           HB2      CYS  24   8.824   6.791   4.008
  134    HB3  CYS  24           HB1      CYS  24   8.231   8.422   4.287
  135    H    VAL  25           HN       VAL  25  11.204   7.296   2.895
  136    HA   VAL  25           HA       VAL  25  11.441   5.391   0.701
  137    HB   VAL  25           HB       VAL  25  13.337   6.807   0.897
  138   HG11  VAL  25          HG11      VAL  25  13.060   7.535   3.183
  139   HG12  VAL  25          HG12      VAL  25  14.704   6.953   2.924
  140   HG13  VAL  25          HG13      VAL  25  13.533   5.943   3.774
  141   HG21  VAL  25          HG21      VAL  25  13.849   4.507   0.315
  142   HG22  VAL  25          HG22      VAL  25  14.023   4.094   2.020
  143   HG23  VAL  25          HG23      VAL  25  15.161   5.207   1.263
  144    H    THR  26           HN       THR  26  10.904   3.415   0.933
  145    HA   THR  26           HA       THR  26  10.892   2.109   3.575
  146    HB   THR  26           HB       THR  26   8.775   1.707   2.939
  147    HG1  THR  26           HG1      THR  26   8.572  -0.260   1.935
  148   HG21  THR  26          HG21      THR  26   8.010   1.676   0.558
  149   HG22  THR  26          HG22      THR  26   9.660   2.091   0.092
  150   HG23  THR  26          HG23      THR  26   8.720   3.202   1.082
  151    H    ASP  27           HN       ASP  27  11.568  -0.154   3.670
  152    HA   ASP  27           HA       ASP  27  13.556  -0.827   1.595
  153    HB2  ASP  27           HB2      ASP  27  14.764  -2.042   3.210
  154    HB3  ASP  27           HB1      ASP  27  14.235  -0.590   4.055
  155    H    GLY  28           HN       GLY  28  10.458  -1.383   2.152
  156    HA2  GLY  28           HA2      GLY  28  10.571  -4.309   1.769
  157    HA3  GLY  28           HA1      GLY  28   9.196  -3.432   2.422
  158    H    LEU  29           HN       LEU  29   8.043  -1.977   0.950
  159    HA   LEU  29           HA       LEU  29   8.461  -2.074  -1.820
  160    HB2  LEU  29           HB2      LEU  29   6.342  -3.303  -2.440
  161    HB3  LEU  29           HB1      LEU  29   7.682  -4.290  -1.898
  162    HG   LEU  29           HG       LEU  29   6.504  -4.374   0.369
  163   HD11  LEU  29          HD11      LEU  29   4.198  -3.382  -1.297
  164   HD12  LEU  29          HD12      LEU  29   4.981  -2.489   0.007
  165   HD13  LEU  29          HD13      LEU  29   4.107  -3.980   0.359
  166   HD21  LEU  29          HD21      LEU  29   5.223  -5.590  -2.071
  167   HD22  LEU  29          HD22      LEU  29   4.966  -6.133  -0.413
  168   HD23  LEU  29          HD23      LEU  29   6.566  -6.256  -1.144
  169    H    CYS  30           HN       CYS  30   6.316  -1.338  -2.979
  170    HA   CYS  30           HA       CYS  30   5.338   0.977  -1.480
  171    HB2  CYS  30           HB2      CYS  30   5.244   0.175  -4.385
  172    HB3  CYS  30           HB1      CYS  30   4.210   1.452  -3.765
  173    H    PHE  31           HN       PHE  31   3.276   1.118  -0.728
  174    HA   PHE  31           HA       PHE  31   1.349  -0.911  -1.540
  175    HB2  PHE  31           HB2      PHE  31   2.388  -1.936   0.378
  176    HB3  PHE  31           HB1      PHE  31   2.227  -0.455   1.314
  177    HD1  PHE  31           HD1      PHE  31   0.374  -3.246  -0.210
  178    HD2  PHE  31           HD2      PHE  31   0.210   0.080   2.437
  179    HE1  PHE  31           HE1      PHE  31  -1.816  -4.005   0.605
  180    HE2  PHE  31           HE2      PHE  31  -1.984  -0.673   3.256
  181    HZ   PHE  31           HZ       PHE  31  -2.999  -2.719   2.339
  182    H    VAL  32           HN       VAL  32  -0.443   0.059  -2.036
  183    HA   VAL  32           HA       VAL  32  -1.415   2.203  -0.294
  184    HB   VAL  32           HB       VAL  32  -1.052   3.673  -1.946
  185   HG11  VAL  32          HG11      VAL  32  -0.808   1.320  -3.784
  186   HG12  VAL  32          HG12      VAL  32   0.455   2.403  -3.198
  187   HG13  VAL  32          HG13      VAL  32  -0.736   2.986  -4.359
  188   HG21  VAL  32          HG21      VAL  32  -3.478   3.460  -2.067
  189   HG22  VAL  32          HG22      VAL  32  -3.312   2.224  -3.315
  190   HG23  VAL  32          HG23      VAL  32  -2.792   3.879  -3.639
  191    H    SER  33           HN       SER  33  -3.534   2.075   0.218
  192    HA   SER  33           HA       SER  33  -5.041  -0.147  -0.979
  193    HB2  SER  33           HB2      SER  33  -6.126  -0.324   1.327
  194    HB3  SER  33           HB1      SER  33  -4.464  -0.894   1.185
  195    HG   SER  33           HG       SER  33  -3.768   0.774   2.346
  196    H    VAL  34           HN       VAL  34  -6.760   0.464  -2.001
  197    HA   VAL  34           HA       VAL  34  -8.135   2.939  -1.207
  198    HB   VAL  34           HB       VAL  34  -8.495   1.242  -3.692
  199   HG11  VAL  34          HG11      VAL  34 -10.530   2.418  -3.130
  200   HG12  VAL  34          HG12      VAL  34  -9.781   3.179  -4.533
  201   HG13  VAL  34          HG13      VAL  34  -9.644   3.926  -2.943
  202   HG21  VAL  34          HG21      VAL  34  -6.329   2.294  -3.709
  203   HG22  VAL  34          HG22      VAL  34  -7.041   3.848  -3.283
  204   HG23  VAL  34          HG23      VAL  34  -7.385   3.121  -4.852
  205    H    THR  35           HN       THR  35  -9.502   2.454   0.404
  206    HA   THR  35           HA       THR  35 -10.922  -0.108   0.335
  207    HB   THR  35           HB       THR  35 -10.668   1.877   2.610
  208    HG1  THR  35           HG1      THR  35  -8.704   0.687   1.894
  209   HG21  THR  35          HG21      THR  35 -11.496   0.042   4.011
  210   HG22  THR  35          HG22      THR  35 -11.696  -0.963   2.575
  211   HG23  THR  35          HG23      THR  35 -12.676   0.491   2.777
  212    H    GLU  36           HN       GLU  36 -12.511   0.423  -1.170
  213    HA   GLU  36           HA       GLU  36 -14.222   2.704  -0.536
  214    HB2  GLU  36           HB2      GLU  36 -14.272   0.836  -2.914
  215    HB3  GLU  36           HB1      GLU  36 -15.278   2.266  -2.713
  216    HG2  GLU  36           HG2      GLU  36 -13.257   3.664  -2.681
  217    HG3  GLU  36           HG1      GLU  36 -12.275   2.220  -2.924
  218    H    THR  37           HN       THR  37 -15.266   2.079   1.213
  219    HA   THR  37           HA       THR  37 -16.860  -0.360   1.128
  220    HB   THR  37           HB       THR  37 -17.399   0.249   3.500
  221    HG1  THR  37           HG1      THR  37 -15.391   2.006   3.856
  222   HG21  THR  37          HG21      THR  37 -14.469   0.083   2.785
  223   HG22  THR  37          HG22      THR  37 -15.566  -1.270   3.070
  224   HG23  THR  37          HG23      THR  37 -15.135  -0.191   4.396
  225    H    THR  38           HN       THR  38 -19.119   0.154   2.381
  226    HA   THR  38           HA       THR  38 -20.463   2.139   0.768
  227    HB   THR  38           HB       THR  38 -22.498   1.443   2.035
  228    HG1  THR  38           HG1      THR  38 -22.360  -0.146   3.556
  229   HG21  THR  38          HG21      THR  38 -21.860   0.331  -0.063
  230   HG22  THR  38          HG22      THR  38 -22.655  -0.784   1.046
  231   HG23  THR  38          HG23      THR  38 -20.905  -0.835   0.852
  232    H    ASP  39           HN       ASP  39 -18.549   2.295   3.368
  233    HA   ASP  39           HA       ASP  39 -19.911   4.302   4.922
  234    HB2  ASP  39           HB2      ASP  39 -18.153   2.728   5.817
  235    HB3  ASP  39           HB1      ASP  39 -16.968   3.613   4.856
  236    H    LYS  40           HN       LYS  40 -17.165   4.160   2.739
  237    HA   LYS  40           HA       LYS  40 -17.703   6.459   1.260
  238    HB2  LYS  40           HB2      LYS  40 -15.933   7.972   2.172
  239    HB3  LYS  40           HB1      LYS  40 -17.282   7.747   3.279
  240    HG2  LYS  40           HG2      LYS  40 -15.946   6.026   4.460
  241    HG3  LYS  40           HG1      LYS  40 -14.584   6.431   3.417
  242    HD2  LYS  40           HD2      LYS  40 -14.488   8.654   4.296
  243    HD3  LYS  40           HD1      LYS  40 -15.993   8.419   5.192
  244    HE2  LYS  40           HE2      LYS  40 -14.944   6.702   6.545
  245    HE3  LYS  40           HE1      LYS  40 -13.445   6.871   5.632
  246    HZ1  LYS  40           HZ1      LYS  40 -13.163   8.095   7.605
  247    HZ2  LYS  40           HZ2      LYS  40 -14.681   8.837   7.473
  248    HZ3  LYS  40           HZ3      LYS  40 -13.439   9.257   6.398
  249    H    VAL  41           HN       VAL  41 -15.459   7.239   0.250
  250    HA   VAL  41           HA       VAL  41 -14.008   4.806  -0.469
  251    HB   VAL  41           HB       VAL  41 -13.849   7.598  -1.637
  252   HG11  VAL  41          HG11      VAL  41 -12.564   6.534  -3.452
  253   HG12  VAL  41          HG12      VAL  41 -12.556   5.025  -2.538
  254   HG13  VAL  41          HG13      VAL  41 -11.734   6.449  -1.900
  255   HG21  VAL  41          HG21      VAL  41 -14.996   6.607  -3.565
  256   HG22  VAL  41          HG22      VAL  41 -15.974   6.516  -2.101
  257   HG23  VAL  41          HG23      VAL  41 -15.136   5.081  -2.690
  258    H    ILE  42           HN       ILE  42 -12.480   4.330   1.013
  259    HA   ILE  42           HA       ILE  42 -10.870   6.522   2.112
  260    HB   ILE  42           HB       ILE  42 -10.926   3.614   2.961
  261   HG12  ILE  42          HG12      ILE  42 -11.917   4.882   5.098
  262   HG13  ILE  42          HG11      ILE  42 -12.482   5.989   3.852
  263   HG21  ILE  42          HG21      ILE  42  -8.801   4.667   3.436
  264   HG22  ILE  42          HG22      ILE  42  -9.694   4.380   4.929
  265   HG23  ILE  42          HG23      ILE  42  -9.621   6.003   4.244
  266   HD11  ILE  42          HD11      ILE  42 -14.183   4.359   4.391
  267   HD12  ILE  42          HD12      ILE  42 -13.073   3.044   4.012
  268   HD13  ILE  42          HD13      ILE  42 -13.617   4.133   2.737
  269    H    HIS  43           HN       HIS  43  -9.449   6.966   0.463
  270    HA   HIS  43           HA       HIS  43  -7.788   4.706  -0.426
  271    HB2  HIS  43           HB2      HIS  43  -7.260   5.964  -2.453
  272    HB3  HIS  43           HB1      HIS  43  -8.994   5.756  -2.289
  273    HD1  HIS  43           HD1      HIS  43  -6.655   8.180  -3.281
  274    HD2  HIS  43           HD2      HIS  43 -10.126   8.271  -0.997
  275    HE1  HIS  43           HE1      HIS  43  -7.389  10.587  -3.263
  276    HE2  HIS  43           HE2      HIS  43  -9.387  10.644  -1.733
  277    H    ASN  44           HN       ASN  44  -5.917   4.612   0.522
  278    HA   ASN  44           HA       ASN  44  -4.557   7.138   1.173
  279    HB2  ASN  44           HB2      ASN  44  -3.730   6.219   3.231
  280    HB3  ASN  44           HB1      ASN  44  -5.477   5.989   3.214
  281   HD21  ASN  44          HD21      ASN  44  -6.309   3.905   2.940
  282   HD22  ASN  44          HD22      ASN  44  -5.335   2.492   3.161
  283    H    SER  45           HN       SER  45  -2.137   6.375   1.845
  284    HA   SER  45           HA       SER  45  -1.040   4.418   0.074
  285    HB2  SER  45           HB2      SER  45  -1.627   6.564  -1.330
  286    HB3  SER  45           HB1      SER  45  -0.223   7.252  -0.526
  287    HG   SER  45           HG       SER  45  -0.275   5.683  -2.644
  288    H    MET  46           HN       MET  46   0.728   3.672   0.980
  289    HA   MET  46           HA       MET  46   2.169   5.374   2.871
  290    HB2  MET  46           HB2      MET  46   2.125   3.629   4.591
  291    HB3  MET  46           HB1      MET  46   0.502   4.182   4.205
  292    HG2  MET  46           HG2      MET  46   0.169   2.201   2.807
  293    HG3  MET  46           HG1      MET  46   1.794   1.650   3.209
  294    HE1  MET  46           HE1      MET  46  -1.700   1.959   6.212
  295    HE2  MET  46           HE2      MET  46  -1.855   2.251   4.478
  296    HE3  MET  46           HE3      MET  46  -0.935   3.371   5.483
  297    H    CYS  47           HN       CYS  47   4.217   4.641   3.396
  298    HA   CYS  47           HA       CYS  47   5.466   2.878   1.446
  299    HB2  CYS  47           HB2      CYS  47   6.733   4.296   3.796
  300    HB3  CYS  47           HB1      CYS  47   7.562   3.566   2.425
  301    H    ILE  48           HN       ILE  48   5.122   0.762   1.876
  302    HA   ILE  48           HA       ILE  48   5.128  -0.123   4.637
  303    HB   ILE  48           HB       ILE  48   4.074  -1.233   2.183
  304   HG12  ILE  48          HG12      ILE  48   3.764  -1.641   5.119
  305   HG13  ILE  48          HG11      ILE  48   2.566  -1.178   3.922
  306   HG21  ILE  48          HG21      ILE  48   4.644  -3.586   2.502
  307   HG22  ILE  48          HG22      ILE  48   5.775  -3.143   3.780
  308   HG23  ILE  48          HG23      ILE  48   6.072  -2.625   2.120
  309   HD11  ILE  48          HD11      ILE  48   2.121  -3.393   4.809
  310   HD12  ILE  48          HD12      ILE  48   3.714  -3.937   4.268
  311   HD13  ILE  48          HD13      ILE  48   2.491  -3.458   3.086
  312    H    ALA  49           HN       ALA  49   7.050  -0.232   5.548
  313    HA   ALA  49           HA       ALA  49   9.391  -0.945   4.049
  314    HB1  ALA  49           HB1      ALA  49   8.958  -0.698   7.033
  315    HB2  ALA  49           HB2      ALA  49   9.583   0.559   5.966
  316    HB3  ALA  49           HB3      ALA  49  10.518  -0.911   6.240
  317    H    GLU  50           HN       GLU  50  10.715  -2.876   5.014
  318    HA   GLU  50           HA       GLU  50   9.146  -5.176   4.488
  319    HB2  GLU  50           HB2      GLU  50  11.647  -4.921   4.196
  320    HB3  GLU  50           HB1      GLU  50  11.778  -5.168   5.936
  321    HG2  GLU  50           HG2      GLU  50  10.561  -7.317   5.644
  322    HG3  GLU  50           HG1      GLU  50  10.673  -7.076   3.899
  323    H    ILE  51           HN       ILE  51  10.137  -3.554   7.390
  324    HA   ILE  51           HA       ILE  51   9.285  -5.385   9.322
  325    HB   ILE  51           HB       ILE  51   9.089  -3.420  10.821
  326   HG12  ILE  51          HG12      ILE  51  10.083  -1.265   9.492
  327   HG13  ILE  51          HG11      ILE  51   9.126  -2.006   8.218
  328   HG21  ILE  51          HG21      ILE  51  11.445  -2.713  10.660
  329   HG22  ILE  51          HG22      ILE  51  11.545  -3.481   9.075
  330   HG23  ILE  51          HG23      ILE  51  11.246  -4.459  10.512
  331   HD11  ILE  51          HD11      ILE  51   7.146  -1.932   9.643
  332   HD12  ILE  51          HD12      ILE  51   7.839  -0.328   9.399
  333   HD13  ILE  51          HD13      ILE  51   8.097  -1.178  10.923
  334    H    ASP  52           HN       ASP  52   7.468  -3.404   7.160
  335    HA   ASP  52           HA       ASP  52   5.049  -3.617   8.791
  336    HB2  ASP  52           HB2      ASP  52   5.998  -1.725   6.786
  337    HB3  ASP  52           HB1      ASP  52   4.352  -2.259   6.470
  338    H    LEU  53           HN       LEU  53   6.594  -5.431   6.511
  339    HA   LEU  53           HA       LEU  53   4.330  -6.327   5.008
  340    HB2  LEU  53           HB2      LEU  53   6.890  -7.810   5.632
  341    HB3  LEU  53           HB1      LEU  53   5.726  -8.246   4.405
  342    HG   LEU  53           HG       LEU  53   7.425  -5.746   4.382
  343   HD11  LEU  53          HD11      LEU  53   7.610  -8.293   2.777
  344   HD12  LEU  53          HD12      LEU  53   8.745  -7.758   4.017
  345   HD13  LEU  53          HD13      LEU  53   8.576  -6.842   2.519
  346   HD21  LEU  53          HD21      LEU  53   6.582  -5.389   2.169
  347   HD22  LEU  53          HD22      LEU  53   5.212  -5.537   3.271
  348   HD23  LEU  53          HD23      LEU  53   5.662  -6.889   2.230
  349    H    ILE  54           HN       ILE  54   2.630  -7.185   6.040
  350    HA   ILE  54           HA       ILE  54   3.141  -8.885   8.395
  351    HB   ILE  54           HB       ILE  54   0.684  -7.178   7.993
  352   HG12  ILE  54          HG12      ILE  54   2.630  -5.682   8.144
  353   HG13  ILE  54          HG11      ILE  54   1.646  -5.576   9.597
  354   HG21  ILE  54          HG21      ILE  54   0.382  -9.050   9.487
  355   HG22  ILE  54          HG22      ILE  54   0.388  -7.546  10.409
  356   HG23  ILE  54          HG23      ILE  54   1.814  -8.584  10.405
  357   HD11  ILE  54          HD11      ILE  54   4.229  -7.084   9.307
  358   HD12  ILE  54          HD12      ILE  54   3.227  -7.056  10.758
  359   HD13  ILE  54          HD13      ILE  54   3.979  -5.569  10.175
  360    HA   PRO  55           HA       PRO  55   3.621 -10.666   8.415
  361    HB2  PRO  55           HB2      PRO  55   3.844 -13.193   7.047
  362    HB3  PRO  55           HB1      PRO  55   3.491 -12.894   8.748
  363    HG2  PRO  55           HG2      PRO  55   1.688 -13.946   6.973
  364    HG3  PRO  55           HG1      PRO  55   1.238 -13.054   8.438
  365    HD2  PRO  55           HD2      PRO  55   1.353 -12.111   5.600
  366    HD3  PRO  55           HD1      PRO  55   0.153 -11.754   6.861
  367    H    ARG  56           HN       ARG  56   5.851 -11.370   7.677
  368    HA   ARG  56           HA       ARG  56   6.573  -9.676   5.518
  369    HB2  ARG  56           HB2      ARG  56   7.987  -9.900   7.456
  370    HB3  ARG  56           HB1      ARG  56   8.178 -11.622   7.171
  371    HG2  ARG  56           HG2      ARG  56   9.696 -11.322   5.502
  372    HG3  ARG  56           HG1      ARG  56   9.042  -9.751   5.034
  373    HD2  ARG  56           HD2      ARG  56  11.227  -9.502   6.072
  374    HD3  ARG  56           HD1      ARG  56   9.966  -8.762   7.051
  375    HE   ARG  56           HE       ARG  56  10.237 -11.258   8.109
  376   HH11  ARG  56          HH11      ARG  56  12.481  -8.639   7.426
  377   HH12  ARG  56          HH12      ARG  56  13.482  -8.972   8.814
  378   HH21  ARG  56          HH21      ARG  56  11.585 -11.709   9.915
  379   HH22  ARG  56          HH22      ARG  56  12.997 -10.730  10.196
  380    H    ASP  57           HN       ASP  57   5.744 -12.960   5.659
  381    HA   ASP  57           HA       ASP  57   7.194 -13.884   3.372
  382    HB2  ASP  57           HB2      ASP  57   6.343 -15.432   5.103
  383    HB3  ASP  57           HB1      ASP  57   4.693 -14.978   4.686
  384    H    ARG  58           HN       ARG  58   3.858 -12.963   4.017
  385    HA   ARG  58           HA       ARG  58   3.743 -11.540   1.509
  386    HB2  ARG  58           HB2      ARG  58   2.963 -14.004   1.132
  387    HB3  ARG  58           HB1      ARG  58   1.517 -13.489   2.020
  388    HG2  ARG  58           HG2      ARG  58   1.157 -11.710   0.428
  389    HG3  ARG  58           HG1      ARG  58   2.605 -12.190  -0.453
  390    HD2  ARG  58           HD2      ARG  58   1.558 -14.405  -0.862
  391    HD3  ARG  58           HD1      ARG  58   0.086 -13.809  -0.094
  392    HE   ARG  58           HE       ARG  58   0.962 -12.101  -2.218
  393   HH11  ARG  58          HH11      ARG  58  -0.825 -15.038  -1.502
  394   HH12  ARG  58          HH12      ARG  58  -1.701 -15.010  -3.006
  395   HH21  ARG  58          HH21      ARG  58  -0.218 -12.059  -4.183
  396   HH22  ARG  58          HH22      ARG  58  -1.363 -13.332  -4.518
  397    HA   PRO  59           HA       PRO  59   1.673  -9.117   4.744
  398    HB2  PRO  59           HB2      PRO  59   1.153  -7.138   2.778
  399    HB3  PRO  59           HB1      PRO  59   2.365  -7.095   4.068
  400    HG2  PRO  59           HG2      PRO  59   2.704  -7.697   1.218
  401    HG3  PRO  59           HG1      PRO  59   3.896  -7.167   2.405
  402    HD2  PRO  59           HD2      PRO  59   3.791  -9.695   1.377
  403    HD3  PRO  59           HD1      PRO  59   4.454  -9.315   2.978
  404    H    PHE  60           HN       PHE  60  -0.190 -10.202   5.019
  405    HA   PHE  60           HA       PHE  60  -2.143 -10.585   3.024
  406    HB2  PHE  60           HB2      PHE  60  -3.575 -11.345   4.774
  407    HB3  PHE  60           HB1      PHE  60  -1.956 -11.890   5.150
  408    HD1  PHE  60           HD1      PHE  60  -3.842  -8.743   5.790
  409    HD2  PHE  60           HD2      PHE  60  -1.584 -11.965   7.436
  410    HE1  PHE  60           HE1      PHE  60  -4.012  -7.713   8.018
  411    HE2  PHE  60           HE2      PHE  60  -1.746 -10.924   9.667
  412    HZ   PHE  60           HZ       PHE  60  -2.959  -8.911  10.006
  413    H    VAL  61           HN       VAL  61  -1.178  -7.890   4.810
  414    HA   VAL  61           HA       VAL  61  -3.502  -6.332   4.874
  415    HB   VAL  61           HB       VAL  61  -0.720  -5.277   4.332
  416   HG11  VAL  61          HG11      VAL  61  -3.083  -4.061   5.760
  417   HG12  VAL  61          HG12      VAL  61  -2.510  -3.630   4.149
  418   HG13  VAL  61          HG13      VAL  61  -1.500  -3.312   5.558
  419   HG21  VAL  61          HG21      VAL  61  -0.601  -6.828   6.201
  420   HG22  VAL  61          HG22      VAL  61  -1.954  -6.012   6.985
  421   HG23  VAL  61          HG23      VAL  61  -0.422  -5.167   6.767
  422    H    CYS  62           HN       CYS  62  -1.382  -7.271   2.291
  423    HA   CYS  62           HA       CYS  62  -2.631  -5.417   0.460
  424    HB2  CYS  62           HB2      CYS  62  -0.151  -5.957   0.380
  425    HB3  CYS  62           HB1      CYS  62  -0.600  -7.546  -0.230
  426    H    ALA  63           HN       ALA  63  -3.697  -7.996   1.833
  427    HA   ALA  63           HA       ALA  63  -5.571  -8.499  -0.320
  428    HB1  ALA  63           HB1      ALA  63  -3.863 -10.233  -0.714
  429    HB2  ALA  63           HB2      ALA  63  -5.413 -10.924  -0.233
  430    HB3  ALA  63           HB3      ALA  63  -4.096 -10.819   0.934
  431    HA   PRO  64           HA       PRO  64  -6.937  -8.059   4.083
  432    HB2  PRO  64           HB2      PRO  64  -8.900  -6.139   3.162
  433    HB3  PRO  64           HB1      PRO  64  -7.503  -5.880   4.207
  434    HG2  PRO  64           HG2      PRO  64  -7.688  -4.886   1.680
  435    HG3  PRO  64           HG1      PRO  64  -6.148  -5.285   2.463
  436    HD2  PRO  64           HD2      PRO  64  -7.724  -6.864   0.461
  437    HD3  PRO  64           HD1      PRO  64  -5.968  -6.605   0.563
  438    H    SER  65           HN       SER  65  -8.044  -9.945   1.992
  439    HA   SER  65           HA       SER  65  -9.783 -11.384   1.764
  440    HB2  SER  65           HB2      SER  65 -10.513 -10.370   4.524
  441    HB3  SER  65           HB1      SER  65 -11.133 -11.840   3.771
  442    HG   SER  65           HG       SER  65  -8.358 -11.408   4.101
  443    H    SER  66           HN       SER  66 -10.055  -8.704   0.768
  444    HA   SER  66           HA       SER  66 -12.581  -7.579   1.206
  445    HB2  SER  66           HB2      SER  66 -10.994  -7.539  -1.374
  446    HB3  SER  66           HB1      SER  66 -12.186  -6.350  -0.841
  447    HG   SER  66           HG       SER  66  -9.840  -5.876  -0.520
  448    H    LYS  67           HN       LYS  67 -14.450  -8.671   0.984
  449    HA   LYS  67           HA       LYS  67 -14.787 -10.324  -1.429
  450    HB2  LYS  67           HB2      LYS  67 -15.894 -10.827   1.338
  451    HB3  LYS  67           HB1      LYS  67 -16.334 -11.749  -0.094
  452    HG2  LYS  67           HG2      LYS  67 -14.052 -12.527  -0.331
  453    HG3  LYS  67           HG1      LYS  67 -13.550 -11.535   1.039
  454    HD2  LYS  67           HD2      LYS  67 -15.558 -13.783   1.160
  455    HD3  LYS  67           HD1      LYS  67 -13.868 -13.899   1.653
  456    HE2  LYS  67           HE2      LYS  67 -15.900 -12.014   2.844
  457    HE3  LYS  67           HE1      LYS  67 -15.406 -13.549   3.554
  458    HZ1  LYS  67           HZ1      LYS  67 -13.566 -11.278   3.010
  459    HZ2  LYS  67           HZ2      LYS  67 -13.183 -12.723   3.813
  460    HZ3  LYS  67           HZ3      LYS  67 -14.257 -11.620   4.520
  461    H    THR  68           HN       THR  68 -16.861  -8.929   1.130
  462    HA   THR  68           HA       THR  68 -18.499  -7.725  -0.999
  463    HB   THR  68           HB       THR  68 -19.655  -9.108   1.430
  464    HG1  THR  68           HG1      THR  68 -18.885 -10.076  -1.048
  465   HG21  THR  68          HG21      THR  68 -20.941  -8.034  -1.085
  466   HG22  THR  68          HG22      THR  68 -21.046  -7.311   0.521
  467   HG23  THR  68          HG23      THR  68 -21.777  -8.886   0.214
  468    H    GLY  69           HN       GLY  69 -18.862  -5.624  -0.663
  469    HA2  GLY  69           HA2      GLY  69 -19.640  -3.801   0.651
  470    HA3  GLY  69           HA1      GLY  69 -19.106  -4.650   2.097
  471    H    SER  70           HN       SER  70 -16.636  -5.054   2.098
  472    HA   SER  70           HA       SER  70 -15.384  -2.480   1.790
  473    HB2  SER  70           HB2      SER  70 -14.149  -5.083   2.723
  474    HB3  SER  70           HB1      SER  70 -13.495  -3.460   2.951
  475    HG   SER  70           HG       SER  70 -15.626  -4.744   4.237
  476    H    VAL  71           HN       VAL  71 -15.255  -2.134  -0.427
  477    HA   VAL  71           HA       VAL  71 -13.776  -4.026  -2.054
  478    HB   VAL  71           HB       VAL  71 -14.706  -1.242  -2.790
  479   HG11  VAL  71          HG11      VAL  71 -12.930  -2.140  -4.226
  480   HG12  VAL  71          HG12      VAL  71 -14.461  -1.997  -5.090
  481   HG13  VAL  71          HG13      VAL  71 -13.908  -3.576  -4.528
  482   HG21  VAL  71          HG21      VAL  71 -16.603  -2.342  -3.882
  483   HG22  VAL  71          HG22      VAL  71 -16.601  -2.621  -2.139
  484   HG23  VAL  71          HG23      VAL  71 -16.067  -3.895  -3.238
  485    H    THR  72           HN       THR  72 -11.917  -3.937  -0.651
  486    HA   THR  72           HA       THR  72 -10.317  -1.506  -0.799
  487    HB   THR  72           HB       THR  72  -9.710  -4.119   0.600
  488    HG1  THR  72           HG1      THR  72 -10.273  -1.966   2.176
  489   HG21  THR  72          HG21      THR  72  -8.464  -1.376   0.866
  490   HG22  THR  72          HG22      THR  72  -7.714  -2.784   0.115
  491   HG23  THR  72          HG23      THR  72  -8.063  -2.788   1.844
  492    H    THR  73           HN       THR  73  -9.328  -1.263  -2.684
  493    HA   THR  73           HA       THR  73  -8.178  -3.587  -4.021
  494    HB   THR  73           HB       THR  73  -7.677  -1.953  -5.864
  495    HG1  THR  73           HG1      THR  73  -7.808   0.083  -5.305
  496   HG21  THR  73          HG21      THR  73  -9.685  -3.356  -5.898
  497   HG22  THR  73          HG22      THR  73  -9.997  -1.779  -6.625
  498   HG23  THR  73          HG23      THR  73 -10.564  -2.123  -4.989
  499    H    THR  74           HN       THR  74  -6.354  -4.142  -3.050
  500    HA   THR  74           HA       THR  74  -4.525  -2.110  -2.060
  501    HB   THR  74           HB       THR  74  -3.315  -4.307  -1.282
  502    HG1  THR  74           HG1      THR  74  -4.395  -6.062  -1.766
  503   HG21  THR  74          HG21      THR  74  -5.950  -3.420  -0.097
  504   HG22  THR  74          HG22      THR  74  -4.384  -2.665   0.199
  505   HG23  THR  74          HG23      THR  74  -4.683  -4.314   0.744
  506    H    TYR  75           HN       TYR  75  -2.603  -1.647  -2.917
  507    HA   TYR  75           HA       TYR  75  -1.680  -3.293  -5.185
  508    HB2  TYR  75           HB2      TYR  75  -0.892  -0.421  -4.924
  509    HB3  TYR  75           HB1      TYR  75  -1.033  -1.414  -6.369
  510    HD1  TYR  75           HD2      TYR  75  -3.635  -2.396  -6.467
  511    HD2  TYR  75           HD1      TYR  75  -2.352   1.367  -4.971
  512    HE1  TYR  75           HE2      TYR  75  -5.844  -1.476  -6.944
  513    HE2  TYR  75           HE1      TYR  75  -4.566   2.319  -5.442
  514    HH   TYR  75           HH       TYR  75  -7.270   0.458  -6.145
  515    H    CYS  76           HN       CYS  76   0.051  -4.447  -4.425
  516    HA   CYS  76           HA       CYS  76   2.119  -2.894  -3.031
  517    HB2  CYS  76           HB2      CYS  76   2.955  -5.286  -2.363
  518    HB3  CYS  76           HB1      CYS  76   1.688  -4.501  -1.435
  519    H    CYS  77           HN       CYS  77   3.960  -2.631  -4.034
  520    HA   CYS  77           HA       CYS  77   4.784  -4.461  -6.140
  521    HB2  CYS  77           HB2      CYS  77   5.176  -2.440  -7.666
  522    HB3  CYS  77           HB1      CYS  77   3.516  -2.995  -7.487
  523    H    ASN  78           HN       ASN  78   7.008  -4.213  -6.722
  524    HA   ASN  78           HA       ASN  78   8.515  -3.071  -4.470
  525    HB2  ASN  78           HB2      ASN  78   9.250  -5.199  -6.483
  526    HB3  ASN  78           HB1      ASN  78  10.404  -4.508  -5.347
  527   HD21  ASN  78          HD21      ASN  78  10.155  -4.917  -3.130
  528   HD22  ASN  78          HD22      ASN  78   9.200  -6.239  -2.559
  529    H    GLN  79           HN       GLN  79   7.475  -1.810  -7.093
  530    HA   GLN  79           HA       GLN  79   9.970  -0.712  -8.128
  531    HB2  GLN  79           HB2      GLN  79   7.110  -0.052  -8.863
  532    HB3  GLN  79           HB1      GLN  79   8.549   0.490  -9.713
  533    HG2  GLN  79           HG2      GLN  79   9.065  -1.832 -10.297
  534    HG3  GLN  79           HG1      GLN  79   7.596  -2.355  -9.473
  535   HE21  GLN  79          HE21      GLN  79   6.124   0.026 -10.386
  536   HE22  GLN  79          HE22      GLN  79   5.771  -0.253 -12.055
  537    H    ASP  80           HN       ASP  80  10.653   1.368  -7.714
  538    HA   ASP  80           HA       ASP  80   9.643   2.649  -5.384
  539    HB2  ASP  80           HB2      ASP  80  11.323   4.348  -5.777
  540    HB3  ASP  80           HB1      ASP  80  12.026   2.759  -6.056
  541    H    HIS  81           HN       HIS  81   8.510   4.540  -5.164
  542    HA   HIS  81           HA       HIS  81   6.955   6.144  -5.613
  543    HB2  HIS  81           HB2      HIS  81   8.990   6.842  -7.078
  544    HB3  HIS  81           HB1      HIS  81   7.996   6.313  -8.430
  545    HD1  HIS  81           HD1      HIS  81   6.938   8.273  -9.499
  546    HD2  HIS  81           HD2      HIS  81   7.191   8.697  -5.368
  547    HE1  HIS  81           HE1      HIS  81   5.868  10.492  -8.973
  548    HE2  HIS  81           HE2      HIS  81   5.855  10.628  -6.456
  549    H    CYS  82           HN       CYS  82   6.204   3.458  -5.984
  550    HA   CYS  82           HA       CYS  82   4.624   3.368  -8.450
  551    HB2  CYS  82           HB2      CYS  82   6.175   1.562  -8.140
  552    HB3  CYS  82           HB1      CYS  82   5.604   1.272  -6.508
  553    H    ASN  83           HN       ASN  83   3.946   4.641  -5.647
  554    HA   ASN  83           HA       ASN  83   1.775   2.982  -4.683
  555    HB2  ASN  83           HB2      ASN  83   3.313   5.263  -3.703
  556    HB3  ASN  83           HB1      ASN  83   1.600   5.365  -3.316
  557   HD21  ASN  83          HD21      ASN  83   2.051   5.088  -1.126
  558   HD22  ASN  83          HD22      ASN  83   2.485   3.538  -0.476
  559    H    LYS  84           HN       LYS  84   1.277   3.903  -7.320
  560    HA   LYS  84           HA       LYS  84  -1.455   4.457  -6.687
  561    HB2  LYS  84           HB2      LYS  84  -0.341   6.768  -6.867
  562    HB3  LYS  84           HB1      LYS  84  -0.290   6.454  -8.600
  563    HG2  LYS  84           HG2      LYS  84  -2.782   5.947  -8.413
  564    HG3  LYS  84           HG1      LYS  84  -2.693   6.701  -6.818
  565    HD2  LYS  84           HD2      LYS  84  -3.424   8.324  -8.453
  566    HD3  LYS  84           HD1      LYS  84  -1.811   8.752  -7.874
  567    HE2  LYS  84           HE2      LYS  84  -2.085   8.980 -10.330
  568    HE3  LYS  84           HE1      LYS  84  -0.802   7.870  -9.858
  569    HZ1  LYS  84           HZ1      LYS  84  -2.255   6.014 -10.312
  570    HZ2  LYS  84           HZ2      LYS  84  -2.162   7.008 -11.678
  571    HZ3  LYS  84           HZ3      LYS  84  -3.537   7.054 -10.688
  572    H    ILE  85           HN       ILE  85   0.281   2.458  -8.158
  573    HA   ILE  85           HA       ILE  85  -1.067   2.481 -10.744
  574    HB   ILE  85           HB       ILE  85   0.201   0.646 -11.389
  575   HG12  ILE  85          HG12      ILE  85  -0.367  -0.878  -9.559
  576   HG13  ILE  85          HG11      ILE  85   1.358  -0.918  -9.889
  577   HG21  ILE  85          HG21      ILE  85   1.935   2.121  -9.420
  578   HG22  ILE  85          HG22      ILE  85   1.648   2.542 -11.107
  579   HG23  ILE  85          HG23      ILE  85   2.527   1.069 -10.704
  580   HD11  ILE  85          HD11      ILE  85   1.770   0.475  -7.943
  581   HD12  ILE  85          HD12      ILE  85   0.894  -0.993  -7.511
  582   HD13  ILE  85          HD13      ILE  85   0.038   0.546  -7.620
  583    H    GLU  86           HN       GLU  86  -2.500   0.603 -11.308
  584    HA   GLU  86           HA       GLU  86  -3.723  -0.487  -8.866
  585    HB2  GLU  86           HB2      GLU  86  -5.163   1.144 -10.097
  586    HB3  GLU  86           HB1      GLU  86  -5.182   0.021 -11.453
  587    HG2  GLU  86           HG2      GLU  86  -6.312  -1.631 -10.182
  588    HG3  GLU  86           HG1      GLU  86  -6.083  -0.726  -8.681
  589    H    LEU  87           HN       LEU  87  -3.634  -2.561  -8.616
  590    HA   LEU  87           HA       LEU  87  -2.753  -4.332 -10.707
  591    HB2  LEU  87           HB2      LEU  87  -3.523  -4.679  -7.818
  592    HB3  LEU  87           HB1      LEU  87  -3.273  -6.071  -8.850
  593    HG   LEU  87           HG       LEU  87  -0.942  -5.385  -9.224
  594   HD11  LEU  87          HD11      LEU  87   0.057  -3.584  -7.924
  595   HD12  LEU  87          HD12      LEU  87  -1.527  -3.162  -7.272
  596   HD13  LEU  87          HD13      LEU  87  -1.201  -2.965  -8.994
  597   HD21  LEU  87          HD21      LEU  87  -0.116  -5.837  -6.963
  598   HD22  LEU  87          HD22      LEU  87  -1.459  -6.897  -7.391
  599   HD23  LEU  87          HD23      LEU  87  -1.726  -5.524  -6.314
  600    HA   PRO  88           HA       PRO  88  -6.801  -5.281 -12.219
  601    HB2  PRO  88           HB2      PRO  88  -5.732  -7.879 -13.076
  602    HB3  PRO  88           HB1      PRO  88  -6.356  -6.543 -14.049
  603    HG2  PRO  88           HG2      PRO  88  -3.736  -7.153 -13.983
  604    HG3  PRO  88           HG1      PRO  88  -4.314  -5.486 -14.151
  605    HD2  PRO  88           HD2      PRO  88  -3.265  -6.892 -11.723
  606    HD3  PRO  88           HD1      PRO  88  -2.966  -5.232 -12.284
  607    H    THR  89           HN       THR  89  -7.923  -5.541 -10.305
  608    HA   THR  89           HA       THR  89  -9.288  -6.624  -8.875
  609    HB   THR  89           HB       THR  89  -8.666  -9.151 -10.407
  610    HG1  THR  89           HG1      THR  89  -9.626  -6.970 -11.423
  611   HG21  THR  89          HG21      THR  89  -9.879  -9.462  -8.287
  612   HG22  THR  89          HG22      THR  89 -10.899  -9.834  -9.677
  613   HG23  THR  89          HG23      THR  89 -11.099  -8.305  -8.821
  614    H    THR  90           HN       THR  90  -7.814  -6.229  -7.159
  615    HA   THR  90           HA       THR  90  -6.667  -8.727  -6.108
  616    HB   THR  90           HB       THR  90  -5.288  -7.132  -4.618
  617    HG1  THR  90           HG1      THR  90  -5.015  -5.073  -5.359
  618   HG21  THR  90          HG21      THR  90  -4.691  -7.298  -7.571
  619   HG22  THR  90          HG22      THR  90  -4.329  -8.542  -6.377
  620   HG23  THR  90          HG23      THR  90  -3.518  -6.977  -6.294
  621    H    VAL  91           HN       VAL  91  -7.541  -9.477  -4.294
  622    HA   VAL  91           HA       VAL  91  -9.016  -7.758  -2.479
  623    HB   VAL  91           HB       VAL  91 -11.060  -9.299  -2.641
  624   HG11  VAL  91          HG11      VAL  91 -10.454  -7.371  -4.879
  625   HG12  VAL  91          HG12      VAL  91 -11.183  -6.986  -3.319
  626   HG13  VAL  91          HG13      VAL  91 -12.060  -7.982  -4.482
  627   HG21  VAL  91          HG21      VAL  91 -11.481 -10.282  -4.856
  628   HG22  VAL  91          HG22      VAL  91 -10.107 -11.030  -4.045
  629   HG23  VAL  91          HG23      VAL  91  -9.837  -9.865  -5.340
  630    HN1  NH2  92           HN1      NH2  92  -8.362 -11.175  -3.352
  Start of MODEL    7
    1    H1   GLY   5           HN       GLY   5  16.555   1.785  -8.978
    2    HA2  GLY   5           HA2      GLY   5  16.437   2.445  -6.118
    3    HA3  GLY   5           HA1      GLY   5  15.773   3.602  -7.264
    4    H    SER   6           HN       SER   6  14.658   1.816  -9.101
    5    HA   SER   6           HA       SER   6  12.251   1.076  -7.714
    6    HB2  SER   6           HB2      SER   6  12.357   2.087 -10.034
    7    HB3  SER   6           HB1      SER   6  12.985   0.543 -10.602
    8    HG   SER   6           HG       SER   6  10.949   0.089 -10.836
    9    H    ALA   7           HN       ALA   7  13.508  -0.425  -6.321
   10    HA   ALA   7           HA       ALA   7  13.147  -3.111  -6.754
   11    HB1  ALA   7           HB1      ALA   7  15.365  -3.963  -7.325
   12    HB2  ALA   7           HB2      ALA   7  15.964  -2.314  -7.500
   13    HB3  ALA   7           HB3      ALA   7  14.743  -2.931  -8.613
   14    H    THR   8           HN       THR   8  16.112  -1.409  -5.731
   15    HA   THR   8           HA       THR   8  15.865  -2.692  -3.119
   16    HB   THR   8           HB       THR   8  18.234  -1.243  -4.313
   17    HG1  THR   8           HG1      THR   8  17.402  -3.958  -4.228
   18   HG21  THR   8          HG21      THR   8  19.502  -2.282  -2.492
   19   HG22  THR   8          HG22      THR   8  18.020  -2.994  -1.855
   20   HG23  THR   8          HG23      THR   8  18.232  -1.242  -1.852
   21    H    ALA   9           HN       ALA   9  14.344  -1.472  -2.288
   22    HA   ALA   9           HA       ALA   9  13.729  -0.011  -0.567
   23    HB1  ALA   9           HB1      ALA   9  15.136   1.828   0.148
   24    HB2  ALA   9           HB2      ALA   9  16.198   1.586  -1.239
   25    HB3  ALA   9           HB3      ALA   9  16.092   0.352   0.014
   26    H    LEU  10           HN       LEU  10  11.941   0.883  -1.186
   27    HA   LEU  10           HA       LEU  10  11.878   2.375  -3.694
   28    HB2  LEU  10           HB2      LEU  10   9.700   1.138  -2.015
   29    HB3  LEU  10           HB1      LEU  10   9.401   2.045  -3.478
   30    HG   LEU  10           HG       LEU  10   9.267  -0.191  -4.127
   31   HD11  LEU  10          HD11      LEU  10  12.079   0.696  -4.732
   32   HD12  LEU  10          HD12      LEU  10  10.631   1.097  -5.655
   33   HD13  LEU  10          HD13      LEU  10  11.198  -0.571  -5.585
   34   HD21  LEU  10          HD21      LEU  10  11.804  -0.736  -2.597
   35   HD22  LEU  10          HD22      LEU  10  10.906  -1.911  -3.557
   36   HD23  LEU  10          HD23      LEU  10  10.175  -1.210  -2.113
   37    H    GLN  11           HN       GLN  11  10.816   4.375  -3.880
   38    HA   GLN  11           HA       GLN  11  10.327   5.758  -1.324
   39    HB2  GLN  11           HB2      GLN  11  12.085   6.689  -2.923
   40    HB3  GLN  11           HB1      GLN  11  10.772   7.037  -4.032
   41    HG2  GLN  11           HG2      GLN  11  11.060   9.046  -2.975
   42    HG3  GLN  11           HG1      GLN  11   9.779   8.319  -2.004
   43   HE21  GLN  11          HE21      GLN  11  10.290   9.529  -0.213
   44   HE22  GLN  11          HE22      GLN  11  11.706   9.254   0.735
   45    H    CYS  12           HN       CYS  12   8.210   5.594  -0.867
   46    HA   CYS  12           HA       CYS  12   6.327   5.612  -3.137
   47    HB2  CYS  12           HB2      CYS  12   6.040   4.044  -0.567
   48    HB3  CYS  12           HB1      CYS  12   4.958   3.991  -1.957
   49    H    PHE  13           HN       PHE  13   4.695   6.969  -3.085
   50    HA   PHE  13           HA       PHE  13   4.518   9.144  -1.398
   51    HB2  PHE  13           HB2      PHE  13   3.453   9.323  -3.474
   52    HB3  PHE  13           HB1      PHE  13   2.592   7.803  -3.269
   53    HD1  PHE  13           HD1      PHE  13   2.778  11.205  -1.725
   54    HD2  PHE  13           HD2      PHE  13   0.379   7.857  -2.807
   55    HE1  PHE  13           HE1      PHE  13   0.767  12.424  -1.002
   56    HE2  PHE  13           HE2      PHE  13  -1.643   9.075  -2.082
   57    HZ   PHE  13           HZ       PHE  13  -1.448  11.359  -1.181
   58    H    CYS  14           HN       CYS  14   3.591   9.574   0.532
   59    HA   CYS  14           HA       CYS  14   1.791   7.579   1.681
   60    HB2  CYS  14           HB2      CYS  14   3.122   8.177   3.908
   61    HB3  CYS  14           HB1      CYS  14   3.613   6.864   2.843
   62    H    HIS  15           HN       HIS  15   0.187   8.335   3.002
   63    HA   HIS  15           HA       HIS  15  -0.569  11.040   2.595
   64    HB2  HIS  15           HB2      HIS  15  -2.596  10.532   3.740
   65    HB3  HIS  15           HB1      HIS  15  -2.170   9.126   2.778
   66    HD1  HIS  15           HD1      HIS  15  -2.795  10.236   6.258
   67    HD2  HIS  15           HD2      HIS  15  -1.283   6.882   4.314
   68    HE1  HIS  15           HE1      HIS  15  -2.806   8.395   7.970
   69    HE2  HIS  15           HE2      HIS  15  -1.788   6.400   6.810
   70    H    LEU  16           HN       LEU  16   0.987   9.400   5.233
   71    HA   LEU  16           HA       LEU  16   0.376  11.509   7.120
   72    HB2  LEU  16           HB2      LEU  16   0.339   9.146   7.809
   73    HB3  LEU  16           HB1      LEU  16   2.037   9.001   7.401
   74    HG   LEU  16           HG       LEU  16   2.603  10.600   9.158
   75   HD11  LEU  16          HD11      LEU  16   0.559  11.916   9.147
   76   HD12  LEU  16          HD12      LEU  16   0.902  11.314  10.768
   77   HD13  LEU  16          HD13      LEU  16  -0.343  10.542   9.785
   78   HD21  LEU  16          HD21      LEU  16   0.874   8.321  10.113
   79   HD22  LEU  16          HD22      LEU  16   2.100   9.160  11.065
   80   HD23  LEU  16          HD23      LEU  16   2.574   8.208   9.657
   81    H    CYS  17           HN       CYS  17   2.523  11.096   4.695
   82    HA   CYS  17           HA       CYS  17   4.870  12.168   6.015
   83    HB2  CYS  17           HB2      CYS  17   4.318  11.385   3.155
   84    HB3  CYS  17           HB1      CYS  17   5.867  11.971   3.749
   85    H    THR  18           HN       THR  18   3.032  12.970   3.103
   86    HA   THR  18           HA       THR  18   2.700  14.864   1.943
   87    HB   THR  18           HB       THR  18   1.918  16.823   3.356
   88    HG1  THR  18           HG1      THR  18   1.258  16.093   5.511
   89   HG21  THR  18          HG21      THR  18   0.422  15.280   2.216
   90   HG22  THR  18          HG22      THR  18  -0.233  15.737   3.788
   91   HG23  THR  18          HG23      THR  18   0.532  14.163   3.575
   92    H    LYS  19           HN       LYS  19   4.156  16.488   4.757
   93    HA   LYS  19           HA       LYS  19   5.735  18.079   2.960
   94    HB2  LYS  19           HB2      LYS  19   6.662  18.965   5.238
   95    HB3  LYS  19           HB1      LYS  19   5.019  19.360   4.752
   96    HG2  LYS  19           HG2      LYS  19   4.904  18.768   7.020
   97    HG3  LYS  19           HG1      LYS  19   4.268  17.387   6.129
   98    HD2  LYS  19           HD2      LYS  19   6.649  16.443   6.273
   99    HD3  LYS  19           HD1      LYS  19   6.920  17.679   7.505
  100    HE2  LYS  19           HE2      LYS  19   4.933  16.781   8.727
  101    HE3  LYS  19           HE1      LYS  19   4.875  15.468   7.548
  102    HZ1  LYS  19           HZ1      LYS  19   6.052  14.834   9.575
  103    HZ2  LYS  19           HZ2      LYS  19   7.177  16.076   9.326
  104    HZ3  LYS  19           HZ3      LYS  19   7.078  14.786   8.224
  105    H    ASP  20           HN       ASP  20   6.132  15.102   4.402
  106    HA   ASP  20           HA       ASP  20   9.014  15.094   4.385
  107    HB2  ASP  20           HB2      ASP  20   6.867  13.041   4.750
  108    HB3  ASP  20           HB1      ASP  20   8.445  12.480   4.228
  109    H    ASN  21           HN       ASN  21   8.324  16.228   2.023
  110    HA   ASN  21           HA       ASN  21   8.505  16.085  -0.256
  111    HB2  ASN  21           HB2      ASN  21  10.645  14.900   0.356
  112    HB3  ASN  21           HB1      ASN  21   9.777  13.375   0.253
  113   HD21  ASN  21          HD21      ASN  21  11.027  12.557  -1.411
  114   HD22  ASN  21          HD22      ASN  21  10.964  13.197  -3.025
  115    H    PHE  22           HN       PHE  22   6.301  14.768   1.375
  116    HA   PHE  22           HA       PHE  22   4.361  13.657   1.061
  117    HB2  PHE  22           HB2      PHE  22   5.172  13.729  -1.851
  118    HB3  PHE  22           HB1      PHE  22   3.623  13.125  -1.277
  119    HD1  PHE  22           HD2      PHE  22   1.986  14.657  -0.291
  120    HD2  PHE  22           HD1      PHE  22   5.631  16.066  -1.974
  121    HE1  PHE  22           HE2      PHE  22   1.062  16.936  -0.379
  122    HE2  PHE  22           HE1      PHE  22   4.713  18.345  -2.066
  123    HZ   PHE  22           HZ       PHE  22   2.425  18.784  -1.268
  124    H    THR  23           HN       THR  23   7.106  12.258   1.315
  125    HA   THR  23           HA       THR  23   6.133   9.580   1.008
  126    HB   THR  23           HB       THR  23   6.548  10.061  -1.341
  127    HG1  THR  23           HG1      THR  23   7.076   7.935  -0.415
  128   HG21  THR  23          HG21      THR  23   8.798  10.525  -2.164
  129   HG22  THR  23          HG22      THR  23   9.425  10.494  -0.512
  130   HG23  THR  23          HG23      THR  23   8.308  11.772  -1.013
  131    H    CYS  24           HN       CYS  24   7.709   7.934   1.487
  132    HA   CYS  24           HA       CYS  24  10.222   8.851   2.620
  133    HB2  CYS  24           HB2      CYS  24   9.871   6.990   4.403
  134    HB3  CYS  24           HB1      CYS  24   9.142   8.568   4.649
  135    H    VAL  25           HN       VAL  25  11.795   7.055   2.785
  136    HA   VAL  25           HA       VAL  25  11.410   5.236   0.564
  137    HB   VAL  25           HB       VAL  25  13.539   6.483   0.777
  138   HG11  VAL  25          HG11      VAL  25  15.219   5.741   2.405
  139   HG12  VAL  25          HG12      VAL  25  13.998   4.730   3.179
  140   HG13  VAL  25          HG13      VAL  25  13.816   6.484   3.171
  141   HG21  VAL  25          HG21      VAL  25  15.014   4.558   0.293
  142   HG22  VAL  25          HG22      VAL  25  13.476   4.496  -0.568
  143   HG23  VAL  25          HG23      VAL  25  13.735   3.473   0.849
  144    H    THR  26           HN       THR  26  11.056   3.154   0.702
  145    HA   THR  26           HA       THR  26  10.708   1.969   3.378
  146    HB   THR  26           HB       THR  26   8.626   1.775   2.484
  147    HG1  THR  26           HG1      THR  26   8.355  -0.325   1.902
  148   HG21  THR  26          HG21      THR  26   8.146   1.410   0.075
  149   HG22  THR  26          HG22      THR  26   9.877   1.501  -0.249
  150   HG23  THR  26          HG23      THR  26   9.023   2.904   0.397
  151    H    ASP  27           HN       ASP  27  11.232  -0.164   3.727
  152    HA   ASP  27           HA       ASP  27  13.548  -1.097   2.210
  153    HB2  ASP  27           HB2      ASP  27  13.754  -0.797   4.644
  154    HB3  ASP  27           HB1      ASP  27  12.420  -1.913   4.896
  155    H    GLY  28           HN       GLY  28  10.317  -1.488   1.995
  156    HA2  GLY  28           HA2      GLY  28  10.549  -4.371   1.388
  157    HA3  GLY  28           HA1      GLY  28   9.106  -3.669   2.109
  158    H    LEU  29           HN       LEU  29   8.089  -1.854   0.773
  159    HA   LEU  29           HA       LEU  29   8.396  -1.820  -1.999
  160    HB2  LEU  29           HB2      LEU  29   6.208  -2.976  -2.595
  161    HB3  LEU  29           HB1      LEU  29   7.590  -3.990  -2.266
  162    HG   LEU  29           HG       LEU  29   5.622  -3.500  -0.054
  163   HD11  LEU  29          HD11      LEU  29   4.284  -5.377  -0.841
  164   HD12  LEU  29          HD12      LEU  29   5.257  -5.465  -2.308
  165   HD13  LEU  29          HD13      LEU  29   4.249  -4.051  -2.003
  166   HD21  LEU  29          HD21      LEU  29   7.288  -5.864  -0.912
  167   HD22  LEU  29          HD22      LEU  29   6.260  -5.790   0.519
  168   HD23  LEU  29          HD23      LEU  29   7.677  -4.748   0.396
  169    H    CYS  30           HN       CYS  30   5.961  -1.114  -2.937
  170    HA   CYS  30           HA       CYS  30   5.394   1.274  -1.392
  171    HB2  CYS  30           HB2      CYS  30   4.537   0.293  -4.101
  172    HB3  CYS  30           HB1      CYS  30   3.724   1.656  -3.339
  173    H    PHE  31           HN       PHE  31   3.027   1.910  -1.102
  174    HA   PHE  31           HA       PHE  31   1.275  -0.326  -0.527
  175    HB2  PHE  31           HB2      PHE  31   2.637  -0.325   1.418
  176    HB3  PHE  31           HB1      PHE  31   2.494   1.400   1.621
  177    HD1  PHE  31           HD1      PHE  31   0.604  -1.774   1.733
  178    HD2  PHE  31           HD2      PHE  31   0.785   2.297   2.927
  179    HE1  PHE  31           HE1      PHE  31  -1.316  -2.137   3.215
  180    HE2  PHE  31           HE2      PHE  31  -1.136   1.942   4.414
  181    HZ   PHE  31           HZ       PHE  31  -2.114  -0.274   4.660
  182    H    VAL  32           HN       VAL  32  -0.301   0.650  -1.838
  183    HA   VAL  32           HA       VAL  32  -1.671   2.632  -0.185
  184    HB   VAL  32           HB       VAL  32  -1.738   2.486  -3.211
  185   HG11  VAL  32          HG11      VAL  32  -3.995   2.883  -2.403
  186   HG12  VAL  32          HG12      VAL  32  -3.337   4.348  -3.132
  187   HG13  VAL  32          HG13      VAL  32  -3.417   4.196  -1.376
  188   HG21  VAL  32          HG21      VAL  32  -0.997   4.841  -3.046
  189   HG22  VAL  32          HG22      VAL  32   0.165   3.691  -2.386
  190   HG23  VAL  32          HG23      VAL  32  -0.853   4.636  -1.301
  191    H    SER  33           HN       SER  33  -3.368   1.738   0.750
  192    HA   SER  33           HA       SER  33  -4.754  -0.486  -0.579
  193    HB2  SER  33           HB2      SER  33  -5.132   0.337   2.288
  194    HB3  SER  33           HB1      SER  33  -5.403  -1.240   1.545
  195    HG   SER  33           HG       SER  33  -3.317  -1.683   1.669
  196    H    VAL  34           HN       VAL  34  -6.416   0.226  -1.753
  197    HA   VAL  34           HA       VAL  34  -8.105   2.354  -0.632
  198    HB   VAL  34           HB       VAL  34  -8.101   1.149  -3.420
  199   HG11  VAL  34          HG11      VAL  34 -10.315   1.945  -2.799
  200   HG12  VAL  34          HG12      VAL  34  -9.593   3.004  -4.012
  201   HG13  VAL  34          HG13      VAL  34  -9.638   3.500  -2.321
  202   HG21  VAL  34          HG21      VAL  34  -7.074   3.806  -2.429
  203   HG22  VAL  34          HG22      VAL  34  -7.162   3.311  -4.117
  204   HG23  VAL  34          HG23      VAL  34  -6.096   2.456  -3.002
  205    H    THR  35           HN       THR  35  -9.427   1.327   0.786
  206    HA   THR  35           HA       THR  35 -10.795  -1.140  -0.020
  207    HB   THR  35           HB       THR  35 -10.689   0.152   2.718
  208    HG1  THR  35           HG1      THR  35  -9.313  -2.204   2.313
  209   HG21  THR  35          HG21      THR  35 -11.446  -2.027   3.522
  210   HG22  THR  35          HG22      THR  35 -11.502  -2.630   1.866
  211   HG23  THR  35          HG23      THR  35 -12.602  -1.349   2.375
  212    H    GLU  36           HN       GLU  36 -12.571  -0.491  -1.215
  213    HA   GLU  36           HA       GLU  36 -14.219   1.697  -0.155
  214    HB2  GLU  36           HB2      GLU  36 -14.388   0.306  -2.837
  215    HB3  GLU  36           HB1      GLU  36 -15.293   1.732  -2.344
  216    HG2  GLU  36           HG2      GLU  36 -13.281   3.038  -2.235
  217    HG3  GLU  36           HG1      GLU  36 -12.292   1.610  -2.536
  218    H    THR  37           HN       THR  37 -15.224   0.779   1.456
  219    HA   THR  37           HA       THR  37 -16.957  -1.508   0.923
  220    HB   THR  37           HB       THR  37 -17.397  -1.425   3.383
  221    HG1  THR  37           HG1      THR  37 -15.262   0.431   3.572
  222   HG21  THR  37          HG21      THR  37 -15.618  -2.847   2.492
  223   HG22  THR  37          HG22      THR  37 -15.168  -2.191   4.067
  224   HG23  THR  37          HG23      THR  37 -14.483  -1.502   2.592
  225    H    THR  38           HN       THR  38 -19.235  -1.307   1.930
  226    HA   THR  38           HA       THR  38 -20.539   0.997   0.892
  227    HB   THR  38           HB       THR  38 -22.513   0.048   2.251
  228    HG1  THR  38           HG1      THR  38 -21.682  -1.350   3.676
  229   HG21  THR  38          HG21      THR  38 -22.280  -0.252  -0.161
  230   HG22  THR  38          HG22      THR  38 -22.897  -1.724   0.586
  231   HG23  THR  38          HG23      THR  38 -21.204  -1.624   0.101
  232    H    ASP  39           HN       ASP  39 -18.797   0.432   3.649
  233    HA   ASP  39           HA       ASP  39 -20.070   2.192   5.493
  234    HB2  ASP  39           HB2      ASP  39 -18.383   0.463   6.119
  235    HB3  ASP  39           HB1      ASP  39 -17.156   1.391   5.263
  236    H    LYS  40           HN       LYS  40 -17.087   2.481   3.677
  237    HA   LYS  40           HA       LYS  40 -17.645   5.095   2.671
  238    HB2  LYS  40           HB2      LYS  40 -15.681   6.106   3.973
  239    HB3  LYS  40           HB1      LYS  40 -17.173   5.846   4.874
  240    HG2  LYS  40           HG2      LYS  40 -16.234   3.684   5.675
  241    HG3  LYS  40           HG1      LYS  40 -14.711   4.123   4.906
  242    HD2  LYS  40           HD2      LYS  40 -14.329   5.875   6.403
  243    HD3  LYS  40           HD1      LYS  40 -16.024   5.929   6.910
  244    HE2  LYS  40           HE2      LYS  40 -14.698   3.352   7.334
  245    HE3  LYS  40           HE1      LYS  40 -14.025   4.678   8.288
  246    HZ1  LYS  40           HZ1      LYS  40 -16.910   3.960   8.196
  247    HZ2  LYS  40           HZ2      LYS  40 -16.170   5.094   9.225
  248    HZ3  LYS  40           HZ3      LYS  40 -15.837   3.449   9.402
  249    H    VAL  41           HN       VAL  41 -15.900   5.893   1.357
  250    HA   VAL  41           HA       VAL  41 -14.282   3.811   0.215
  251    HB   VAL  41           HB       VAL  41 -14.328   6.783  -0.362
  252   HG11  VAL  41          HG11      VAL  41 -13.070   4.514  -1.908
  253   HG12  VAL  41          HG12      VAL  41 -12.209   5.779  -1.030
  254   HG13  VAL  41          HG13      VAL  41 -13.173   6.190  -2.448
  255   HG21  VAL  41          HG21      VAL  41 -15.634   6.131  -2.345
  256   HG22  VAL  41          HG22      VAL  41 -16.458   5.721  -0.840
  257   HG23  VAL  41          HG23      VAL  41 -15.646   4.462  -1.771
  258    H    ILE  42           HN       ILE  42 -12.635   3.133   1.424
  259    HA   ILE  42           HA       ILE  42 -11.140   5.072   3.033
  260    HB   ILE  42           HB       ILE  42 -10.914   2.056   3.087
  261   HG12  ILE  42          HG12      ILE  42 -12.493   3.807   4.987
  262   HG13  ILE  42          HG11      ILE  42 -13.217   2.886   3.672
  263   HG21  ILE  42          HG21      ILE  42 -10.034   4.175   5.048
  264   HG22  ILE  42          HG22      ILE  42  -8.984   3.238   3.985
  265   HG23  ILE  42          HG23      ILE  42  -9.874   2.433   5.278
  266   HD11  ILE  42          HD11      ILE  42 -12.438   0.816   4.695
  267   HD12  ILE  42          HD12      ILE  42 -13.450   1.743   5.800
  268   HD13  ILE  42          HD13      ILE  42 -11.698   1.735   6.004
  269    H    HIS  43           HN       HIS  43  -9.079   5.595   2.486
  270    HA   HIS  43           HA       HIS  43  -7.547   3.940   0.712
  271    HB2  HIS  43           HB2      HIS  43  -7.346   5.624  -1.094
  272    HB3  HIS  43           HB1      HIS  43  -8.977   4.991  -0.947
  273    HD1  HIS  43           HD1      HIS  43  -7.233   8.065  -1.393
  274    HD2  HIS  43           HD2      HIS  43 -10.668   6.914   0.650
  275    HE1  HIS  43           HE1      HIS  43  -8.522  10.184  -0.984
  276    HE2  HIS  43           HE2      HIS  43 -10.659   9.451   0.135
  277    H    ASN  44           HN       ASN  44  -5.527   4.102   1.412
  278    HA   ASN  44           HA       ASN  44  -4.535   6.741   2.042
  279    HB2  ASN  44           HB2      ASN  44  -4.414   4.452   3.998
  280    HB3  ASN  44           HB1      ASN  44  -3.331   5.838   4.090
  281   HD21  ASN  44          HD21      ASN  44  -6.520   4.658   4.661
  282   HD22  ASN  44          HD22      ASN  44  -7.145   6.102   5.405
  283    H    SER  45           HN       SER  45  -2.042   6.113   2.969
  284    HA   SER  45           HA       SER  45  -0.697   4.473   1.033
  285    HB2  SER  45           HB2      SER  45   0.532   6.487   0.065
  286    HB3  SER  45           HB1      SER  45  -1.140   6.287  -0.455
  287    HG   SER  45           HG       SER  45  -1.281   8.293   0.184
  288    H    MET  46           HN       MET  46   1.122   3.778   1.878
  289    HA   MET  46           HA       MET  46   2.612   5.489   3.701
  290    HB2  MET  46           HB2      MET  46   1.031   4.173   5.107
  291    HB3  MET  46           HB1      MET  46   1.690   2.695   4.431
  292    HG2  MET  46           HG2      MET  46   3.844   3.168   5.445
  293    HG3  MET  46           HG1      MET  46   3.225   4.692   6.077
  294    HE1  MET  46           HE1      MET  46   3.922   4.116   8.559
  295    HE2  MET  46           HE2      MET  46   4.658   2.637   7.939
  296    HE3  MET  46           HE3      MET  46   3.576   2.567   9.329
  297    H    CYS  47           HN       CYS  47   4.791   4.748   3.932
  298    HA   CYS  47           HA       CYS  47   5.767   3.144   1.723
  299    HB2  CYS  47           HB2      CYS  47   7.402   4.094   4.072
  300    HB3  CYS  47           HB1      CYS  47   7.964   3.677   2.464
  301    H    ILE  48           HN       ILE  48   4.903   1.132   2.083
  302    HA   ILE  48           HA       ILE  48   5.116  -0.031   4.661
  303    HB   ILE  48           HB       ILE  48   3.424  -0.546   2.691
  304   HG12  ILE  48          HG12      ILE  48   4.470  -2.114   4.928
  305   HG13  ILE  48          HG11      ILE  48   2.852  -1.491   4.631
  306   HG21  ILE  48          HG21      ILE  48   5.617  -2.544   2.190
  307   HG22  ILE  48          HG22      ILE  48   4.923  -1.395   1.045
  308   HG23  ILE  48          HG23      ILE  48   3.950  -2.744   1.636
  309   HD11  ILE  48          HD11      ILE  48   2.840  -3.910   4.654
  310   HD12  ILE  48          HD12      ILE  48   4.053  -3.948   3.373
  311   HD13  ILE  48          HD13      ILE  48   2.442  -3.305   3.046
  312    H    ALA  49           HN       ALA  49   7.071  -0.392   5.448
  313    HA   ALA  49           HA       ALA  49   9.235  -1.290   3.779
  314    HB1  ALA  49           HB1      ALA  49   9.692   0.216   5.648
  315    HB2  ALA  49           HB2      ALA  49  10.555  -1.312   5.844
  316    HB3  ALA  49           HB3      ALA  49   9.094  -0.996   6.780
  317    H    GLU  50           HN       GLU  50  10.506  -3.238   4.533
  318    HA   GLU  50           HA       GLU  50   8.915  -5.524   4.289
  319    HB2  GLU  50           HB2      GLU  50  11.344  -5.475   3.819
  320    HB3  GLU  50           HB1      GLU  50  11.650  -5.364   5.550
  321    HG2  GLU  50           HG2      GLU  50  10.616  -7.529   5.896
  322    HG3  GLU  50           HG1      GLU  50  10.242  -7.642   4.178
  323    H    ILE  51           HN       ILE  51  10.093  -3.857   7.136
  324    HA   ILE  51           HA       ILE  51   9.251  -5.761   9.049
  325    HB   ILE  51           HB       ILE  51   9.503  -3.969  10.708
  326   HG12  ILE  51          HG12      ILE  51  10.600  -1.808   9.479
  327   HG13  ILE  51          HG11      ILE  51   9.386  -2.266   8.289
  328   HG21  ILE  51          HG21      ILE  51  11.883  -3.523  10.326
  329   HG22  ILE  51          HG22      ILE  51  11.703  -4.040   8.649
  330   HG23  ILE  51          HG23      ILE  51  11.465  -5.197   9.960
  331   HD11  ILE  51          HD11      ILE  51   7.653  -2.122   9.995
  332   HD12  ILE  51          HD12      ILE  51   8.531  -0.602   9.833
  333   HD13  ILE  51          HD13      ILE  51   8.867  -1.672  11.193
  334    H    ASP  52           HN       ASP  52   7.598  -3.368   7.218
  335    HA   ASP  52           HA       ASP  52   5.273  -3.246   8.937
  336    HB2  ASP  52           HB2      ASP  52   5.867  -2.102   6.203
  337    HB3  ASP  52           HB1      ASP  52   4.315  -1.927   6.996
  338    H    LEU  53           HN       LEU  53   6.305  -4.911   6.018
  339    HA   LEU  53           HA       LEU  53   3.975  -6.045   5.156
  340    HB2  LEU  53           HB2      LEU  53   6.786  -6.986   5.221
  341    HB3  LEU  53           HB1      LEU  53   5.558  -8.174   4.853
  342    HG   LEU  53           HG       LEU  53   4.814  -6.793   2.946
  343   HD11  LEU  53          HD11      LEU  53   6.225  -4.949   2.177
  344   HD12  LEU  53          HD12      LEU  53   7.187  -5.078   3.650
  345   HD13  LEU  53          HD13      LEU  53   5.492  -4.606   3.743
  346   HD21  LEU  53          HD21      LEU  53   6.759  -7.239   1.529
  347   HD22  LEU  53          HD22      LEU  53   6.405  -8.590   2.606
  348   HD23  LEU  53          HD23      LEU  53   7.743  -7.499   2.968
  349    H    ILE  54           HN       ILE  54   2.425  -6.798   6.440
  350    HA   ILE  54           HA       ILE  54   3.084  -9.029   8.234
  351    HB   ILE  54           HB       ILE  54   1.012  -6.922   8.872
  352   HG12  ILE  54          HG12      ILE  54   3.804  -7.208  10.015
  353   HG13  ILE  54          HG11      ILE  54   3.273  -5.926   8.924
  354   HG21  ILE  54          HG21      ILE  54   1.034  -7.953  11.095
  355   HG22  ILE  54          HG22      ILE  54   2.233  -9.122  10.541
  356   HG23  ILE  54          HG23      ILE  54   0.614  -9.124   9.843
  357   HD11  ILE  54          HD11      ILE  54   2.260  -6.437  11.711
  358   HD12  ILE  54          HD12      ILE  54   1.666  -5.187  10.616
  359   HD13  ILE  54          HD13      ILE  54   3.333  -5.132  11.195
  360    HA   PRO  55           HA       PRO  55   2.783 -11.043   8.285
  361    HB2  PRO  55           HB2      PRO  55   2.683 -13.068   6.406
  362    HB3  PRO  55           HB1      PRO  55   1.813 -13.070   7.944
  363    HG2  PRO  55           HG2      PRO  55   0.848 -12.431   5.204
  364    HG3  PRO  55           HG1      PRO  55   0.001 -13.239   6.534
  365    HD2  PRO  55           HD2      PRO  55  -0.461 -10.664   5.845
  366    HD3  PRO  55           HD1      PRO  55  -0.613 -11.249   7.514
  367    H    ARG  56           HN       ARG  56   4.847 -11.797   7.401
  368    HA   ARG  56           HA       ARG  56   5.886  -9.849   5.594
  369    HB2  ARG  56           HB2      ARG  56   7.088 -10.802   7.584
  370    HB3  ARG  56           HB1      ARG  56   7.300 -12.287   6.671
  371    HG2  ARG  56           HG2      ARG  56   8.710 -11.227   5.095
  372    HG3  ARG  56           HG1      ARG  56   8.287  -9.621   5.696
  373    HD2  ARG  56           HD2      ARG  56   9.801 -11.745   7.218
  374    HD3  ARG  56           HD1      ARG  56  10.503 -10.310   6.472
  375    HE   ARG  56           HE       ARG  56   8.503  -9.436   8.199
  376   HH11  ARG  56          HH11      ARG  56  11.616 -11.054   8.409
  377   HH12  ARG  56          HH12      ARG  56  11.925 -10.493  10.031
  378   HH21  ARG  56          HH21      ARG  56   8.916  -8.700  10.295
  379   HH22  ARG  56          HH22      ARG  56  10.386  -9.153  11.107
  380    H    ASP  57           HN       ASP  57   4.664 -13.033   5.236
  381    HA   ASP  57           HA       ASP  57   5.962 -13.675   2.767
  382    HB2  ASP  57           HB2      ASP  57   3.291 -14.722   3.739
  383    HB3  ASP  57           HB1      ASP  57   4.354 -15.468   2.553
  384    H    ARG  58           HN       ARG  58   3.028 -12.068   3.715
  385    HA   ARG  58           HA       ARG  58   2.684 -10.745   1.242
  386    HB2  ARG  58           HB2      ARG  58   0.300 -11.776   0.951
  387    HB3  ARG  58           HB1      ARG  58   1.692 -12.600   0.261
  388    HG2  ARG  58           HG2      ARG  58   1.729 -14.086   2.240
  389    HG3  ARG  58           HG1      ARG  58   0.267 -13.291   2.828
  390    HD2  ARG  58           HD2      ARG  58   0.478 -14.647   0.146
  391    HD3  ARG  58           HD1      ARG  58  -0.112 -15.449   1.601
  392    HE   ARG  58           HE       ARG  58  -1.823 -13.536   1.614
  393   HH11  ARG  58          HH11      ARG  58  -0.425 -14.841  -1.335
  394   HH12  ARG  58          HH12      ARG  58  -1.861 -14.565  -2.278
  395   HH21  ARG  58          HH21      ARG  58  -3.701 -13.186   0.370
  396   HH22  ARG  58          HH22      ARG  58  -3.718 -13.638  -1.305
  397    HA   PRO  59           HA       PRO  59   1.171  -8.479   4.887
  398    HB2  PRO  59           HB2      PRO  59   0.915  -6.151   3.339
  399    HB3  PRO  59           HB1      PRO  59   2.254  -6.561   4.405
  400    HG2  PRO  59           HG2      PRO  59   2.043  -6.762   1.469
  401    HG3  PRO  59           HG1      PRO  59   3.472  -6.516   2.480
  402    HD2  PRO  59           HD2      PRO  59   2.926  -8.862   1.253
  403    HD3  PRO  59           HD1      PRO  59   3.793  -8.768   2.800
  404    H    PHE  60           HN       PHE  60  -0.917  -8.694   5.417
  405    HA   PHE  60           HA       PHE  60  -2.978  -8.913   3.479
  406    HB2  PHE  60           HB2      PHE  60  -4.528  -8.875   5.422
  407    HB3  PHE  60           HB1      PHE  60  -3.243 -10.071   5.539
  408    HD1  PHE  60           HD1      PHE  60  -3.102  -6.433   6.274
  409    HD2  PHE  60           HD2      PHE  60  -3.017 -10.396   7.847
  410    HE1  PHE  60           HE1      PHE  60  -2.492  -5.533   8.482
  411    HE2  PHE  60           HE2      PHE  60  -2.392  -9.493  10.063
  412    HZ   PHE  60           HZ       PHE  60  -2.156  -7.090  10.394
  413    H    VAL  61           HN       VAL  61  -1.458  -6.228   4.888
  414    HA   VAL  61           HA       VAL  61  -3.497  -4.306   4.428
  415    HB   VAL  61           HB       VAL  61  -1.422  -2.753   4.359
  416   HG11  VAL  61          HG11      VAL  61  -2.880  -2.958   6.302
  417   HG12  VAL  61          HG12      VAL  61  -1.192  -2.834   6.798
  418   HG13  VAL  61          HG13      VAL  61  -2.005  -4.399   6.816
  419   HG21  VAL  61          HG21      VAL  61  -0.141  -5.316   5.248
  420   HG22  VAL  61          HG22      VAL  61   0.582  -3.716   5.414
  421   HG23  VAL  61          HG23      VAL  61   0.248  -4.369   3.811
  422    H    CYS  62           HN       CYS  62  -2.088  -6.330   2.476
  423    HA   CYS  62           HA       CYS  62  -2.470  -4.690   0.138
  424    HB2  CYS  62           HB2      CYS  62  -0.073  -6.439   0.671
  425    HB3  CYS  62           HB1      CYS  62  -0.489  -5.822  -0.910
  426    H    ALA  63           HN       ALA  63  -2.584  -7.801   1.739
  427    HA   ALA  63           HA       ALA  63  -4.521  -8.594  -0.314
  428    HB1  ALA  63           HB1      ALA  63  -2.624 -10.467   1.097
  429    HB2  ALA  63           HB2      ALA  63  -2.413  -9.884  -0.560
  430    HB3  ALA  63           HB3      ALA  63  -3.805 -10.888  -0.149
  431    HA   PRO  64           HA       PRO  64  -6.374  -8.757   3.902
  432    HB2  PRO  64           HB2      PRO  64  -8.583  -7.192   3.068
  433    HB3  PRO  64           HB1      PRO  64  -7.208  -6.657   4.032
  434    HG2  PRO  64           HG2      PRO  64  -7.822  -5.819   1.435
  435    HG3  PRO  64           HG1      PRO  64  -6.281  -5.575   2.275
  436    HD2  PRO  64           HD2      PRO  64  -7.033  -7.616   0.237
  437    HD3  PRO  64           HD1      PRO  64  -5.468  -6.824   0.524
  438    H    SER  65           HN       SER  65  -9.034  -8.909   4.251
  439    HA   SER  65           HA       SER  65  -9.728 -11.396   2.999
  440    HB2  SER  65           HB2      SER  65 -10.291 -10.908   5.372
  441    HB3  SER  65           HB1      SER  65 -11.392  -9.644   4.828
  442    HG   SER  65           HG       SER  65 -12.774 -11.240   4.866
  443    H    SER  66           HN       SER  66  -9.732 -10.655   0.800
  444    HA   SER  66           HA       SER  66 -11.825  -8.809   0.005
  445    HB2  SER  66           HB2      SER  66  -9.982 -10.383  -1.805
  446    HB3  SER  66           HB1      SER  66 -10.852  -8.894  -2.175
  447    HG   SER  66           HG       SER  66  -9.534  -8.025  -0.318
  448    H    LYS  67           HN       LYS  67 -13.577 -10.080   0.748
  449    HA   LYS  67           HA       LYS  67 -14.277 -12.286  -1.078
  450    HB2  LYS  67           HB2      LYS  67 -13.861 -13.061   1.243
  451    HB3  LYS  67           HB1      LYS  67 -15.104 -11.959   1.818
  452    HG2  LYS  67           HG2      LYS  67 -16.762 -13.178   0.455
  453    HG3  LYS  67           HG1      LYS  67 -15.496 -14.316  -0.014
  454    HD2  LYS  67           HD2      LYS  67 -15.153 -14.852   2.381
  455    HD3  LYS  67           HD1      LYS  67 -16.515 -13.801   2.780
  456    HE2  LYS  67           HE2      LYS  67 -17.976 -15.200   1.379
  457    HE3  LYS  67           HE1      LYS  67 -16.609 -16.260   1.036
  458    HZ1  LYS  67           HZ1      LYS  67 -17.869 -17.241   2.764
  459    HZ2  LYS  67           HZ2      LYS  67 -17.920 -15.800   3.658
  460    HZ3  LYS  67           HZ3      LYS  67 -16.455 -16.638   3.483
  461    H    THR  68           HN       THR  68 -15.800 -10.064   1.240
  462    HA   THR  68           HA       THR  68 -17.438  -8.905  -0.823
  463    HB   THR  68           HB       THR  68 -18.811 -10.834  -0.346
  464    HG1  THR  68           HG1      THR  68 -20.474  -9.546  -0.389
  465   HG21  THR  68          HG21      THR  68 -19.656 -11.337   1.889
  466   HG22  THR  68          HG22      THR  68 -18.697 -10.015   2.557
  467   HG23  THR  68          HG23      THR  68 -17.894 -11.416   1.850
  468    H    GLY  69           HN       GLY  69 -18.248  -6.895  -0.219
  469    HA2  GLY  69           HA2      GLY  69 -18.361  -4.942   0.984
  470    HA3  GLY  69           HA1      GLY  69 -18.367  -5.934   2.436
  471    H    SER  70           HN       SER  70 -16.036  -5.155  -0.133
  472    HA   SER  70           HA       SER  70 -14.173  -4.074   1.780
  473    HB2  SER  70           HB2      SER  70 -12.386  -5.774   1.016
  474    HB3  SER  70           HB1      SER  70 -13.574  -6.310   2.205
  475    HG   SER  70           HG       SER  70 -14.691  -7.363   0.585
  476    H    VAL  71           HN       VAL  71 -13.803  -5.671  -1.373
  477    HA   VAL  71           HA       VAL  71 -12.742  -5.009  -3.279
  478    HB   VAL  71           HB       VAL  71 -14.161  -2.381  -2.871
  479   HG11  VAL  71          HG11      VAL  71 -14.259  -2.360  -5.321
  480   HG12  VAL  71          HG12      VAL  71 -13.381  -3.889  -5.363
  481   HG13  VAL  71          HG13      VAL  71 -12.598  -2.439  -4.733
  482   HG21  VAL  71          HG21      VAL  71 -16.087  -3.378  -4.041
  483   HG22  VAL  71          HG22      VAL  71 -15.781  -4.142  -2.481
  484   HG23  VAL  71          HG23      VAL  71 -15.292  -4.950  -3.970
  485    H    THR  72           HN       THR  72 -10.779  -5.020  -1.931
  486    HA   THR  72           HA       THR  72  -9.738  -2.344  -1.375
  487    HB   THR  72           HB       THR  72  -8.644  -5.011  -0.458
  488    HG1  THR  72           HG1      THR  72 -10.752  -3.549   0.415
  489   HG21  THR  72          HG21      THR  72  -7.387  -3.636   1.155
  490   HG22  THR  72          HG22      THR  72  -8.041  -2.178   0.410
  491   HG23  THR  72          HG23      THR  72  -6.969  -3.233  -0.510
  492    H    THR  73           HN       THR  73  -8.899  -1.619  -3.243
  493    HA   THR  73           HA       THR  73  -7.280  -3.413  -4.860
  494    HB   THR  73           HB       THR  73  -7.125  -1.431  -6.417
  495    HG1  THR  73           HG1      THR  73  -9.279  -0.281  -4.990
  496   HG21  THR  73          HG21      THR  73  -8.762  -3.192  -6.784
  497   HG22  THR  73          HG22      THR  73  -9.470  -1.626  -7.179
  498   HG23  THR  73          HG23      THR  73  -9.880  -2.420  -5.656
  499    H    THR  74           HN       THR  74  -5.431  -3.763  -3.865
  500    HA   THR  74           HA       THR  74  -4.089  -1.595  -2.463
  501    HB   THR  74           HB       THR  74  -2.619  -3.696  -1.809
  502    HG1  THR  74           HG1      THR  74  -3.611  -5.598  -2.139
  503   HG21  THR  74          HG21      THR  74  -4.171  -4.106   0.071
  504   HG22  THR  74          HG22      THR  74  -5.409  -3.178  -0.773
  505   HG23  THR  74          HG23      THR  74  -3.929  -2.386  -0.232
  506    H    TYR  75           HN       TYR  75  -2.458  -0.579  -3.331
  507    HA   TYR  75           HA       TYR  75  -1.083  -1.765  -5.648
  508    HB2  TYR  75           HB2      TYR  75  -0.833   1.111  -4.805
  509    HB3  TYR  75           HB1      TYR  75  -0.693   0.408  -6.417
  510    HD1  TYR  75           HD2      TYR  75  -2.950  -0.782  -7.250
  511    HD2  TYR  75           HD1      TYR  75  -2.750   2.288  -4.323
  512    HE1  TYR  75           HE2      TYR  75  -5.310  -0.243  -7.665
  513    HE2  TYR  75           HE1      TYR  75  -5.112   2.830  -4.721
  514    HH   TYR  75           HH       TYR  75  -7.237   0.918  -6.058
  515    H    CYS  76           HN       CYS  76   0.400  -3.042  -4.624
  516    HA   CYS  76           HA       CYS  76   2.476  -1.649  -3.068
  517    HB2  CYS  76           HB2      CYS  76   1.638  -4.480  -2.439
  518    HB3  CYS  76           HB1      CYS  76   2.583  -3.375  -1.448
  519    H    CYS  77           HN       CYS  77   4.389  -1.866  -4.164
  520    HA   CYS  77           HA       CYS  77   5.195  -4.448  -5.129
  521    HB2  CYS  77           HB2      CYS  77   5.662  -3.248  -7.464
  522    HB3  CYS  77           HB1      CYS  77   4.162  -4.105  -7.132
  523    H    ASN  78           HN       ASN  78   7.370  -4.594  -5.692
  524    HA   ASN  78           HA       ASN  78   9.173  -2.762  -4.476
  525    HB2  ASN  78           HB2      ASN  78   9.618  -5.103  -6.325
  526    HB3  ASN  78           HB1      ASN  78  10.935  -4.184  -5.606
  527   HD21  ASN  78          HD21      ASN  78  11.345  -4.366  -3.421
  528   HD22  ASN  78          HD22      ASN  78  10.655  -5.612  -2.444
  529    H    GLN  79           HN       GLN  79   7.523  -1.789  -6.789
  530    HA   GLN  79           HA       GLN  79   9.662  -0.761  -8.502
  531    HB2  GLN  79           HB2      GLN  79   6.662  -0.663  -8.824
  532    HB3  GLN  79           HB1      GLN  79   7.790   0.136  -9.911
  533    HG2  GLN  79           HG2      GLN  79   7.784  -2.823  -9.374
  534    HG3  GLN  79           HG1      GLN  79   6.938  -2.061 -10.719
  535   HE21  GLN  79          HE21      GLN  79  10.048  -2.847  -9.357
  536   HE22  GLN  79          HE22      GLN  79  10.967  -2.570 -10.793
  537    H    ASP  80           HN       ASP  80  10.207   1.369  -8.550
  538    HA   ASP  80           HA       ASP  80   9.728   2.845  -6.181
  539    HB2  ASP  80           HB2      ASP  80  11.820   3.120  -7.358
  540    HB3  ASP  80           HB1      ASP  80  10.986   3.684  -8.804
  541    H    HIS  81           HN       HIS  81   8.044   4.029  -5.648
  542    HA   HIS  81           HA       HIS  81   6.230   5.392  -5.718
  543    HB2  HIS  81           HB2      HIS  81   7.473   6.155  -8.358
  544    HB3  HIS  81           HB1      HIS  81   5.976   6.876  -7.788
  545    HD1  HIS  81           HD1      HIS  81   9.664   6.928  -7.278
  546    HD2  HIS  81           HD2      HIS  81   6.262   8.667  -5.627
  547    HE1  HIS  81           HE1      HIS  81  10.492   8.841  -5.879
  548    HE2  HIS  81           HE2      HIS  81   8.410  10.030  -5.120
  549    H    CYS  82           HN       CYS  82   6.072   2.606  -6.739
  550    HA   CYS  82           HA       CYS  82   4.282   2.752  -9.011
  551    HB2  CYS  82           HB2      CYS  82   4.311   0.361  -9.025
  552    HB3  CYS  82           HB1      CYS  82   5.957   0.926  -8.766
  553    H    ASN  83           HN       ASN  83   3.625   3.616  -6.044
  554    HA   ASN  83           HA       ASN  83   1.238   2.019  -5.680
  555    HB2  ASN  83           HB2      ASN  83   0.818   3.514  -3.714
  556    HB3  ASN  83           HB1      ASN  83   2.325   2.618  -3.641
  557   HD21  ASN  83          HD21      ASN  83   1.538   4.977  -2.220
  558   HD22  ASN  83          HD22      ASN  83   2.687   6.207  -2.606
  559    H    LYS  84           HN       LYS  84   0.557   5.237  -4.882
  560    HA   LYS  84           HA       LYS  84  -0.864   6.802  -5.778
  561    HB2  LYS  84           HB2      LYS  84  -0.037   7.782  -7.888
  562    HB3  LYS  84           HB1      LYS  84   1.266   7.469  -6.751
  563    HG2  LYS  84           HG2      LYS  84   1.913   5.493  -7.972
  564    HG3  LYS  84           HG1      LYS  84   0.540   5.682  -9.060
  565    HD2  LYS  84           HD2      LYS  84   1.477   7.808  -9.850
  566    HD3  LYS  84           HD1      LYS  84   2.865   7.585  -8.779
  567    HE2  LYS  84           HE2      LYS  84   3.340   6.896 -11.100
  568    HE3  LYS  84           HE1      LYS  84   3.487   5.560  -9.957
  569    HZ1  LYS  84           HZ1      LYS  84   1.313   6.077 -11.903
  570    HZ2  LYS  84           HZ2      LYS  84   1.119   5.014 -10.601
  571    HZ3  LYS  84           HZ3      LYS  84   2.296   4.700 -11.769
  572    H    ILE  85           HN       ILE  85  -2.000   4.218  -6.037
  573    HA   ILE  85           HA       ILE  85  -3.607   3.037  -7.061
  574    HB   ILE  85           HB       ILE  85  -4.101   5.606  -8.580
  575   HG12  ILE  85          HG12      ILE  85  -6.213   5.501  -7.074
  576   HG13  ILE  85          HG11      ILE  85  -5.299   4.335  -6.121
  577   HG21  ILE  85          HG21      ILE  85  -5.754   3.082  -8.514
  578   HG22  ILE  85          HG22      ILE  85  -4.917   3.756  -9.913
  579   HG23  ILE  85          HG23      ILE  85  -6.278   4.621  -9.200
  580   HD11  ILE  85          HD11      ILE  85  -5.173   6.574  -5.183
  581   HD12  ILE  85          HD12      ILE  85  -4.473   7.175  -6.686
  582   HD13  ILE  85          HD13      ILE  85  -3.587   6.007  -5.705
  583    H    GLU  86           HN       GLU  86  -1.866   1.766  -7.789
  584    HA   GLU  86           HA       GLU  86  -2.004   1.165 -10.560
  585    HB2  GLU  86           HB2      GLU  86  -0.398   3.013 -10.714
  586    HB3  GLU  86           HB1      GLU  86   0.611   2.256  -9.488
  587    HG2  GLU  86           HG2      GLU  86   0.913   0.325 -11.012
  588    HG3  GLU  86           HG1      GLU  86   0.033   1.223 -12.253
  589    H    LEU  87           HN       LEU  87  -2.475  -0.930  -9.963
  590    HA   LEU  87           HA       LEU  87  -0.476  -2.266  -8.281
  591    HB2  LEU  87           HB2      LEU  87  -2.110  -3.722  -7.392
  592    HB3  LEU  87           HB1      LEU  87  -2.714  -2.091  -7.239
  593    HG   LEU  87           HG       LEU  87  -3.637  -4.107  -9.301
  594   HD11  LEU  87          HD11      LEU  87  -4.299  -4.736  -7.053
  595   HD12  LEU  87          HD12      LEU  87  -5.696  -4.160  -7.964
  596   HD13  LEU  87          HD13      LEU  87  -4.932  -3.116  -6.765
  597   HD21  LEU  87          HD21      LEU  87  -5.570  -2.415  -9.439
  598   HD22  LEU  87          HD22      LEU  87  -4.075  -2.034 -10.280
  599   HD23  LEU  87          HD23      LEU  87  -4.434  -1.265  -8.731
  600    HA   PRO  88           HA       PRO  88   0.400  -4.819 -11.765
  601    HB2  PRO  88           HB2      PRO  88   2.035  -6.578 -10.557
  602    HB3  PRO  88           HB1      PRO  88   2.508  -4.893 -10.807
  603    HG2  PRO  88           HG2      PRO  88   1.467  -6.220  -8.337
  604    HG3  PRO  88           HG1      PRO  88   2.793  -5.056  -8.510
  605    HD2  PRO  88           HD2      PRO  88   0.269  -4.377  -7.694
  606    HD3  PRO  88           HD1      PRO  88   1.376  -3.260  -8.516
  607    H    THR  89           HN       THR  89  -2.127  -5.310 -10.709
  608    HA   THR  89           HA       THR  89  -3.775  -6.851 -10.623
  609    HB   THR  89           HB       THR  89  -1.783  -8.791 -11.812
  610    HG1  THR  89           HG1      THR  89  -2.299  -7.944 -13.765
  611   HG21  THR  89          HG21      THR  89  -3.781  -9.876 -12.729
  612   HG22  THR  89          HG22      THR  89  -4.803  -8.686 -11.924
  613   HG23  THR  89          HG23      THR  89  -3.850  -9.821 -10.968
  614    H    THR  90           HN       THR  90  -3.770  -6.811  -8.348
  615    HA   THR  90           HA       THR  90  -3.595  -9.382  -7.182
  616    HB   THR  90           HB       THR  90  -1.194  -8.809  -7.037
  617    HG1  THR  90           HG1      THR  90  -1.065  -9.589  -5.037
  618   HG21  THR  90          HG21      THR  90  -1.360  -6.374  -6.929
  619   HG22  THR  90          HG22      THR  90  -0.450  -6.997  -5.552
  620   HG23  THR  90          HG23      THR  90  -2.125  -6.486  -5.343
  621    H    VAL  91           HN       VAL  91  -4.829  -9.474  -5.314
  622    HA   VAL  91           HA       VAL  91  -5.822  -7.026  -4.098
  623    HB   VAL  91           HB       VAL  91  -7.773  -8.991  -5.330
  624   HG11  VAL  91          HG11      VAL  91  -8.225  -6.364  -3.915
  625   HG12  VAL  91          HG12      VAL  91  -8.609  -7.969  -3.296
  626   HG13  VAL  91          HG13      VAL  91  -9.477  -7.332  -4.692
  627   HG21  VAL  91          HG21      VAL  91  -6.753  -7.691  -7.108
  628   HG22  VAL  91          HG22      VAL  91  -7.086  -6.195  -6.235
  629   HG23  VAL  91          HG23      VAL  91  -8.418  -7.170  -6.859
  630    HN1  NH2  92           HN1      NH2  92  -5.112  -7.711  -2.088
  Start of MODEL    8
    1    H1   GLY   5           HN       GLY   5  15.025   2.918  -8.056
    2    HA2  GLY   5           HA2      GLY   5  17.551   1.436  -7.635
    3    HA3  GLY   5           HA1      GLY   5  16.516   1.914  -6.297
    4    H    SER   6           HN       SER   6  14.057   1.316  -7.086
    5    HA   SER   6           HA       SER   6  12.558  -0.346  -6.893
    6    HB2  SER   6           HB2      SER   6  12.598  -2.084  -8.674
    7    HB3  SER   6           HB1      SER   6  12.774  -0.441  -9.287
    8    HG   SER   6           HG       SER   6  15.187  -1.544  -8.729
    9    H    ALA   7           HN       ALA   7  12.246  -1.705  -5.340
   10    HA   ALA   7           HA       ALA   7  12.530  -3.270  -3.731
   11    HB1  ALA   7           HB1      ALA   7  14.810  -4.330  -5.399
   12    HB2  ALA   7           HB2      ALA   7  13.127  -4.846  -5.508
   13    HB3  ALA   7           HB3      ALA   7  14.047  -5.145  -4.033
   14    H    THR   8           HN       THR   8  15.646  -2.004  -4.881
   15    HA   THR   8           HA       THR   8  16.692  -1.842  -2.199
   16    HB   THR   8           HB       THR   8  17.805  -0.592  -4.721
   17    HG1  THR   8           HG1      THR   8  18.492  -2.528  -5.256
   18   HG21  THR   8          HG21      THR   8  19.133  -1.385  -2.121
   19   HG22  THR   8          HG22      THR   8  18.771   0.265  -2.628
   20   HG23  THR   8          HG23      THR   8  19.943  -0.697  -3.529
   21    H    ALA   9           HN       ALA   9  15.337  -0.523  -1.068
   22    HA   ALA   9           HA       ALA   9  14.572   1.402  -0.144
   23    HB1  ALA   9           HB1      ALA   9  16.558   2.775  -1.949
   24    HB2  ALA   9           HB2      ALA   9  16.888   2.166  -0.328
   25    HB3  ALA   9           HB3      ALA   9  15.748   3.491  -0.556
   26    H    LEU  10           HN       LEU  10  12.492   1.435  -0.790
   27    HA   LEU  10           HA       LEU  10  11.843   2.527  -3.430
   28    HB2  LEU  10           HB2      LEU  10  10.150   1.087  -1.394
   29    HB3  LEU  10           HB1      LEU  10   9.493   1.829  -2.835
   30    HG   LEU  10           HG       LEU  10   9.665  -0.418  -3.388
   31   HD11  LEU  10          HD11      LEU  10  12.192   0.889  -4.381
   32   HD12  LEU  10          HD12      LEU  10  10.592   1.007  -5.115
   33   HD13  LEU  10          HD13      LEU  10  11.433  -0.542  -5.079
   34   HD21  LEU  10          HD21      LEU  10  12.430  -0.447  -2.184
   35   HD22  LEU  10          HD22      LEU  10  11.623  -1.807  -2.964
   36   HD23  LEU  10          HD23      LEU  10  10.976  -1.142  -1.465
   37    H    GLN  11           HN       GLN  11  11.278   4.565  -3.641
   38    HA   GLN  11           HA       GLN  11  10.082   5.903  -1.299
   39    HB2  GLN  11           HB2      GLN  11  12.103   6.994  -2.267
   40    HB3  GLN  11           HB1      GLN  11  11.247   7.179  -3.789
   41    HG2  GLN  11           HG2      GLN  11   9.579   8.575  -2.648
   42    HG3  GLN  11           HG1      GLN  11  10.496   8.421  -1.154
   43   HE21  GLN  11          HE21      GLN  11  13.073   8.552  -2.522
   44   HE22  GLN  11          HE22      GLN  11  13.286  10.202  -2.989
   45    H    CYS  12           HN       CYS  12   8.016   5.305  -1.449
   46    HA   CYS  12           HA       CYS  12   6.662   5.839  -3.995
   47    HB2  CYS  12           HB2      CYS  12   6.478   3.528  -2.129
   48    HB3  CYS  12           HB1      CYS  12   5.029   4.010  -3.009
   49    H    PHE  13           HN       PHE  13   4.513   6.543  -3.909
   50    HA   PHE  13           HA       PHE  13   4.276   8.812  -2.377
   51    HB2  PHE  13           HB2      PHE  13   3.108   8.265  -4.544
   52    HB3  PHE  13           HB1      PHE  13   1.970   7.298  -3.613
   53    HD1  PHE  13           HD1      PHE  13   3.141  10.674  -4.355
   54    HD2  PHE  13           HD2      PHE  13   0.310   8.316  -2.252
   55    HE1  PHE  13           HE1      PHE  13   1.788  12.690  -3.936
   56    HE2  PHE  13           HE2      PHE  13  -1.056  10.315  -1.821
   57    HZ   PHE  13           HZ       PHE  13  -0.316  12.510  -2.664
   58    H    CYS  14           HN       CYS  14   3.144   9.387  -0.546
   59    HA   CYS  14           HA       CYS  14   1.867   7.260   0.953
   60    HB2  CYS  14           HB2      CYS  14   4.133   7.154   1.767
   61    HB3  CYS  14           HB1      CYS  14   4.162   8.901   2.026
   62    H    HIS  15           HN       HIS  15  -0.041   7.963   1.472
   63    HA   HIS  15           HA       HIS  15  -0.690  10.716   1.060
   64    HB2  HIS  15           HB2      HIS  15  -2.097   8.685   0.436
   65    HB3  HIS  15           HB1      HIS  15  -2.547   8.603   2.135
   66    HD1  HIS  15           HD1      HIS  15  -4.760   9.637   2.502
   67    HD2  HIS  15           HD2      HIS  15  -2.592  11.574  -0.475
   68    HE1  HIS  15           HE1      HIS  15  -6.248  11.495   1.686
   69    HE2  HIS  15           HE2      HIS  15  -4.979  12.574  -0.207
   70    H    LEU  16           HN       LEU  16   0.079   8.839   3.845
   71    HA   LEU  16           HA       LEU  16  -1.165  10.866   5.566
   72    HB2  LEU  16           HB2      LEU  16  -0.872   9.242   7.424
   73    HB3  LEU  16           HB1      LEU  16  -1.967   8.719   6.162
   74    HG   LEU  16           HG       LEU  16   0.895   7.800   6.200
   75   HD11  LEU  16          HD11      LEU  16  -1.442   6.488   7.589
   76   HD12  LEU  16          HD12      LEU  16  -0.091   7.286   8.394
   77   HD13  LEU  16          HD13      LEU  16   0.188   5.831   7.438
   78   HD21  LEU  16          HD21      LEU  16  -0.451   7.467   4.171
   79   HD22  LEU  16          HD22      LEU  16  -1.645   6.585   5.122
   80   HD23  LEU  16          HD23      LEU  16  -0.013   5.938   4.937
   81    H    CYS  17           HN       CYS  17   1.853   9.879   4.400
   82    HA   CYS  17           HA       CYS  17   3.440  10.687   6.616
   83    HB2  CYS  17           HB2      CYS  17   4.112  10.521   3.668
   84    HB3  CYS  17           HB1      CYS  17   5.286  10.737   4.962
   85    H    THR  18           HN       THR  18   2.050  12.249   3.820
   86    HA   THR  18           HA       THR  18   1.555  14.388   3.322
   87    HB   THR  18           HB       THR  18   1.829  15.061   6.241
   88    HG1  THR  18           HG1      THR  18   0.583  13.318   6.468
   89   HG21  THR  18          HG21      THR  18  -0.114  15.902   4.087
   90   HG22  THR  18          HG22      THR  18   1.216  16.875   4.717
   91   HG23  THR  18          HG23      THR  18  -0.139  16.449   5.763
   92    H    LYS  19           HN       LYS  19   3.518  15.409   6.105
   93    HA   LYS  19           HA       LYS  19   4.970  17.159   4.329
   94    HB2  LYS  19           HB2      LYS  19   4.665  16.926   7.266
   95    HB3  LYS  19           HB1      LYS  19   6.168  17.631   6.682
   96    HG2  LYS  19           HG2      LYS  19   3.410  18.592   5.944
   97    HG3  LYS  19           HG1      LYS  19   4.455  19.327   7.163
   98    HD2  LYS  19           HD2      LYS  19   6.087  19.910   5.516
   99    HD3  LYS  19           HD1      LYS  19   5.256  18.977   4.275
  100    HE2  LYS  19           HE2      LYS  19   4.805  21.309   3.938
  101    HE3  LYS  19           HE1      LYS  19   3.329  20.507   4.468
  102    HZ1  LYS  19           HZ1      LYS  19   3.702  22.647   5.577
  103    HZ2  LYS  19           HZ2      LYS  19   5.144  22.053   6.243
  104    HZ3  LYS  19           HZ3      LYS  19   3.660  21.362   6.677
  105    H    ASP  20           HN       ASP  20   5.398  14.012   5.277
  106    HA   ASP  20           HA       ASP  20   8.262  13.952   5.090
  107    HB2  ASP  20           HB2      ASP  20   6.100  11.874   4.857
  108    HB3  ASP  20           HB1      ASP  20   7.745  11.487   4.393
  109    H    ASN  21           HN       ASN  21   8.336  15.480   3.268
  110    HA   ASN  21           HA       ASN  21   8.090  16.171   1.097
  111    HB2  ASN  21           HB2      ASN  21   9.721  15.149  -0.325
  112    HB3  ASN  21           HB1      ASN  21  10.336  15.174   1.315
  113   HD21  ASN  21          HD21      ASN  21  11.092  13.576  -1.000
  114   HD22  ASN  21          HD22      ASN  21  10.932  11.922  -0.520
  115    H    PHE  22           HN       PHE  22   5.742  14.853   1.759
  116    HA   PHE  22           HA       PHE  22   3.870  13.919   0.931
  117    HB2  PHE  22           HB2      PHE  22   5.096  14.931  -1.633
  118    HB3  PHE  22           HB1      PHE  22   3.452  14.307  -1.518
  119    HD1  PHE  22           HD2      PHE  22   1.814  15.471  -0.012
  120    HD2  PHE  22           HD1      PHE  22   5.612  17.130  -0.979
  121    HE1  PHE  22           HE2      PHE  22   1.026  17.685   0.712
  122    HE2  PHE  22           HE1      PHE  22   4.830  19.349  -0.251
  123    HZ   PHE  22           HZ       PHE  22   2.534  19.630   0.592
  124    H    THR  23           HN       THR  23   6.195  12.146   1.206
  125    HA   THR  23           HA       THR  23   5.022   9.826   0.064
  126    HB   THR  23           HB       THR  23   6.109  10.624  -1.964
  127    HG1  THR  23           HG1      THR  23   6.160   8.306  -1.339
  128   HG21  THR  23          HG21      THR  23   8.667  10.529  -0.369
  129   HG22  THR  23          HG22      THR  23   7.890  11.972  -1.027
  130   HG23  THR  23          HG23      THR  23   8.569  10.758  -2.115
  131    H    CYS  24           HN       CYS  24   7.280   8.137   0.200
  132    HA   CYS  24           HA       CYS  24   8.715   8.636   2.616
  133    HB2  CYS  24           HB2      CYS  24   6.634   8.082   3.651
  134    HB3  CYS  24           HB1      CYS  24   6.441   6.659   2.639
  135    H    VAL  25           HN       VAL  25  10.425   7.283   2.894
  136    HA   VAL  25           HA       VAL  25  10.925   5.418   0.695
  137    HB   VAL  25           HB       VAL  25  12.634   7.092   0.935
  138   HG11  VAL  25          HG11      VAL  25  12.963   6.135   3.773
  139   HG12  VAL  25          HG12      VAL  25  12.333   7.699   3.255
  140   HG13  VAL  25          HG13      VAL  25  14.019   7.283   2.950
  141   HG21  VAL  25          HG21      VAL  25  14.621   5.667   1.233
  142   HG22  VAL  25          HG22      VAL  25  13.385   4.909   0.230
  143   HG23  VAL  25          HG23      VAL  25  13.590   4.403   1.907
  144    H    THR  26           HN       THR  26  10.558   3.384   1.006
  145    HA   THR  26           HA       THR  26  10.617   2.264   3.728
  146    HB   THR  26           HB       THR  26   8.462   1.969   2.828
  147    HG1  THR  26           HG1      THR  26   8.341  -0.301   2.664
  148   HG21  THR  26          HG21      THR  26   8.004   1.041   0.636
  149   HG22  THR  26          HG22      THR  26   9.731   0.854   0.335
  150   HG23  THR  26          HG23      THR  26   9.034   2.467   0.482
  151    H    ASP  27           HN       ASP  27  11.391   0.091   3.993
  152    HA   ASP  27           HA       ASP  27  13.583  -0.601   2.178
  153    HB2  ASP  27           HB2      ASP  27  14.076  -0.420   4.601
  154    HB3  ASP  27           HB1      ASP  27  12.913  -1.704   4.920
  155    H    GLY  28           HN       GLY  28  10.341  -1.443   2.746
  156    HA2  GLY  28           HA2      GLY  28  10.779  -4.264   2.046
  157    HA3  GLY  28           HA1      GLY  28   9.286  -3.579   2.677
  158    H    LEU  29           HN       LEU  29   8.158  -2.018   1.233
  159    HA   LEU  29           HA       LEU  29   8.686  -1.939  -1.500
  160    HB2  LEU  29           HB2      LEU  29   6.681  -3.249  -2.309
  161    HB3  LEU  29           HB1      LEU  29   8.067  -4.180  -1.789
  162    HG   LEU  29           HG       LEU  29   6.017  -3.776   0.292
  163   HD11  LEU  29          HD11      LEU  29   5.464  -5.485  -2.130
  164   HD12  LEU  29          HD12      LEU  29   4.598  -4.012  -1.691
  165   HD13  LEU  29          HD13      LEU  29   4.504  -5.432  -0.650
  166   HD21  LEU  29          HD21      LEU  29   7.470  -6.183  -0.797
  167   HD22  LEU  29          HD22      LEU  29   6.489  -6.137   0.668
  168   HD23  LEU  29          HD23      LEU  29   7.984  -5.204   0.576
  169    H    CYS  30           HN       CYS  30   6.373  -1.462  -2.663
  170    HA   CYS  30           HA       CYS  30   5.407   0.884  -1.212
  171    HB2  CYS  30           HB2      CYS  30   4.884   0.035  -4.065
  172    HB3  CYS  30           HB1      CYS  30   4.625   1.632  -3.363
  173    H    PHE  31           HN       PHE  31   3.148   1.285  -0.930
  174    HA   PHE  31           HA       PHE  31   1.293  -0.875  -1.420
  175    HB2  PHE  31           HB2      PHE  31   2.144  -1.803   0.552
  176    HB3  PHE  31           HB1      PHE  31   2.348  -0.232   1.317
  177    HD1  PHE  31           HD1      PHE  31  -0.380  -2.361  -0.073
  178    HD2  PHE  31           HD2      PHE  31   0.867   0.326   2.976
  179    HE1  PHE  31           HE1      PHE  31  -2.540  -2.657   1.063
  180    HE2  PHE  31           HE2      PHE  31  -1.290   0.036   4.118
  181    HZ   PHE  31           HZ       PHE  31  -3.000  -1.420   3.167
  182    H    VAL  32           HN       VAL  32  -0.351   0.252  -2.242
  183    HA   VAL  32           HA       VAL  32  -1.304   2.612  -0.754
  184    HB   VAL  32           HB       VAL  32  -2.399   1.598  -3.373
  185   HG11  VAL  32          HG11      VAL  32  -2.618   4.263  -1.992
  186   HG12  VAL  32          HG12      VAL  32  -3.888   3.049  -2.146
  187   HG13  VAL  32          HG13      VAL  32  -3.282   3.878  -3.581
  188   HG21  VAL  32          HG21      VAL  32  -0.260   3.671  -2.978
  189   HG22  VAL  32          HG22      VAL  32  -1.131   3.388  -4.489
  190   HG23  VAL  32          HG23      VAL  32  -0.104   2.123  -3.806
  191    H    SER  33           HN       SER  33  -3.247   2.506   0.346
  192    HA   SER  33           HA       SER  33  -4.855   0.084  -0.100
  193    HB2  SER  33           HB2      SER  33  -5.657   0.308   2.241
  194    HB3  SER  33           HB1      SER  33  -3.924   0.006   2.147
  195    HG   SER  33           HG       SER  33  -3.923   2.509   2.200
  196    H    VAL  34           HN       VAL  34  -6.367   0.742  -1.456
  197    HA   VAL  34           HA       VAL  34  -7.833   3.201  -0.810
  198    HB   VAL  34           HB       VAL  34  -8.016   1.533  -3.331
  199   HG11  VAL  34          HG11      VAL  34 -10.032   2.809  -2.885
  200   HG12  VAL  34          HG12      VAL  34  -9.160   3.509  -4.249
  201   HG13  VAL  34          HG13      VAL  34  -9.081   4.277  -2.663
  202   HG21  VAL  34          HG21      VAL  34  -6.726   3.339  -4.395
  203   HG22  VAL  34          HG22      VAL  34  -5.803   2.504  -3.147
  204   HG23  VAL  34          HG23      VAL  34  -6.499   4.090  -2.816
  205    H    THR  35           HN       THR  35  -9.397   2.779   0.590
  206    HA   THR  35           HA       THR  35 -10.841   0.224   0.409
  207    HB   THR  35           HB       THR  35 -10.667   2.169   2.732
  208    HG1  THR  35           HG1      THR  35  -9.486  -0.379   2.792
  209   HG21  THR  35          HG21      THR  35 -11.615   0.330   4.047
  210   HG22  THR  35          HG22      THR  35 -11.739  -0.650   2.585
  211   HG23  THR  35          HG23      THR  35 -12.704   0.817   2.749
  212    H    GLU  36           HN       GLU  36 -12.457   0.672  -1.028
  213    HA   GLU  36           HA       GLU  36 -13.926   3.188  -0.723
  214    HB2  GLU  36           HB2      GLU  36 -14.096   1.112  -2.913
  215    HB3  GLU  36           HB1      GLU  36 -14.891   2.683  -2.907
  216    HG2  GLU  36           HG2      GLU  36 -12.733   3.796  -2.969
  217    HG3  GLU  36           HG1      GLU  36 -11.910   2.238  -2.888
  218    H    THR  37           HN       THR  37 -15.283   2.917   0.922
  219    HA   THR  37           HA       THR  37 -17.064   0.597   0.826
  220    HB   THR  37           HB       THR  37 -17.627   1.226   3.187
  221    HG1  THR  37           HG1      THR  37 -15.975   2.653   4.175
  222   HG21  THR  37          HG21      THR  37 -15.548   0.385   4.163
  223   HG22  THR  37          HG22      THR  37 -14.704   0.700   2.646
  224   HG23  THR  37          HG23      THR  37 -15.976  -0.519   2.707
  225    H    THR  38           HN       THR  38 -19.230   1.513   2.169
  226    HA   THR  38           HA       THR  38 -20.376   3.356   0.275
  227    HB   THR  38           HB       THR  38 -21.726   2.343   2.745
  228    HG1  THR  38           HG1      THR  38 -21.011   0.975   0.393
  229   HG21  THR  38          HG21      THR  38 -22.935   4.023   1.453
  230   HG22  THR  38          HG22      THR  38 -23.733   2.454   1.319
  231   HG23  THR  38          HG23      THR  38 -22.736   3.054  -0.006
  232    H    ASP  39           HN       ASP  39 -18.598   3.566   3.044
  233    HA   ASP  39           HA       ASP  39 -19.660   5.960   4.197
  234    HB2  ASP  39           HB2      ASP  39 -16.946   4.632   4.356
  235    HB3  ASP  39           HB1      ASP  39 -17.361   6.088   5.253
  236    H    LYS  40           HN       LYS  40 -16.749   5.260   2.313
  237    HA   LYS  40           HA       LYS  40 -17.037   7.368   0.492
  238    HB2  LYS  40           HB2      LYS  40 -15.265   8.885   1.209
  239    HB3  LYS  40           HB1      LYS  40 -16.519   8.807   2.433
  240    HG2  LYS  40           HG2      LYS  40 -14.108   7.071   2.688
  241    HG3  LYS  40           HG1      LYS  40 -14.017   8.779   3.120
  242    HD2  LYS  40           HD2      LYS  40 -15.873   8.481   4.687
  243    HD3  LYS  40           HD1      LYS  40 -15.973   6.776   4.245
  244    HE2  LYS  40           HE2      LYS  40 -14.770   7.026   6.329
  245    HE3  LYS  40           HE1      LYS  40 -13.685   6.443   5.070
  246    HZ1  LYS  40           HZ1      LYS  40 -12.658   8.163   6.417
  247    HZ2  LYS  40           HZ2      LYS  40 -13.888   9.257   6.006
  248    HZ3  LYS  40           HZ3      LYS  40 -12.826   8.685   4.814
  249    H    VAL  41           HN       VAL  41 -14.777   7.773  -0.598
  250    HA   VAL  41           HA       VAL  41 -13.502   5.173  -0.940
  251    HB   VAL  41           HB       VAL  41 -13.138   7.777  -2.438
  252   HG11  VAL  41          HG11      VAL  41 -11.803   6.446  -4.041
  253   HG12  VAL  41          HG12      VAL  41 -11.881   5.076  -2.935
  254   HG13  VAL  41          HG13      VAL  41 -11.043   6.550  -2.453
  255   HG21  VAL  41          HG21      VAL  41 -15.270   6.700  -2.870
  256   HG22  VAL  41          HG22      VAL  41 -14.449   5.177  -3.214
  257   HG23  VAL  41          HG23      VAL  41 -14.221   6.563  -4.281
  258    H    ILE  42           HN       ILE  42 -11.924   4.704   0.450
  259    HA   ILE  42           HA       ILE  42 -10.495   6.926   1.715
  260    HB   ILE  42           HB       ILE  42 -10.554   4.036   2.595
  261   HG12  ILE  42          HG12      ILE  42 -12.231   6.326   3.647
  262   HG13  ILE  42          HG11      ILE  42 -12.829   5.089   2.548
  263   HG21  ILE  42          HG21      ILE  42  -9.824   4.964   4.748
  264   HG22  ILE  42          HG22      ILE  42  -9.787   6.576   4.032
  265   HG23  ILE  42          HG23      ILE  42  -8.682   5.329   3.454
  266   HD11  ILE  42          HD11      ILE  42 -12.377   3.382   4.233
  267   HD12  ILE  42          HD12      ILE  42 -13.483   4.622   4.827
  268   HD13  ILE  42          HD13      ILE  42 -11.792   4.631   5.333
  269    H    HIS  43           HN       HIS  43  -8.870   7.355   0.268
  270    HA   HIS  43           HA       HIS  43  -7.190   5.089  -0.540
  271    HB2  HIS  43           HB2      HIS  43  -6.293   6.639  -2.303
  272    HB3  HIS  43           HB1      HIS  43  -7.990   6.222  -2.480
  273    HD1  HIS  43           HD1      HIS  43  -5.708   9.080  -2.254
  274    HD2  HIS  43           HD2      HIS  43  -9.779   8.386  -1.724
  275    HE1  HIS  43           HE1      HIS  43  -6.805  11.343  -2.346
  276    HE2  HIS  43           HE2      HIS  43  -9.242  10.912  -1.850
  277    H    ASN  44           HN       ASN  44  -5.510   4.795   0.746
  278    HA   ASN  44           HA       ASN  44  -3.848   7.107   1.368
  279    HB2  ASN  44           HB2      ASN  44  -4.907   5.186   3.439
  280    HB3  ASN  44           HB1      ASN  44  -3.469   6.166   3.704
  281   HD21  ASN  44          HD21      ASN  44  -6.877   6.089   3.659
  282   HD22  ASN  44          HD22      ASN  44  -7.153   7.749   4.072
  283    H    SER  45           HN       SER  45  -2.016   6.687   0.511
  284    HA   SER  45           HA       SER  45  -1.001   3.988   0.203
  285    HB2  SER  45           HB2      SER  45   0.859   5.545  -0.930
  286    HB3  SER  45           HB1      SER  45  -0.647   5.143  -1.756
  287    HG   SER  45           HG       SER  45  -0.938   7.221  -1.829
  288    H    MET  46           HN       MET  46   0.666   3.119   1.333
  289    HA   MET  46           HA       MET  46   2.113   4.935   3.144
  290    HB2  MET  46           HB2      MET  46   1.481   2.036   3.689
  291    HB3  MET  46           HB1      MET  46   2.219   3.183   4.790
  292    HG2  MET  46           HG2      MET  46   0.137   4.434   4.909
  293    HG3  MET  46           HG1      MET  46  -0.610   3.306   3.777
  294    HE1  MET  46           HE1      MET  46  -2.429   2.391   7.091
  295    HE2  MET  46           HE2      MET  46  -2.617   2.792   5.384
  296    HE3  MET  46           HE3      MET  46  -1.970   3.989   6.504
  297    H    CYS  47           HN       CYS  47   4.286   4.508   3.381
  298    HA   CYS  47           HA       CYS  47   5.578   2.833   1.418
  299    HB2  CYS  47           HB2      CYS  47   7.662   3.490   2.619
  300    HB3  CYS  47           HB1      CYS  47   6.713   4.883   2.119
  301    H    ILE  48           HN       ILE  48   5.052   0.702   1.789
  302    HA   ILE  48           HA       ILE  48   4.802  -0.135   4.529
  303    HB   ILE  48           HB       ILE  48   3.347  -0.951   2.524
  304   HG12  ILE  48          HG12      ILE  48   4.127  -2.029   5.024
  305   HG13  ILE  48          HG11      ILE  48   2.563  -2.126   4.222
  306   HG21  ILE  48          HG21      ILE  48   4.154  -3.174   1.649
  307   HG22  ILE  48          HG22      ILE  48   5.756  -2.742   2.265
  308   HG23  ILE  48          HG23      ILE  48   4.992  -1.756   1.016
  309   HD11  ILE  48          HD11      ILE  48   4.857  -4.054   3.885
  310   HD12  ILE  48          HD12      ILE  48   3.307  -4.145   3.048
  311   HD13  ILE  48          HD13      ILE  48   3.376  -4.335   4.801
  312    H    ALA  49           HN       ALA  49   6.547  -0.443   5.653
  313    HA   ALA  49           HA       ALA  49   9.077  -0.924   4.496
  314    HB1  ALA  49           HB1      ALA  49   8.213  -1.056   7.386
  315    HB2  ALA  49           HB2      ALA  49   8.835   0.365   6.548
  316    HB3  ALA  49           HB3      ALA  49   9.881  -1.030   6.816
  317    H    GLU  50           HN       GLU  50  10.507  -2.687   5.269
  318    HA   GLU  50           HA       GLU  50   9.500  -5.178   4.459
  319    HB2  GLU  50           HB2      GLU  50  11.965  -4.132   4.817
  320    HB3  GLU  50           HB1      GLU  50  11.856  -5.138   6.253
  321    HG2  GLU  50           HG2      GLU  50  11.433  -6.110   3.439
  322    HG3  GLU  50           HG1      GLU  50  12.940  -6.256   4.343
  323    H    ILE  51           HN       ILE  51  10.062  -3.740   7.617
  324    HA   ILE  51           HA       ILE  51   9.318  -5.964   9.195
  325    HB   ILE  51           HB       ILE  51   9.051  -4.397  11.036
  326   HG12  ILE  51          HG12      ILE  51   9.691  -2.051   9.317
  327   HG13  ILE  51          HG11      ILE  51   8.033  -2.645   9.288
  328   HG21  ILE  51          HG21      ILE  51  11.398  -3.680   9.280
  329   HG22  ILE  51          HG22      ILE  51  11.315  -5.043  10.396
  330   HG23  ILE  51          HG23      ILE  51  11.283  -3.393  11.016
  331   HD11  ILE  51          HD11      ILE  51   7.871  -2.355  11.685
  332   HD12  ILE  51          HD12      ILE  51   8.344  -0.846  10.898
  333   HD13  ILE  51          HD13      ILE  51   9.551  -1.813  11.747
  334    H    ASP  52           HN       ASP  52   7.486  -3.867   7.246
  335    HA   ASP  52           HA       ASP  52   5.041  -4.160   8.794
  336    HB2  ASP  52           HB2      ASP  52   5.851  -2.521   6.429
  337    HB3  ASP  52           HB1      ASP  52   4.146  -2.856   6.683
  338    H    LEU  53           HN       LEU  53   6.680  -5.906   6.444
  339    HA   LEU  53           HA       LEU  53   4.394  -6.980   5.093
  340    HB2  LEU  53           HB2      LEU  53   7.274  -7.750   5.243
  341    HB3  LEU  53           HB1      LEU  53   6.108  -8.893   4.618
  342    HG   LEU  53           HG       LEU  53   5.467  -7.239   2.882
  343   HD11  LEU  53          HD11      LEU  53   7.786  -5.681   3.988
  344   HD12  LEU  53          HD12      LEU  53   6.096  -5.189   3.986
  345   HD13  LEU  53          HD13      LEU  53   6.969  -5.347   2.463
  346   HD21  LEU  53          HD21      LEU  53   7.476  -7.539   1.530
  347   HD22  LEU  53          HD22      LEU  53   7.066  -9.012   2.409
  348   HD23  LEU  53          HD23      LEU  53   8.385  -7.984   2.972
  349    H    ILE  54           HN       ILE  54   2.887  -7.831   6.443
  350    HA   ILE  54           HA       ILE  54   3.823  -9.831   8.395
  351    HB   ILE  54           HB       ILE  54   1.497  -7.948   8.825
  352   HG12  ILE  54          HG12      ILE  54   3.604  -6.629   8.640
  353   HG13  ILE  54          HG11      ILE  54   2.935  -6.591  10.273
  354   HG21  ILE  54          HG21      ILE  54   1.452 -10.017  10.095
  355   HG22  ILE  54          HG22      ILE  54   1.730  -8.638  11.158
  356   HG23  ILE  54          HG23      ILE  54   3.071  -9.692  10.710
  357   HD11  ILE  54          HD11      ILE  54   4.545  -8.285  10.985
  358   HD12  ILE  54          HD12      ILE  54   5.340  -6.852  10.332
  359   HD13  ILE  54          HD13      ILE  54   5.224  -8.316   9.356
  360    HA   PRO  55           HA       PRO  55   3.989 -11.769   8.271
  361    HB2  PRO  55           HB2      PRO  55   3.688 -13.971   6.401
  362    HB3  PRO  55           HB1      PRO  55   3.697 -14.012   8.165
  363    HG2  PRO  55           HG2      PRO  55   1.485 -14.526   6.668
  364    HG3  PRO  55           HG1      PRO  55   1.419 -13.856   8.307
  365    HD2  PRO  55           HD2      PRO  55   1.164 -12.453   5.673
  366    HD3  PRO  55           HD1      PRO  55   0.243 -12.213   7.174
  367    H    ARG  56           HN       ARG  56   6.007 -12.508   7.097
  368    HA   ARG  56           HA       ARG  56   6.732 -10.412   5.411
  369    HB2  ARG  56           HB2      ARG  56   8.203 -11.815   6.942
  370    HB3  ARG  56           HB1      ARG  56   8.285 -12.969   5.617
  371    HG2  ARG  56           HG2      ARG  56   9.238 -11.271   4.170
  372    HG3  ARG  56           HG1      ARG  56   9.118 -10.083   5.468
  373    HD2  ARG  56           HD2      ARG  56  10.577 -11.606   6.837
  374    HD3  ARG  56           HD1      ARG  56  10.850 -12.536   5.365
  375    HE   ARG  56           HE       ARG  56  11.432  -9.660   5.360
  376   HH11  ARG  56          HH11      ARG  56  12.550 -12.970   5.152
  377   HH12  ARG  56          HH12      ARG  56  14.182 -12.526   4.737
  378   HH21  ARG  56          HH21      ARG  56  13.553  -9.073   4.802
  379   HH22  ARG  56          HH22      ARG  56  14.752 -10.303   4.517
  380    H    ASP  57           HN       ASP  57   5.378 -13.474   4.565
  381    HA   ASP  57           HA       ASP  57   6.459 -13.549   1.896
  382    HB2  ASP  57           HB2      ASP  57   4.211 -15.094   3.195
  383    HB3  ASP  57           HB1      ASP  57   4.772 -15.371   1.552
  384    H    ARG  58           HN       ARG  58   3.674 -12.335   3.503
  385    HA   ARG  58           HA       ARG  58   2.713 -10.960   1.168
  386    HB2  ARG  58           HB2      ARG  58   1.858 -13.320   0.904
  387    HB3  ARG  58           HB1      ARG  58   0.964 -13.094   2.405
  388    HG2  ARG  58           HG2      ARG  58  -0.256 -11.242   1.381
  389    HG3  ARG  58           HG1      ARG  58   0.604 -11.528  -0.132
  390    HD2  ARG  58           HD2      ARG  58  -1.189 -13.505   1.280
  391    HD3  ARG  58           HD1      ARG  58  -1.622 -12.562  -0.145
  392    HE   ARG  58           HE       ARG  58   0.441 -13.807  -1.137
  393   HH11  ARG  58          HH11      ARG  58  -1.984 -15.121   1.039
  394   HH12  ARG  58          HH12      ARG  58  -1.797 -16.748   0.455
  395   HH21  ARG  58          HH21      ARG  58   0.659 -15.958  -1.918
  396   HH22  ARG  58          HH22      ARG  58  -0.308 -17.223  -1.216
  397    HA   PRO  59           HA       PRO  59   1.938  -8.683   5.106
  398    HB2  PRO  59           HB2      PRO  59   1.290  -6.495   3.406
  399    HB3  PRO  59           HB1      PRO  59   2.665  -6.657   4.490
  400    HG2  PRO  59           HG2      PRO  59   2.502  -6.973   1.607
  401    HG3  PRO  59           HG1      PRO  59   3.946  -6.788   2.619
  402    HD2  PRO  59           HD2      PRO  59   3.228  -9.105   1.332
  403    HD3  PRO  59           HD1      PRO  59   4.243  -9.048   2.786
  404    H    PHE  60           HN       PHE  60   0.023  -8.832   6.000
  405    HA   PHE  60           HA       PHE  60  -2.296  -9.391   4.550
  406    HB2  PHE  60           HB2      PHE  60  -3.462  -9.173   6.699
  407    HB3  PHE  60           HB1      PHE  60  -2.028 -10.169   6.814
  408    HD1  PHE  60           HD1      PHE  60  -2.091  -6.479   6.780
  409    HD2  PHE  60           HD2      PHE  60  -1.648  -9.987   9.162
  410    HE1  PHE  60           HE1      PHE  60  -1.306  -5.097   8.657
  411    HE2  PHE  60           HE2      PHE  60  -0.864  -8.597  11.046
  412    HZ   PHE  60           HZ       PHE  60  -0.735  -6.214  10.853
  413    H    VAL  61           HN       VAL  61  -0.807  -6.396   5.165
  414    HA   VAL  61           HA       VAL  61  -3.016  -4.694   5.144
  415    HB   VAL  61           HB       VAL  61  -1.385  -3.042   4.132
  416   HG11  VAL  61          HG11      VAL  61  -0.068  -2.824   6.166
  417   HG12  VAL  61          HG12      VAL  61  -0.504  -4.469   6.626
  418   HG13  VAL  61          HG13      VAL  61  -1.746  -3.220   6.541
  419   HG21  VAL  61          HG21      VAL  61   0.923  -3.597   3.982
  420   HG22  VAL  61          HG22      VAL  61  -0.002  -4.715   2.976
  421   HG23  VAL  61          HG23      VAL  61   0.599  -5.231   4.556
  422    H    CYS  62           HN       CYS  62  -1.408  -6.551   2.711
  423    HA   CYS  62           HA       CYS  62  -3.013  -5.316   0.632
  424    HB2  CYS  62           HB2      CYS  62  -0.565  -7.044   0.586
  425    HB3  CYS  62           HB1      CYS  62  -1.608  -6.979  -0.827
  426    H    ALA  63           HN       ALA  63  -3.391  -7.742   2.813
  427    HA   ALA  63           HA       ALA  63  -5.329  -9.060   1.063
  428    HB1  ALA  63           HB1      ALA  63  -3.351 -10.628   2.705
  429    HB2  ALA  63           HB2      ALA  63  -3.292 -10.421   0.953
  430    HB3  ALA  63           HB3      ALA  63  -4.641 -11.283   1.693
  431    HA   PRO  64           HA       PRO  64  -7.316  -8.687   5.171
  432    HB2  PRO  64           HB2      PRO  64  -9.336  -7.029   4.042
  433    HB3  PRO  64           HB1      PRO  64  -8.083  -6.553   5.189
  434    HG2  PRO  64           HG2      PRO  64  -8.271  -5.665   2.563
  435    HG3  PRO  64           HG1      PRO  64  -6.809  -5.598   3.563
  436    HD2  PRO  64           HD2      PRO  64  -7.587  -7.582   1.464
  437    HD3  PRO  64           HD1      PRO  64  -5.988  -6.898   1.837
  438    H    SER  65           HN       SER  65  -9.772  -9.157   5.531
  439    HA   SER  65           HA       SER  65 -10.489 -11.357   3.822
  440    HB2  SER  65           HB2      SER  65 -12.497 -11.509   5.341
  441    HB3  SER  65           HB1      SER  65 -10.943 -11.605   6.167
  442    HG   SER  65           HG       SER  65 -12.826  -9.519   6.120
  443    H    SER  66           HN       SER  66 -10.717 -10.291   1.837
  444    HA   SER  66           HA       SER  66 -12.862  -8.326   1.606
  445    HB2  SER  66           HB2      SER  66 -10.704  -9.170  -0.342
  446    HB3  SER  66           HB1      SER  66 -11.889  -7.890  -0.630
  447    HG   SER  66           HG       SER  66 -10.196  -7.881   1.634
  448    H    LYS  67           HN       LYS  67 -14.734  -9.477   1.582
  449    HA   LYS  67           HA       LYS  67 -15.064 -11.346  -0.674
  450    HB2  LYS  67           HB2      LYS  67 -15.250 -12.290   1.713
  451    HB3  LYS  67           HB1      LYS  67 -16.746 -11.373   1.829
  452    HG2  LYS  67           HG2      LYS  67 -17.219 -13.664   1.242
  453    HG3  LYS  67           HG1      LYS  67 -17.632 -12.601  -0.106
  454    HD2  LYS  67           HD2      LYS  67 -15.562 -13.173  -1.232
  455    HD3  LYS  67           HD1      LYS  67 -15.059 -14.157   0.144
  456    HE2  LYS  67           HE2      LYS  67 -15.906 -15.563  -1.639
  457    HE3  LYS  67           HE1      LYS  67 -16.965 -15.647  -0.234
  458    HZ1  LYS  67           HZ1      LYS  67 -17.457 -13.950  -2.624
  459    HZ2  LYS  67           HZ2      LYS  67 -18.498 -14.151  -1.302
  460    HZ3  LYS  67           HZ3      LYS  67 -18.184 -15.455  -2.338
  461    H    THR  68           HN       THR  68 -16.512  -8.809   1.302
  462    HA   THR  68           HA       THR  68 -17.856  -7.759  -1.038
  463    HB   THR  68           HB       THR  68 -19.488  -8.509   1.404
  464    HG1  THR  68           HG1      THR  68 -18.860  -9.928  -0.755
  465   HG21  THR  68          HG21      THR  68 -20.220  -6.395   0.414
  466   HG22  THR  68          HG22      THR  68 -21.401  -7.671   0.121
  467   HG23  THR  68          HG23      THR  68 -20.313  -7.164  -1.172
  468    H    GLY  69           HN       GLY  69 -17.110  -7.525   2.389
  469    HA2  GLY  69           HA2      GLY  69 -17.769  -4.712   2.516
  470    HA3  GLY  69           HA1      GLY  69 -17.067  -5.685   3.803
  471    H    SER  70           HN       SER  70 -16.175  -3.167   3.370
  472    HA   SER  70           HA       SER  70 -14.210  -2.045   3.399
  473    HB2  SER  70           HB2      SER  70 -12.954  -4.695   2.660
  474    HB3  SER  70           HB1      SER  70 -12.065  -3.244   3.122
  475    HG   SER  70           HG       SER  70 -13.408  -3.350   5.116
  476    H    VAL  71           HN       VAL  71 -14.563  -4.168   0.586
  477    HA   VAL  71           HA       VAL  71 -13.554  -4.076  -1.488
  478    HB   VAL  71           HB       VAL  71 -14.705  -1.294  -1.479
  479   HG11  VAL  71          HG11      VAL  71 -13.460  -1.856  -3.475
  480   HG12  VAL  71          HG12      VAL  71 -15.184  -1.802  -3.845
  481   HG13  VAL  71          HG13      VAL  71 -14.371  -3.355  -3.655
  482   HG21  VAL  71          HG21      VAL  71 -16.168  -3.902  -1.851
  483   HG22  VAL  71          HG22      VAL  71 -16.846  -2.300  -2.139
  484   HG23  VAL  71          HG23      VAL  71 -16.363  -2.772  -0.510
  485    H    THR  72           HN       THR  72 -11.485  -3.952  -0.189
  486    HA   THR  72           HA       THR  72 -10.091  -1.413  -0.465
  487    HB   THR  72           HB       THR  72  -9.147  -4.018   0.754
  488    HG1  THR  72           HG1      THR  72 -10.957  -2.284   1.620
  489   HG21  THR  72          HG21      THR  72  -8.075  -1.202   1.020
  490   HG22  THR  72          HG22      THR  72  -7.315  -2.509   0.110
  491   HG23  THR  72          HG23      THR  72  -7.463  -2.625   1.864
  492    H    THR  73           HN       THR  73  -8.095  -1.295  -1.601
  493    HA   THR  73           HA       THR  73  -7.619  -3.379  -3.560
  494    HB   THR  73           HB       THR  73  -7.503  -1.654  -5.396
  495    HG1  THR  73           HG1      THR  73  -8.947  -0.063  -3.514
  496   HG21  THR  73          HG21      THR  73  -9.406  -3.156  -5.266
  497   HG22  THR  73          HG22      THR  73  -9.959  -1.551  -5.747
  498   HG23  THR  73          HG23      THR  73 -10.193  -2.105  -4.086
  499    H    THR  74           HN       THR  74  -5.689  -3.850  -2.807
  500    HA   THR  74           HA       THR  74  -3.944  -1.726  -1.832
  501    HB   THR  74           HB       THR  74  -2.680  -3.574  -0.809
  502    HG1  THR  74           HG1      THR  74  -3.531  -5.079  -2.582
  503   HG21  THR  74          HG21      THR  74  -4.536  -2.524   0.398
  504   HG22  THR  74          HG22      THR  74  -4.424  -4.238   0.791
  505   HG23  THR  74          HG23      THR  74  -5.663  -3.670  -0.327
  506    H    TYR  75           HN       TYR  75  -2.209  -1.067  -2.889
  507    HA   TYR  75           HA       TYR  75  -1.411  -2.593  -5.273
  508    HB2  TYR  75           HB2      TYR  75  -0.784   0.320  -4.793
  509    HB3  TYR  75           HB1      TYR  75  -0.759  -0.564  -6.316
  510    HD1  TYR  75           HD2      TYR  75  -3.435  -1.949  -6.048
  511    HD2  TYR  75           HD1      TYR  75  -2.258   2.066  -5.332
  512    HE1  TYR  75           HE2      TYR  75  -5.737  -1.208  -6.463
  513    HE2  TYR  75           HE1      TYR  75  -4.549   2.824  -5.741
  514    HH   TYR  75           HH       TYR  75  -7.178   0.769  -5.749
  515    H    CYS  76           HN       CYS  76   0.069  -3.925  -4.379
  516    HA   CYS  76           HA       CYS  76   2.302  -2.719  -2.907
  517    HB2  CYS  76           HB2      CYS  76   2.384  -5.576  -2.848
  518    HB3  CYS  76           HB1      CYS  76   2.080  -4.466  -1.514
  519    H    CYS  77           HN       CYS  77   4.125  -2.438  -3.981
  520    HA   CYS  77           HA       CYS  77   5.010  -4.331  -5.996
  521    HB2  CYS  77           HB2      CYS  77   5.330  -2.395  -7.648
  522    HB3  CYS  77           HB1      CYS  77   3.686  -2.988  -7.430
  523    H    ASN  78           HN       ASN  78   7.228  -3.755  -6.783
  524    HA   ASN  78           HA       ASN  78   8.683  -2.335  -4.654
  525    HB2  ASN  78           HB2      ASN  78   9.382  -4.783  -6.244
  526    HB3  ASN  78           HB1      ASN  78  10.648  -3.801  -5.514
  527   HD21  ASN  78          HD21      ASN  78  10.823  -3.707  -3.281
  528   HD22  ASN  78          HD22      ASN  78  10.033  -4.835  -2.241
  529    H    GLN  79           HN       GLN  79   7.566  -1.308  -7.264
  530    HA   GLN  79           HA       GLN  79  10.023  -0.554  -8.651
  531    HB2  GLN  79           HB2      GLN  79   7.170   0.215  -9.298
  532    HB3  GLN  79           HB1      GLN  79   8.583   0.530 -10.296
  533    HG2  GLN  79           HG2      GLN  79   8.903  -1.985 -10.372
  534    HG3  GLN  79           HG1      GLN  79   7.278  -2.100  -9.696
  535   HE21  GLN  79          HE21      GLN  79   5.497  -1.439 -10.955
  536   HE22  GLN  79          HE22      GLN  79   5.642  -1.239 -12.667
  537    H    ASP  80           HN       ASP  80  10.630   1.641  -8.955
  538    HA   ASP  80           HA       ASP  80  10.422   3.272  -6.663
  539    HB2  ASP  80           HB2      ASP  80  11.287   4.061  -9.457
  540    HB3  ASP  80           HB1      ASP  80  11.637   4.945  -7.977
  541    H    HIS  81           HN       HIS  81   8.615   4.278  -6.046
  542    HA   HIS  81           HA       HIS  81   6.874   5.738  -6.040
  543    HB2  HIS  81           HB2      HIS  81   7.887   6.499  -8.790
  544    HB3  HIS  81           HB1      HIS  81   6.617   7.351  -7.924
  545    HD1  HIS  81           HD1      HIS  81   7.317   9.064  -6.209
  546    HD2  HIS  81           HD2      HIS  81  10.504   6.821  -7.667
  547    HE1  HIS  81           HE1      HIS  81   9.395  10.222  -5.390
  548    HE2  HIS  81           HE2      HIS  81  11.301   8.984  -6.487
  549    H    CYS  82           HN       CYS  82   6.494   3.017  -6.884
  550    HA   CYS  82           HA       CYS  82   4.718   3.103  -9.177
  551    HB2  CYS  82           HB2      CYS  82   4.571   0.675  -8.909
  552    HB3  CYS  82           HB1      CYS  82   6.246   1.214  -8.921
  553    H    ASN  83           HN       ASN  83   4.149   4.123  -6.192
  554    HA   ASN  83           HA       ASN  83   1.732   2.629  -5.634
  555    HB2  ASN  83           HB2      ASN  83   3.250   4.782  -4.251
  556    HB3  ASN  83           HB1      ASN  83   1.527   4.656  -3.908
  557   HD21  ASN  83          HD21      ASN  83   1.671   1.724  -4.472
  558   HD22  ASN  83          HD22      ASN  83   2.326   1.037  -3.032
  559    H    LYS  84           HN       LYS  84   1.872   3.926  -8.158
  560    HA   LYS  84           HA       LYS  84   0.048   6.114  -8.145
  561    HB2  LYS  84           HB2      LYS  84   1.520   5.816 -10.047
  562    HB3  LYS  84           HB1      LYS  84   0.871   4.211 -10.347
  563    HG2  LYS  84           HG2      LYS  84  -1.292   5.177 -10.918
  564    HG3  LYS  84           HG1      LYS  84  -0.665   6.793 -10.585
  565    HD2  LYS  84           HD2      LYS  84   0.881   6.638 -12.403
  566    HD3  LYS  84           HD1      LYS  84   0.502   4.932 -12.650
  567    HE2  LYS  84           HE2      LYS  84  -0.591   6.344 -14.324
  568    HE3  LYS  84           HE1      LYS  84  -1.769   5.517 -13.307
  569    HZ1  LYS  84           HZ1      LYS  84  -2.055   7.547 -12.037
  570    HZ2  LYS  84           HZ2      LYS  84  -2.366   7.827 -13.678
  571    HZ3  LYS  84           HZ3      LYS  84  -0.902   8.346 -12.994
  572    H    ILE  85           HN       ILE  85  -0.561   2.965  -9.730
  573    HA   ILE  85           HA       ILE  85  -2.956   2.552  -8.191
  574    HB   ILE  85           HB       ILE  85  -3.396   4.407  -9.944
  575   HG12  ILE  85          HG12      ILE  85  -5.721   3.487 -10.325
  576   HG13  ILE  85          HG11      ILE  85  -5.174   2.008  -9.537
  577   HG21  ILE  85          HG21      ILE  85  -4.172   3.589 -12.127
  578   HG22  ILE  85          HG22      ILE  85  -3.570   1.982 -11.723
  579   HG23  ILE  85          HG23      ILE  85  -2.444   3.330 -11.880
  580   HD11  ILE  85          HD11      ILE  85  -4.587   3.352  -7.535
  581   HD12  ILE  85          HD12      ILE  85  -6.309   3.370  -7.932
  582   HD13  ILE  85          HD13      ILE  85  -5.301   4.760  -8.331
  583    H    GLU  86           HN       GLU  86  -0.503   1.057  -9.189
  584    HA   GLU  86           HA       GLU  86  -1.657  -0.868 -11.045
  585    HB2  GLU  86           HB2      GLU  86   0.659  -1.807 -11.130
  586    HB3  GLU  86           HB1      GLU  86   0.527  -0.134 -11.648
  587    HG2  GLU  86           HG2      GLU  86   1.338   0.580  -9.429
  588    HG3  GLU  86           HG1      GLU  86   1.552  -1.116  -8.994
  589    H    LEU  87           HN       LEU  87  -2.221  -2.890 -10.592
  590    HA   LEU  87           HA       LEU  87  -2.209  -3.699  -7.783
  591    HB2  LEU  87           HB2      LEU  87  -3.769  -4.522 -10.198
  592    HB3  LEU  87           HB1      LEU  87  -3.635  -5.635  -8.855
  593    HG   LEU  87           HG       LEU  87  -5.712  -4.438  -8.708
  594   HD11  LEU  87          HD11      LEU  87  -3.734  -3.504  -6.640
  595   HD12  LEU  87          HD12      LEU  87  -4.668  -4.999  -6.612
  596   HD13  LEU  87          HD13      LEU  87  -5.486  -3.444  -6.470
  597   HD21  LEU  87          HD21      LEU  87  -5.098  -2.459  -9.997
  598   HD22  LEU  87          HD22      LEU  87  -4.075  -1.908  -8.670
  599   HD23  LEU  87          HD23      LEU  87  -5.821  -2.021  -8.449
  600    HA   PRO  88           HA       PRO  88   0.685  -7.022  -8.712
  601    HB2  PRO  88           HB2      PRO  88   0.825  -8.081  -6.278
  602    HB3  PRO  88           HB1      PRO  88   1.474  -6.464  -6.582
  603    HG2  PRO  88           HG2      PRO  88  -1.094  -7.264  -5.284
  604    HG3  PRO  88           HG1      PRO  88   0.018  -5.953  -4.855
  605    HD2  PRO  88           HD2      PRO  88  -2.323  -5.681  -6.352
  606    HD3  PRO  88           HD1      PRO  88  -0.999  -4.501  -6.277
  607    H    THR  89           HN       THR  89  -2.376  -7.193  -8.935
  608    HA   THR  89           HA       THR  89  -4.004  -8.725  -9.275
  609    HB   THR  89           HB       THR  89  -1.879 -10.869  -9.091
  610    HG1  THR  89           HG1      THR  89  -1.116 -10.136 -10.931
  611   HG21  THR  89          HG21      THR  89  -4.470 -10.702 -10.650
  612   HG22  THR  89          HG22      THR  89  -4.229 -11.637  -9.175
  613   HG23  THR  89          HG23      THR  89  -3.349 -12.064 -10.643
  614    H    THR  90           HN       THR  90  -4.082  -7.799  -6.904
  615    HA   THR  90           HA       THR  90  -5.001  -9.974  -5.252
  616    HB   THR  90           HB       THR  90  -2.877  -8.098  -4.163
  617    HG1  THR  90           HG1      THR  90  -2.622 -10.381  -5.561
  618   HG21  THR  90          HG21      THR  90  -2.925  -9.592  -2.203
  619   HG22  THR  90          HG22      THR  90  -4.254 -10.489  -2.936
  620   HG23  THR  90          HG23      THR  90  -4.480  -8.804  -2.470
  621    H    VAL  91           HN       VAL  91  -6.599  -9.259  -3.797
  622    HA   VAL  91           HA       VAL  91  -7.753  -6.703  -4.452
  623    HB   VAL  91           HB       VAL  91  -8.649  -8.611  -2.286
  624   HG11  VAL  91          HG11      VAL  91 -10.831  -7.549  -2.583
  625   HG12  VAL  91          HG12      VAL  91 -10.147  -6.473  -3.799
  626   HG13  VAL  91          HG13      VAL  91  -9.606  -6.366  -2.124
  627   HG21  VAL  91          HG21      VAL  91  -9.473  -8.515  -5.187
  628   HG22  VAL  91          HG22      VAL  91 -10.208  -9.527  -3.944
  629   HG23  VAL  91          HG23      VAL  91  -8.529  -9.789  -4.415
  630    HN1  NH2  92           HN1      NH2  92  -7.072  -8.053  -1.204
  Start of MODEL    9
    1    H1   GLY   5           HN       GLY   5  14.981   4.185  -6.407
    2    HA2  GLY   5           HA2      GLY   5  17.154   3.076  -6.229
    3    HA3  GLY   5           HA1      GLY   5  16.738   2.679  -4.567
    4    H    SER   6           HN       SER   6  14.000   1.993  -5.218
    5    HA   SER   6           HA       SER   6  12.694   0.253  -5.850
    6    HB2  SER   6           HB2      SER   6  14.861  -0.336  -7.883
    7    HB3  SER   6           HB1      SER   6  13.242  -1.033  -7.870
    8    HG   SER   6           HG       SER   6  14.082   1.550  -8.547
    9    H    ALA   7           HN       ALA   7  12.651  -2.188  -5.960
   10    HA   ALA   7           HA       ALA   7  13.151  -4.256  -5.208
   11    HB1  ALA   7           HB1      ALA   7  15.269  -3.971  -6.417
   12    HB2  ALA   7           HB2      ALA   7  15.452  -4.962  -4.969
   13    HB3  ALA   7           HB3      ALA   7  15.993  -3.284  -4.963
   14    H    THR   8           HN       THR   8  15.541  -2.515  -3.236
   15    HA   THR   8           HA       THR   8  14.275  -3.693  -0.864
   16    HB   THR   8           HB       THR   8  17.008  -2.413  -1.047
   17    HG1  THR   8           HG1      THR   8  16.076  -4.936  -1.814
   18   HG21  THR   8          HG21      THR   8  16.090  -2.636   1.218
   19   HG22  THR   8          HG22      THR   8  17.460  -3.718   0.975
   20   HG23  THR   8          HG23      THR   8  15.816  -4.355   0.940
   21    H    ALA   9           HN       ALA   9  15.522  -0.619  -2.127
   22    HA   ALA   9           HA       ALA   9  14.196   0.761   0.107
   23    HB1  ALA   9           HB1      ALA   9  16.563   1.305  -0.122
   24    HB2  ALA   9           HB2      ALA   9  15.552   2.715  -0.455
   25    HB3  ALA   9           HB3      ALA   9  16.289   1.821  -1.787
   26    H    LEU  10           HN       LEU  10  12.153   1.086  -0.475
   27    HA   LEU  10           HA       LEU  10  11.603   2.183  -3.151
   28    HB2  LEU  10           HB2      LEU  10   9.765   0.868  -1.151
   29    HB3  LEU  10           HB1      LEU  10   9.221   1.601  -2.640
   30    HG   LEU  10           HG       LEU  10   9.269  -0.680  -3.099
   31   HD11  LEU  10          HD11      LEU  10  11.921   0.370  -4.046
   32   HD12  LEU  10          HD12      LEU  10  10.360   0.652  -4.818
   33   HD13  LEU  10          HD13      LEU  10  11.025  -0.981  -4.736
   34   HD21  LEU  10          HD21      LEU  10  10.430  -1.465  -1.135
   35   HD22  LEU  10          HD22      LEU  10  11.954  -0.812  -1.736
   36   HD23  LEU  10          HD23      LEU  10  11.176  -2.153  -2.577
   37    H    GLN  11           HN       GLN  11  10.925   4.254  -3.346
   38    HA   GLN  11           HA       GLN  11  10.012   5.588  -0.882
   39    HB2  GLN  11           HB2      GLN  11  12.106   6.466  -2.011
   40    HB3  GLN  11           HB1      GLN  11  11.085   6.938  -3.357
   41    HG2  GLN  11           HG2      GLN  11   9.826   8.418  -1.895
   42    HG3  GLN  11           HG1      GLN  11  10.818   7.919  -0.523
   43   HE21  GLN  11          HE21      GLN  11  10.650   9.827  -3.386
   44   HE22  GLN  11          HE22      GLN  11  12.154  10.661  -3.190
   45    H    CYS  12           HN       CYS  12   7.864   5.318  -0.912
   46    HA   CYS  12           HA       CYS  12   6.447   5.645  -3.483
   47    HB2  CYS  12           HB2      CYS  12   5.300   4.229  -1.091
   48    HB3  CYS  12           HB1      CYS  12   4.900   4.010  -2.799
   49    H    PHE  13           HN       PHE  13   4.687   7.023  -3.607
   50    HA   PHE  13           HA       PHE  13   4.619   9.279  -2.020
   51    HB2  PHE  13           HB2      PHE  13   3.573   9.440  -4.116
   52    HB3  PHE  13           HB1      PHE  13   2.573   8.024  -3.829
   53    HD1  PHE  13           HD1      PHE  13   3.156  11.406  -2.399
   54    HD2  PHE  13           HD2      PHE  13   0.343   8.374  -3.392
   55    HE1  PHE  13           HE1      PHE  13   1.319  12.884  -1.691
   56    HE2  PHE  13           HE2      PHE  13  -1.499   9.843  -2.684
   57    HZ   PHE  13           HZ       PHE  13  -1.057  12.051  -1.838
   58    H    CYS  14           HN       CYS  14   3.558   9.918  -0.216
   59    HA   CYS  14           HA       CYS  14   2.136   7.810   1.240
   60    HB2  CYS  14           HB2      CYS  14   4.289   7.699   2.141
   61    HB3  CYS  14           HB1      CYS  14   4.493   9.447   2.109
   62    H    HIS  15           HN       HIS  15   0.363   8.414   2.325
   63    HA   HIS  15           HA       HIS  15  -0.723  10.968   1.629
   64    HB2  HIS  15           HB2      HIS  15  -2.000   8.789   1.729
   65    HB3  HIS  15           HB1      HIS  15  -1.948   8.924   3.484
   66    HD1  HIS  15           HD1      HIS  15  -4.239   9.597   4.207
   67    HD2  HIS  15           HD2      HIS  15  -2.983  11.655   0.809
   68    HE1  HIS  15           HE1      HIS  15  -6.080  11.229   3.677
   69    HE2  HIS  15           HE2      HIS  15  -5.374  12.344   1.522
   70    H    LEU  16           HN       LEU  16   0.154   9.457   4.750
   71    HA   LEU  16           HA       LEU  16  -0.715  11.761   6.235
   72    HB2  LEU  16           HB2      LEU  16   0.063   9.066   6.801
   73    HB3  LEU  16           HB1      LEU  16   0.998  10.148   7.812
   74    HG   LEU  16           HG       LEU  16  -1.039   9.368   8.932
   75   HD11  LEU  16          HD11      LEU  16  -0.143  11.514   9.577
   76   HD12  LEU  16          HD12      LEU  16  -1.906  11.576   9.607
   77   HD13  LEU  16          HD13      LEU  16  -1.020  12.305   8.269
   78   HD21  LEU  16          HD21      LEU  16  -3.231  10.109   8.170
   79   HD22  LEU  16          HD22      LEU  16  -2.449   9.090   6.962
   80   HD23  LEU  16          HD23      LEU  16  -2.496  10.839   6.743
   81    H    CYS  17           HN       CYS  17   2.073  10.991   4.523
   82    HA   CYS  17           HA       CYS  17   4.000  12.233   6.217
   83    HB2  CYS  17           HB2      CYS  17   4.052  11.421   3.318
   84    HB3  CYS  17           HB1      CYS  17   5.444  12.012   4.218
   85    H    THR  18           HN       THR  18   2.442  13.109   3.172
   86    HA   THR  18           HA       THR  18   2.301  15.022   1.994
   87    HB   THR  18           HB       THR  18   1.729  17.057   3.376
   88    HG1  THR  18           HG1      THR  18   2.332  15.266   5.404
   89   HG21  THR  18          HG21      THR  18   0.089  14.560   3.740
   90   HG22  THR  18          HG22      THR  18   0.049  15.630   2.340
   91   HG23  THR  18          HG23      THR  18  -0.504  16.212   3.909
   92    H    LYS  19           HN       LYS  19   3.795  16.671   4.741
   93    HA   LYS  19           HA       LYS  19   5.576  18.043   2.983
   94    HB2  LYS  19           HB2      LYS  19   6.454  19.043   5.143
   95    HB3  LYS  19           HB1      LYS  19   4.767  19.337   4.762
   96    HG2  LYS  19           HG2      LYS  19   4.448  18.771   6.906
   97    HG3  LYS  19           HG1      LYS  19   4.542  17.121   6.292
   98    HD2  LYS  19           HD2      LYS  19   7.106  18.424   6.987
   99    HD3  LYS  19           HD1      LYS  19   6.037  18.023   8.333
  100    HE2  LYS  19           HE2      LYS  19   6.908  16.073   6.204
  101    HE3  LYS  19           HE1      LYS  19   7.699  16.250   7.768
  102    HZ1  LYS  19           HZ1      LYS  19   5.712  15.557   8.871
  103    HZ2  LYS  19           HZ2      LYS  19   6.074  14.412   7.670
  104    HZ3  LYS  19           HZ3      LYS  19   4.834  15.540   7.421
  105    H    ASP  20           HN       ASP  20   5.749  15.020   4.204
  106    HA   ASP  20           HA       ASP  20   8.602  14.820   4.520
  107    HB2  ASP  20           HB2      ASP  20   6.359  12.845   4.175
  108    HB3  ASP  20           HB1      ASP  20   8.022  12.306   4.034
  109    H    ASN  21           HN       ASN  21   8.419  16.314   2.403
  110    HA   ASN  21           HA       ASN  21   8.484  16.639   0.169
  111    HB2  ASN  21           HB2      ASN  21  10.313  15.472  -0.979
  112    HB3  ASN  21           HB1      ASN  21  10.788  16.050   0.608
  113   HD21  ASN  21          HD21      ASN  21  10.229  13.285  -1.386
  114   HD22  ASN  21          HD22      ASN  21  10.926  12.120  -0.316
  115    H    PHE  22           HN       PHE  22   6.293  15.069   0.945
  116    HA   PHE  22           HA       PHE  22   4.474  14.224  -0.092
  117    HB2  PHE  22           HB2      PHE  22   6.162  14.438  -2.588
  118    HB3  PHE  22           HB1      PHE  22   4.450  14.034  -2.573
  119    HD1  PHE  22           HD2      PHE  22   2.829  15.735  -1.625
  120    HD2  PHE  22           HD1      PHE  22   6.874  16.658  -2.565
  121    HE1  PHE  22           HE2      PHE  22   2.270  18.131  -1.680
  122    HE2  PHE  22           HE1      PHE  22   6.322  19.050  -2.620
  123    HZ   PHE  22           HZ       PHE  22   4.008  19.791  -2.191
  124    H    THR  23           HN       THR  23   6.701  12.432   0.928
  125    HA   THR  23           HA       THR  23   5.597   9.954   0.145
  126    HB   THR  23           HB       THR  23   6.648  10.411  -2.004
  127    HG1  THR  23           HG1      THR  23   6.707   8.224  -1.110
  128   HG21  THR  23          HG21      THR  23   9.053  10.629  -2.259
  129   HG22  THR  23          HG22      THR  23   9.267  10.508  -0.511
  130   HG23  THR  23          HG23      THR  23   8.436  11.903  -1.206
  131    H    CYS  24           HN       CYS  24   7.475   8.140   0.597
  132    HA   CYS  24           HA       CYS  24   9.371   8.906   2.576
  133    HB2  CYS  24           HB2      CYS  24   8.430   7.344   4.333
  134    HB3  CYS  24           HB1      CYS  24   7.563   8.859   4.105
  135    H    VAL  25           HN       VAL  25  10.704   7.228   3.199
  136    HA   VAL  25           HA       VAL  25  10.990   5.239   1.065
  137    HB   VAL  25           HB       VAL  25  12.933   6.664   1.586
  138   HG11  VAL  25          HG11      VAL  25  12.602   6.886   3.985
  139   HG12  VAL  25          HG12      VAL  25  14.227   6.310   3.613
  140   HG13  VAL  25          HG13      VAL  25  13.006   5.183   4.203
  141   HG21  VAL  25          HG21      VAL  25  14.615   4.897   1.614
  142   HG22  VAL  25          HG22      VAL  25  13.277   4.509   0.530
  143   HG23  VAL  25          HG23      VAL  25  13.385   3.735   2.112
  144    H    THR  26           HN       THR  26  11.029   3.080   1.327
  145    HA   THR  26           HA       THR  26  10.563   1.974   4.009
  146    HB   THR  26           HB       THR  26   8.376   1.977   3.220
  147    HG1  THR  26           HG1      THR  26   7.973  -0.244   2.738
  148   HG21  THR  26          HG21      THR  26   8.816   2.674   0.909
  149   HG22  THR  26          HG22      THR  26   7.692   1.315   0.967
  150   HG23  THR  26          HG23      THR  26   9.377   1.046   0.534
  151    H    ASP  27           HN       ASP  27  11.022  -0.288   4.191
  152    HA   ASP  27           HA       ASP  27  13.016  -1.238   2.254
  153    HB2  ASP  27           HB2      ASP  27  12.553  -1.803   5.169
  154    HB3  ASP  27           HB1      ASP  27  13.457  -2.938   4.175
  155    H    GLY  28           HN       GLY  28   9.838  -1.493   2.454
  156    HA2  GLY  28           HA2      GLY  28   9.805  -4.433   2.177
  157    HA3  GLY  28           HA1      GLY  28   8.431  -3.471   2.704
  158    H    LEU  29           HN       LEU  29   7.392  -2.090   1.176
  159    HA   LEU  29           HA       LEU  29   8.120  -2.056  -1.548
  160    HB2  LEU  29           HB2      LEU  29   6.022  -3.230  -2.385
  161    HB3  LEU  29           HB1      LEU  29   7.321  -4.245  -1.800
  162    HG   LEU  29           HG       LEU  29   5.884  -4.151   0.441
  163   HD11  LEU  29          HD11      LEU  29   4.197  -2.650  -0.375
  164   HD12  LEU  29          HD12      LEU  29   3.486  -4.246  -0.135
  165   HD13  LEU  29          HD13      LEU  29   3.887  -3.692  -1.764
  166   HD21  LEU  29          HD21      LEU  29   6.539  -6.160  -0.780
  167   HD22  LEU  29          HD22      LEU  29   5.237  -5.890  -1.937
  168   HD23  LEU  29          HD23      LEU  29   4.858  -6.251  -0.253
  169    H    CYS  30           HN       CYS  30   6.050  -1.236  -2.865
  170    HA   CYS  30           HA       CYS  30   5.091   1.099  -1.422
  171    HB2  CYS  30           HB2      CYS  30   4.757   0.167  -4.279
  172    HB3  CYS  30           HB1      CYS  30   4.034   1.642  -3.645
  173    H    PHE  31           HN       PHE  31   3.071   1.345  -0.640
  174    HA   PHE  31           HA       PHE  31   1.072  -0.690  -1.273
  175    HB2  PHE  31           HB2      PHE  31   1.883  -1.661   0.660
  176    HB3  PHE  31           HB1      PHE  31   2.305  -0.117   1.376
  177    HD1  PHE  31           HD1      PHE  31  -0.634  -2.160   0.391
  178    HD2  PHE  31           HD2      PHE  31   0.941   0.784   3.022
  179    HE1  PHE  31           HE1      PHE  31  -2.704  -2.247   1.715
  180    HE2  PHE  31           HE2      PHE  31  -1.128   0.704   4.349
  181    HZ   PHE  31           HZ       PHE  31  -2.951  -0.748   3.706
  182    H    VAL  32           HN       VAL  32  -0.527   0.421  -2.059
  183    HA   VAL  32           HA       VAL  32  -1.426   2.830  -0.622
  184    HB   VAL  32           HB       VAL  32  -2.268   1.934  -3.381
  185   HG11  VAL  32          HG11      VAL  32  -2.560   4.569  -1.946
  186   HG12  VAL  32          HG12      VAL  32  -3.845   3.422  -2.321
  187   HG13  VAL  32          HG13      VAL  32  -3.013   4.269  -3.624
  188   HG21  VAL  32          HG21      VAL  32  -0.760   3.735  -4.223
  189   HG22  VAL  32          HG22      VAL  32   0.067   2.337  -3.534
  190   HG23  VAL  32          HG23      VAL  32  -0.065   3.827  -2.604
  191    H    SER  33           HN       SER  33  -3.461   2.779   0.324
  192    HA   SER  33           HA       SER  33  -4.942   0.262  -0.045
  193    HB2  SER  33           HB2      SER  33  -5.834   0.663   2.271
  194    HB3  SER  33           HB1      SER  33  -4.105   0.335   2.206
  195    HG   SER  33           HG       SER  33  -4.188   2.886   2.041
  196    H    VAL  34           HN       VAL  34  -6.520   0.673  -1.424
  197    HA   VAL  34           HA       VAL  34  -8.138   3.091  -1.027
  198    HB   VAL  34           HB       VAL  34  -8.177   1.117  -3.325
  199   HG11  VAL  34          HG11      VAL  34  -9.560   3.777  -3.007
  200   HG12  VAL  34          HG12      VAL  34 -10.331   2.192  -3.011
  201   HG13  VAL  34          HG13      VAL  34  -9.547   2.795  -4.471
  202   HG21  VAL  34          HG21      VAL  34  -6.962   3.871  -3.142
  203   HG22  VAL  34          HG22      VAL  34  -7.115   2.926  -4.621
  204   HG23  VAL  34          HG23      VAL  34  -6.094   2.346  -3.306
  205    H    THR  35           HN       THR  35  -9.562   2.631   0.570
  206    HA   THR  35           HA       THR  35 -10.928   0.026   0.531
  207    HB   THR  35           HB       THR  35 -10.575   1.954   2.843
  208    HG1  THR  35           HG1      THR  35  -9.421  -0.599   2.828
  209   HG21  THR  35          HG21      THR  35 -11.658  -0.865   2.805
  210   HG22  THR  35          HG22      THR  35 -12.623   0.600   2.990
  211   HG23  THR  35          HG23      THR  35 -11.452   0.153   4.230
  212    H    GLU  36           HN       GLU  36 -12.618   0.535  -0.846
  213    HA   GLU  36           HA       GLU  36 -14.225   2.900  -0.171
  214    HB2  GLU  36           HB2      GLU  36 -14.412   1.102  -2.604
  215    HB3  GLU  36           HB1      GLU  36 -15.301   2.599  -2.347
  216    HG2  GLU  36           HG2      GLU  36 -13.171   3.830  -2.329
  217    HG3  GLU  36           HG1      GLU  36 -12.318   2.324  -2.654
  218    H    THR  37           HN       THR  37 -15.461   2.407   1.443
  219    HA   THR  37           HA       THR  37 -16.877  -0.135   1.461
  220    HB   THR  37           HB       THR  37 -17.640   0.708   3.745
  221    HG1  THR  37           HG1      THR  37 -15.960   2.403   4.456
  222   HG21  THR  37          HG21      THR  37 -14.668   0.427   3.279
  223   HG22  THR  37          HG22      THR  37 -15.807  -0.899   3.512
  224   HG23  THR  37          HG23      THR  37 -15.489   0.233   4.827
  225    H    THR  38           HN       THR  38 -19.250   0.231   2.453
  226    HA   THR  38           HA       THR  38 -20.724   1.899   0.660
  227    HB   THR  38           HB       THR  38 -22.626   1.410   2.257
  228    HG1  THR  38           HG1      THR  38 -21.920  -0.508   3.677
  229   HG21  THR  38          HG21      THR  38 -22.274   0.027   0.293
  230   HG22  THR  38          HG22      THR  38 -22.756  -0.987   1.652
  231   HG23  THR  38          HG23      THR  38 -21.067  -0.928   1.151
  232    H    ASP  39           HN       ASP  39 -18.987   2.361   3.467
  233    HA   ASP  39           HA       ASP  39 -20.438   4.514   4.655
  234    HB2  ASP  39           HB2      ASP  39 -18.872   2.925   5.832
  235    HB3  ASP  39           HB1      ASP  39 -17.544   3.736   4.998
  236    H    LYS  40           HN       LYS  40 -17.293   4.283   3.046
  237    HA   LYS  40           HA       LYS  40 -17.561   7.023   2.069
  238    HB2  LYS  40           HB2      LYS  40 -15.127   6.184   3.635
  239    HB3  LYS  40           HB1      LYS  40 -15.545   7.799   3.080
  240    HG2  LYS  40           HG2      LYS  40 -17.366   7.911   4.657
  241    HG3  LYS  40           HG1      LYS  40 -17.061   6.251   5.169
  242    HD2  LYS  40           HD2      LYS  40 -14.662   7.173   5.669
  243    HD3  LYS  40           HD1      LYS  40 -15.495   8.730   5.715
  244    HE2  LYS  40           HE2      LYS  40 -16.070   6.293   7.388
  245    HE3  LYS  40           HE1      LYS  40 -15.404   7.828   7.940
  246    HZ1  LYS  40           HZ1      LYS  40 -17.714   7.713   8.508
  247    HZ2  LYS  40           HZ2      LYS  40 -18.150   7.340   6.911
  248    HZ3  LYS  40           HZ3      LYS  40 -17.529   8.876   7.284
  249    H    VAL  41           HN       VAL  41 -14.692   7.118   1.648
  250    HA   VAL  41           HA       VAL  41 -14.101   5.024  -0.236
  251    HB   VAL  41           HB       VAL  41 -14.241   7.926  -1.123
  252   HG11  VAL  41          HG11      VAL  41 -13.202   5.517  -2.616
  253   HG12  VAL  41          HG12      VAL  41 -12.222   6.830  -1.963
  254   HG13  VAL  41          HG13      VAL  41 -13.365   7.149  -3.269
  255   HG21  VAL  41          HG21      VAL  41 -15.708   5.488  -2.126
  256   HG22  VAL  41          HG22      VAL  41 -15.779   7.094  -2.855
  257   HG23  VAL  41          HG23      VAL  41 -16.409   6.834  -1.226
  258    H    ILE  42           HN       ILE  42 -12.323   4.486   0.963
  259    HA   ILE  42           HA       ILE  42 -10.824   6.698   2.183
  260    HB   ILE  42           HB       ILE  42 -10.942   3.806   3.057
  261   HG12  ILE  42          HG12      ILE  42 -12.370   6.177   4.280
  262   HG13  ILE  42          HG11      ILE  42 -13.139   5.054   3.164
  263   HG21  ILE  42          HG21      ILE  42  -9.999   4.667   5.153
  264   HG22  ILE  42          HG22      ILE  42  -9.905   6.278   4.440
  265   HG23  ILE  42          HG23      ILE  42  -8.931   4.963   3.781
  266   HD11  ILE  42          HD11      ILE  42 -12.016   4.396   5.876
  267   HD12  ILE  42          HD12      ILE  42 -12.703   3.226   4.749
  268   HD13  ILE  42          HD13      ILE  42 -13.720   4.497   5.426
  269    H    HIS  43           HN       HIS  43  -9.263   7.130   0.690
  270    HA   HIS  43           HA       HIS  43  -7.607   4.849  -0.157
  271    HB2  HIS  43           HB2      HIS  43  -7.128   6.146  -2.253
  272    HB3  HIS  43           HB1      HIS  43  -8.782   5.577  -2.103
  273    HD1  HIS  43           HD1      HIS  43  -6.857   8.510  -2.894
  274    HD2  HIS  43           HD2      HIS  43 -10.591   7.770  -1.211
  275    HE1  HIS  43           HE1      HIS  43  -8.153  10.654  -3.137
  276    HE2  HIS  43           HE2      HIS  43 -10.450  10.135  -2.243
  277    H    ASN  44           HN       ASN  44  -5.635   4.898   0.596
  278    HA   ASN  44           HA       ASN  44  -4.137   7.342   0.690
  279    HB2  ASN  44           HB2      ASN  44  -3.566   7.191   3.101
  280    HB3  ASN  44           HB1      ASN  44  -5.263   7.564   2.827
  281   HD21  ASN  44          HD21      ASN  44  -6.813   6.144   3.444
  282   HD22  ASN  44          HD22      ASN  44  -6.488   4.713   4.368
  283    H    SER  45           HN       SER  45  -2.014   6.989   0.502
  284    HA   SER  45           HA       SER  45  -1.108   4.199   0.439
  285    HB2  SER  45           HB2      SER  45   0.721   5.174  -1.012
  286    HB3  SER  45           HB1      SER  45  -0.905   5.256  -1.697
  287    HG   SER  45           HG       SER  45   0.799   7.263  -1.020
  288    H    MET  46           HN       MET  46   0.529   3.497   1.655
  289    HA   MET  46           HA       MET  46   2.132   5.533   3.045
  290    HB2  MET  46           HB2      MET  46   1.229   2.909   4.244
  291    HB3  MET  46           HB1      MET  46   2.205   4.133   5.033
  292    HG2  MET  46           HG2      MET  46  -0.661   4.461   4.178
  293    HG3  MET  46           HG1      MET  46  -0.103   4.144   5.817
  294    HE1  MET  46           HE1      MET  46  -1.331   7.825   6.086
  295    HE2  MET  46           HE2      MET  46  -1.438   6.192   6.740
  296    HE3  MET  46           HE3      MET  46  -2.051   6.534   5.120
  297    H    CYS  47           HN       CYS  47   4.270   4.830   3.504
  298    HA   CYS  47           HA       CYS  47   5.312   2.887   1.648
  299    HB2  CYS  47           HB2      CYS  47   7.486   3.396   2.965
  300    HB3  CYS  47           HB1      CYS  47   6.806   4.663   1.947
  301    H    ILE  48           HN       ILE  48   4.872   0.846   2.101
  302    HA   ILE  48           HA       ILE  48   4.622   0.025   4.865
  303    HB   ILE  48           HB       ILE  48   3.039  -0.568   2.844
  304   HG12  ILE  48          HG12      ILE  48   3.358  -1.514   5.368
  305   HG13  ILE  48          HG11      ILE  48   2.036  -1.936   4.286
  306   HG21  ILE  48          HG21      ILE  48   4.614  -1.559   1.365
  307   HG22  ILE  48          HG22      ILE  48   3.511  -2.819   1.923
  308   HG23  ILE  48          HG23      ILE  48   5.138  -2.702   2.600
  309   HD11  ILE  48          HD11      ILE  48   3.009  -3.901   5.352
  310   HD12  ILE  48          HD12      ILE  48   4.578  -3.509   4.646
  311   HD13  ILE  48          HD13      ILE  48   3.224  -3.941   3.602
  312    H    ALA  49           HN       ALA  49   6.355  -0.643   5.912
  313    HA   ALA  49           HA       ALA  49   8.765  -1.204   4.419
  314    HB1  ALA  49           HB1      ALA  49   8.313  -1.013   7.396
  315    HB2  ALA  49           HB2      ALA  49   8.906   0.272   6.345
  316    HB3  ALA  49           HB3      ALA  49   9.881  -1.175   6.607
  317    H    GLU  50           HN       GLU  50  10.212  -2.975   5.390
  318    HA   GLU  50           HA       GLU  50   9.024  -5.441   4.748
  319    HB2  GLU  50           HB2      GLU  50  11.408  -4.966   4.468
  320    HB3  GLU  50           HB1      GLU  50  11.598  -4.844   6.210
  321    HG2  GLU  50           HG2      GLU  50  11.041  -7.191   6.454
  322    HG3  GLU  50           HG1      GLU  50  10.797  -7.325   4.712
  323    H    ILE  51           HN       ILE  51   9.809  -3.914   7.825
  324    HA   ILE  51           HA       ILE  51   9.022  -6.041   9.513
  325    HB   ILE  51           HB       ILE  51   8.980  -4.406  11.301
  326   HG12  ILE  51          HG12      ILE  51   9.663  -1.971  10.165
  327   HG13  ILE  51          HG11      ILE  51   8.405  -2.575   9.102
  328   HG21  ILE  51          HG21      ILE  51  11.163  -5.129  10.423
  329   HG22  ILE  51          HG22      ILE  51  11.218  -3.495  11.084
  330   HG23  ILE  51          HG23      ILE  51  11.163  -3.737   9.339
  331   HD11  ILE  51          HD11      ILE  51   6.891  -2.800  10.982
  332   HD12  ILE  51          HD12      ILE  51   7.512  -1.152  10.879
  333   HD13  ILE  51          HD13      ILE  51   8.159  -2.266  12.085
  334    H    ASP  52           HN       ASP  52   7.315  -3.601   7.786
  335    HA   ASP  52           HA       ASP  52   4.808  -4.004   9.162
  336    HB2  ASP  52           HB2      ASP  52   5.566  -2.384   6.730
  337    HB3  ASP  52           HB1      ASP  52   3.929  -2.474   7.359
  338    H    LEU  53           HN       LEU  53   6.485  -5.602   6.705
  339    HA   LEU  53           HA       LEU  53   4.193  -6.494   5.200
  340    HB2  LEU  53           HB2      LEU  53   7.101  -7.048   5.173
  341    HB3  LEU  53           HB1      LEU  53   6.075  -8.380   4.696
  342    HG   LEU  53           HG       LEU  53   5.079  -6.953   2.935
  343   HD11  LEU  53          HD11      LEU  53   5.471  -4.770   3.917
  344   HD12  LEU  53          HD12      LEU  53   6.195  -4.872   2.312
  345   HD13  LEU  53          HD13      LEU  53   7.212  -4.989   3.749
  346   HD21  LEU  53          HD21      LEU  53   7.019  -7.002   1.451
  347   HD22  LEU  53          HD22      LEU  53   6.906  -8.471   2.420
  348   HD23  LEU  53          HD23      LEU  53   8.079  -7.224   2.843
  349    H    ILE  54           HN       ILE  54   2.725  -7.785   6.113
  350    HA   ILE  54           HA       ILE  54   3.640  -9.760   8.110
  351    HB   ILE  54           HB       ILE  54   0.994  -8.323   8.265
  352   HG12  ILE  54          HG12      ILE  54   2.814  -6.632   8.437
  353   HG13  ILE  54          HG11      ILE  54   1.915  -6.823   9.942
  354   HG21  ILE  54          HG21      ILE  54   1.052  -9.090  10.595
  355   HG22  ILE  54          HG22      ILE  54   2.596  -9.884  10.285
  356   HG23  ILE  54          HG23      ILE  54   1.142 -10.425   9.448
  357   HD11  ILE  54          HD11      ILE  54   3.707  -8.188  10.862
  358   HD12  ILE  54          HD12      ILE  54   4.304  -6.611  10.346
  359   HD13  ILE  54          HD13      ILE  54   4.605  -8.038   9.353
  360    HA   PRO  55           HA       PRO  55   4.108 -11.666   7.972
  361    HB2  PRO  55           HB2      PRO  55   4.256 -13.772   5.938
  362    HB3  PRO  55           HB1      PRO  55   4.256 -13.918   7.696
  363    HG2  PRO  55           HG2      PRO  55   2.163 -14.702   6.196
  364    HG3  PRO  55           HG1      PRO  55   1.961 -14.023   7.821
  365    HD2  PRO  55           HD2      PRO  55   1.592 -12.699   5.157
  366    HD3  PRO  55           HD1      PRO  55   0.596 -12.581   6.622
  367    H    ARG  56           HN       ARG  56   6.341 -12.056   7.016
  368    HA   ARG  56           HA       ARG  56   6.911  -9.841   5.361
  369    HB2  ARG  56           HB2      ARG  56   8.378 -10.889   7.143
  370    HB3  ARG  56           HB1      ARG  56   8.786 -12.119   5.956
  371    HG2  ARG  56           HG2      ARG  56   9.801 -10.502   4.521
  372    HG3  ARG  56           HG1      ARG  56   9.219  -9.173   5.525
  373    HD2  ARG  56           HD2      ARG  56  11.238 -11.276   6.296
  374    HD3  ARG  56           HD1      ARG  56  11.556  -9.568   5.990
  375    HE   ARG  56           HE       ARG  56   9.639  -9.723   8.014
  376   HH11  ARG  56          HH11      ARG  56  13.033 -10.468   7.513
  377   HH12  ARG  56          HH12      ARG  56  13.423 -10.374   9.202
  378   HH21  ARG  56          HH21      ARG  56  10.153  -9.611  10.223
  379   HH22  ARG  56          HH22      ARG  56  11.788  -9.895  10.750
  380    H    ASP  57           HN       ASP  57   6.318 -13.173   4.649
  381    HA   ASP  57           HA       ASP  57   7.571 -13.124   2.053
  382    HB2  ASP  57           HB2      ASP  57   7.478 -15.215   3.331
  383    HB3  ASP  57           HB1      ASP  57   5.719 -15.155   3.322
  384    H    ARG  58           HN       ARG  58   4.434 -12.648   3.416
  385    HA   ARG  58           HA       ARG  58   3.380 -11.732   0.866
  386    HB2  ARG  58           HB2      ARG  58   3.073 -14.324   1.258
  387    HB3  ARG  58           HB1      ARG  58   1.759 -13.788   2.300
  388    HG2  ARG  58           HG2      ARG  58   0.817 -12.544   0.393
  389    HG3  ARG  58           HG1      ARG  58   2.081 -13.232  -0.631
  390    HD2  ARG  58           HD2      ARG  58   1.288 -15.498   0.034
  391    HD3  ARG  58           HD1      ARG  58  -0.053 -14.729   0.880
  392    HE   ARG  58           HE       ARG  58   0.343 -14.850  -2.021
  393   HH11  ARG  58          HH11      ARG  58  -1.631 -13.907   0.720
  394   HH12  ARG  58          HH12      ARG  58  -3.068 -13.685  -0.234
  395   HH21  ARG  58          HH21      ARG  58  -1.529 -14.587  -3.262
  396   HH22  ARG  58          HH22      ARG  58  -3.016 -14.094  -2.501
  397    HA   PRO  59           HA       PRO  59   1.968  -9.292   4.558
  398    HB2  PRO  59           HB2      PRO  59   1.529  -7.099   2.862
  399    HB3  PRO  59           HB1      PRO  59   2.890  -7.325   3.965
  400    HG2  PRO  59           HG2      PRO  59   2.737  -7.722   1.041
  401    HG3  PRO  59           HG1      PRO  59   4.132  -7.322   2.051
  402    HD2  PRO  59           HD2      PRO  59   3.740  -9.777   0.954
  403    HD3  PRO  59           HD1      PRO  59   4.607  -9.525   2.481
  404    H    PHE  60           HN       PHE  60  -0.081  -9.453   5.137
  405    HA   PHE  60           HA       PHE  60  -2.153 -10.136   3.368
  406    HB2  PHE  60           HB2      PHE  60  -3.654  -9.703   5.306
  407    HB3  PHE  60           HB1      PHE  60  -2.318 -10.786   5.648
  408    HD1  PHE  60           HD1      PHE  60  -2.157  -7.099   5.484
  409    HD2  PHE  60           HD2      PHE  60  -2.187 -10.539   8.008
  410    HE1  PHE  60           HE1      PHE  60  -1.524  -5.689   7.398
  411    HE2  PHE  60           HE2      PHE  60  -1.554  -9.120   9.927
  412    HZ   PHE  60           HZ       PHE  60  -1.269  -6.746   9.672
  413    H    VAL  61           HN       VAL  61  -0.801  -7.065   4.076
  414    HA   VAL  61           HA       VAL  61  -3.079  -5.510   3.400
  415    HB   VAL  61           HB       VAL  61  -1.202  -3.839   2.715
  416   HG11  VAL  61          HG11      VAL  61  -2.645  -3.544   4.659
  417   HG12  VAL  61          HG12      VAL  61  -0.985  -3.131   5.083
  418   HG13  VAL  61          HG13      VAL  61  -1.663  -4.679   5.588
  419   HG21  VAL  61          HG21      VAL  61   0.660  -5.337   2.693
  420   HG22  VAL  61          HG22      VAL  61   0.340  -5.840   4.354
  421   HG23  VAL  61          HG23      VAL  61   0.882  -4.195   4.018
  422    H    CYS  62           HN       CYS  62  -0.816  -7.398   1.718
  423    HA   CYS  62           HA       CYS  62  -1.271  -5.996  -0.750
  424    HB2  CYS  62           HB2      CYS  62   0.953  -7.082  -0.060
  425    HB3  CYS  62           HB1      CYS  62   0.163  -8.625  -0.390
  426    H    ALA  63           HN       ALA  63  -2.953  -7.980   1.066
  427    HA   ALA  63           HA       ALA  63  -4.312  -9.446  -1.045
  428    HB1  ALA  63           HB1      ALA  63  -3.859 -10.417   1.167
  429    HB2  ALA  63           HB2      ALA  63  -5.581 -10.395   0.762
  430    HB3  ALA  63           HB3      ALA  63  -4.922  -9.206   1.888
  431    HA   PRO  64           HA       PRO  64  -6.718  -5.577  -1.278
  432    HB2  PRO  64           HB2      PRO  64  -6.422  -5.782  -4.147
  433    HB3  PRO  64           HB1      PRO  64  -5.649  -4.643  -3.040
  434    HG2  PRO  64           HG2      PRO  64  -4.224  -6.528  -4.357
  435    HG3  PRO  64           HG1      PRO  64  -3.796  -5.998  -2.693
  436    HD2  PRO  64           HD2      PRO  64  -5.510  -8.364  -3.514
  437    HD3  PRO  64           HD1      PRO  64  -4.039  -8.357  -2.500
  438    H    SER  65           HN       SER  65  -8.336  -4.930  -3.176
  439    HA   SER  65           HA       SER  65 -10.451  -5.039  -3.872
  440    HB2  SER  65           HB2      SER  65 -11.080  -7.148  -5.169
  441    HB3  SER  65           HB1      SER  65  -9.688  -6.230  -5.736
  442    HG   SER  65           HG       SER  65  -9.116  -8.198  -3.888
  443    H    SER  66           HN       SER  66 -11.336  -8.277  -3.656
  444    HA   SER  66           HA       SER  66 -13.010  -9.256  -2.494
  445    HB2  SER  66           HB2      SER  66 -11.430  -9.494  -0.700
  446    HB3  SER  66           HB1      SER  66 -11.657  -7.818  -0.202
  447    HG   SER  66           HG       SER  66 -13.856  -8.392   0.282
  448    H    LYS  67           HN       LYS  67 -14.525  -8.025  -3.702
  449    HA   LYS  67           HA       LYS  67 -15.508  -5.511  -2.854
  450    HB2  LYS  67           HB2      LYS  67 -15.739  -6.491  -5.153
  451    HB3  LYS  67           HB1      LYS  67 -16.969  -7.572  -4.514
  452    HG2  LYS  67           HG2      LYS  67 -18.373  -5.673  -3.941
  453    HG3  LYS  67           HG1      LYS  67 -17.123  -4.560  -4.500
  454    HD2  LYS  67           HD2      LYS  67 -18.596  -6.576  -6.194
  455    HD3  LYS  67           HD1      LYS  67 -18.875  -4.833  -6.176
  456    HE2  LYS  67           HE2      LYS  67 -16.492  -4.533  -6.884
  457    HE3  LYS  67           HE1      LYS  67 -16.385  -6.282  -7.073
  458    HZ1  LYS  67           HZ1      LYS  67 -16.844  -5.322  -9.186
  459    HZ2  LYS  67           HZ2      LYS  67 -18.142  -4.421  -8.573
  460    HZ3  LYS  67           HZ3      LYS  67 -18.261  -6.109  -8.674
  461    H    THR  68           HN       THR  68 -16.103  -8.699  -1.744
  462    HA   THR  68           HA       THR  68 -18.641  -8.074  -0.531
  463    HB   THR  68           HB       THR  68 -16.907 -10.475   0.058
  464    HG1  THR  68           HG1      THR  68 -17.471 -11.305  -1.824
  465   HG21  THR  68          HG21      THR  68 -18.801 -10.173   1.561
  466   HG22  THR  68          HG22      THR  68 -19.083 -11.556   0.503
  467   HG23  THR  68          HG23      THR  68 -19.895 -10.020   0.187
  468    H    GLY  69           HN       GLY  69 -17.853  -6.178   0.634
  469    HA2  GLY  69           HA2      GLY  69 -17.763  -5.443   2.878
  470    HA3  GLY  69           HA1      GLY  69 -17.012  -6.970   3.322
  471    H    SER  70           HN       SER  70 -16.452  -3.819   3.218
  472    HA   SER  70           HA       SER  70 -14.584  -2.603   3.656
  473    HB2  SER  70           HB2      SER  70 -13.017  -5.141   3.164
  474    HB3  SER  70           HB1      SER  70 -12.389  -3.654   3.872
  475    HG   SER  70           HG       SER  70 -13.286  -5.580   5.232
  476    H    VAL  71           HN       VAL  71 -14.397  -4.735   0.877
  477    HA   VAL  71           HA       VAL  71 -13.172  -4.612  -1.088
  478    HB   VAL  71           HB       VAL  71 -14.311  -1.856  -1.260
  479   HG11  VAL  71          HG11      VAL  71 -13.978  -4.058  -3.285
  480   HG12  VAL  71          HG12      VAL  71 -12.987  -2.606  -3.143
  481   HG13  VAL  71          HG13      VAL  71 -14.684  -2.473  -3.607
  482   HG21  VAL  71          HG21      VAL  71 -15.854  -4.429  -1.513
  483   HG22  VAL  71          HG22      VAL  71 -16.459  -2.837  -1.969
  484   HG23  VAL  71          HG23      VAL  71 -16.076  -3.186  -0.282
  485    H    THR  72           HN       THR  72 -11.169  -4.383   0.329
  486    HA   THR  72           HA       THR  72  -9.998  -1.712   0.169
  487    HB   THR  72           HB       THR  72  -9.075  -4.181   1.650
  488    HG1  THR  72           HG1      THR  72 -10.960  -2.503   2.224
  489   HG21  THR  72          HG21      THR  72  -7.447  -2.701   2.741
  490   HG22  THR  72          HG22      THR  72  -7.956  -1.370   1.703
  491   HG23  THR  72          HG23      THR  72  -7.160  -2.780   1.003
  492    H    THR  73           HN       THR  73  -9.212  -1.383  -1.788
  493    HA   THR  73           HA       THR  73  -7.878  -3.579  -3.195
  494    HB   THR  73           HB       THR  73  -7.904  -1.943  -5.151
  495    HG1  THR  73           HG1      THR  73  -9.705  -0.572  -3.407
  496   HG21  THR  73          HG21      THR  73 -10.260  -2.377  -5.681
  497   HG22  THR  73          HG22      THR  73 -10.553  -2.818  -3.998
  498   HG23  THR  73          HG23      THR  73  -9.478  -3.801  -4.993
  499    H    THR  74           HN       THR  74  -5.814  -3.722  -2.523
  500    HA   THR  74           HA       THR  74  -4.392  -1.237  -1.949
  501    HB   THR  74           HB       THR  74  -2.647  -2.701  -0.975
  502    HG1  THR  74           HG1      THR  74  -3.294  -4.928  -0.662
  503   HG21  THR  74          HG21      THR  74  -3.993  -3.511   0.934
  504   HG22  THR  74          HG22      THR  74  -5.460  -3.129   0.028
  505   HG23  THR  74          HG23      THR  74  -4.351  -1.838   0.497
  506    H    TYR  75           HN       TYR  75  -2.508  -0.656  -2.874
  507    HA   TYR  75           HA       TYR  75  -1.762  -2.056  -5.350
  508    HB2  TYR  75           HB2      TYR  75  -1.008   0.746  -4.498
  509    HB3  TYR  75           HB1      TYR  75  -0.758   0.018  -6.075
  510    HD1  TYR  75           HD2      TYR  75  -3.756  -1.218  -5.901
  511    HD2  TYR  75           HD1      TYR  75  -2.021   2.655  -5.599
  512    HE1  TYR  75           HE2      TYR  75  -5.869  -0.214  -6.673
  513    HE2  TYR  75           HE1      TYR  75  -4.110   3.669  -6.369
  514    HH   TYR  75           HH       TYR  75  -7.051   1.820  -6.735
  515    H    CYS  76           HN       CYS  76  -0.277  -3.578  -4.609
  516    HA   CYS  76           HA       CYS  76   2.006  -2.505  -3.094
  517    HB2  CYS  76           HB2      CYS  76   2.292  -5.091  -2.595
  518    HB3  CYS  76           HB1      CYS  76   1.257  -4.066  -1.612
  519    H    CYS  77           HN       CYS  77   3.867  -2.446  -4.061
  520    HA   CYS  77           HA       CYS  77   4.763  -4.587  -5.779
  521    HB2  CYS  77           HB2      CYS  77   5.356  -2.748  -7.582
  522    HB3  CYS  77           HB1      CYS  77   3.782  -3.543  -7.587
  523    H    ASN  78           HN       ASN  78   7.018  -4.249  -6.503
  524    HA   ASN  78           HA       ASN  78   8.467  -2.888  -4.329
  525    HB2  ASN  78           HB2      ASN  78   9.007  -5.387  -5.875
  526    HB3  ASN  78           HB1      ASN  78  10.375  -4.476  -5.234
  527   HD21  ASN  78          HD21      ASN  78  10.731  -4.419  -3.053
  528   HD22  ASN  78          HD22      ASN  78   9.840  -5.375  -1.920
  529    H    GLN  79           HN       GLN  79   7.536  -1.877  -7.052
  530    HA   GLN  79           HA       GLN  79  10.059  -0.952  -8.167
  531    HB2  GLN  79           HB2      GLN  79   8.170  -1.486  -9.663
  532    HB3  GLN  79           HB1      GLN  79   7.195  -0.261  -8.867
  533    HG2  GLN  79           HG2      GLN  79   8.897   1.430  -9.602
  534    HG3  GLN  79           HG1      GLN  79   9.631   0.155 -10.576
  535   HE21  GLN  79          HE21      GLN  79   6.979  -1.039 -11.123
  536   HE22  GLN  79          HE22      GLN  79   6.251  -0.019 -12.320
  537    H    ASP  80           HN       ASP  80  10.881   1.116  -7.855
  538    HA   ASP  80           HA       ASP  80  10.082   2.548  -5.555
  539    HB2  ASP  80           HB2      ASP  80  12.349   2.759  -6.250
  540    HB3  ASP  80           HB1      ASP  80  11.876   3.284  -7.864
  541    H    HIS  81           HN       HIS  81   8.667   4.169  -5.247
  542    HA   HIS  81           HA       HIS  81   7.026   5.671  -5.596
  543    HB2  HIS  81           HB2      HIS  81   8.558   5.993  -8.156
  544    HB3  HIS  81           HB1      HIS  81   7.037   6.844  -7.920
  545    HD1  HIS  81           HD1      HIS  81  10.612   6.844  -6.882
  546    HD2  HIS  81           HD2      HIS  81   7.094   8.852  -5.919
  547    HE1  HIS  81           HE1      HIS  81  11.321   8.889  -5.603
  548    HE2  HIS  81           HE2      HIS  81   9.196  10.188  -5.212
  549    H    CYS  82           HN       CYS  82   6.832   2.783  -6.449
  550    HA   CYS  82           HA       CYS  82   4.814   2.794  -8.519
  551    HB2  CYS  82           HB2      CYS  82   6.426   0.931  -8.261
  552    HB3  CYS  82           HB1      CYS  82   5.735   0.565  -6.688
  553    H    ASN  83           HN       ASN  83   3.720   4.472  -6.954
  554    HA   ASN  83           HA       ASN  83   1.954   3.038  -5.086
  555    HB2  ASN  83           HB2      ASN  83   1.521   5.241  -4.084
  556    HB3  ASN  83           HB1      ASN  83   3.240   4.874  -4.093
  557   HD21  ASN  83          HD21      ASN  83   0.725   6.813  -5.535
  558   HD22  ASN  83          HD22      ASN  83   1.774   7.977  -6.277
  559    H    LYS  84           HN       LYS  84   1.724   3.162  -8.028
  560    HA   LYS  84           HA       LYS  84  -1.056   3.932  -8.104
  561    HB2  LYS  84           HB2      LYS  84   0.020   6.028  -8.738
  562    HB3  LYS  84           HB1      LYS  84   0.912   5.201 -10.011
  563    HG2  LYS  84           HG2      LYS  84  -1.251   4.596 -11.069
  564    HG3  LYS  84           HG1      LYS  84  -2.070   5.569  -9.843
  565    HD2  LYS  84           HD2      LYS  84   0.117   6.812 -11.445
  566    HD3  LYS  84           HD1      LYS  84  -1.469   6.599 -12.183
  567    HE2  LYS  84           HE2      LYS  84  -1.252   8.813 -11.192
  568    HE3  LYS  84           HE1      LYS  84  -2.494   7.874 -10.375
  569    HZ1  LYS  84           HZ1      LYS  84   0.278   8.259  -9.376
  570    HZ2  LYS  84           HZ2      LYS  84  -0.982   7.456  -8.571
  571    HZ3  LYS  84           HZ3      LYS  84  -1.082   9.124  -8.841
  572    H    ILE  85           HN       ILE  85  -1.453   1.807  -8.405
  573    HA   ILE  85           HA       ILE  85  -1.401   0.951 -11.170
  574    HB   ILE  85           HB       ILE  85  -0.771  -1.393 -10.568
  575   HG12  ILE  85          HG12      ILE  85  -1.158  -1.025  -8.071
  576   HG13  ILE  85          HG11      ILE  85   0.243  -1.989  -8.523
  577   HG21  ILE  85          HG21      ILE  85   1.642  -1.072 -10.560
  578   HG22  ILE  85          HG22      ILE  85   1.420   0.617 -10.104
  579   HG23  ILE  85          HG23      ILE  85   0.844   0.044 -11.668
  580   HD11  ILE  85          HD11      ILE  85   0.290   0.915  -7.726
  581   HD12  ILE  85          HD12      ILE  85   1.692  -0.069  -8.147
  582   HD13  ILE  85          HD13      ILE  85   0.748  -0.449  -6.707
  583    H    GLU  86           HN       GLU  86  -2.704  -1.365 -11.049
  584    HA   GLU  86           HA       GLU  86  -4.376  -1.487  -8.678
  585    HB2  GLU  86           HB2      GLU  86  -5.647  -0.012 -10.235
  586    HB3  GLU  86           HB1      GLU  86  -5.699  -1.338 -11.392
  587    HG2  GLU  86           HG2      GLU  86  -6.994  -2.685  -9.887
  588    HG3  GLU  86           HG1      GLU  86  -6.806  -1.498  -8.597
  589    H    LEU  87           HN       LEU  87  -3.913  -3.472  -8.045
  590    HA   LEU  87           HA       LEU  87  -4.150  -5.631 -10.010
  591    HB2  LEU  87           HB2      LEU  87  -2.761  -6.990  -8.484
  592    HB3  LEU  87           HB1      LEU  87  -1.936  -5.576  -9.104
  593    HG   LEU  87           HG       LEU  87  -3.221  -5.309  -6.438
  594   HD11  LEU  87          HD11      LEU  87  -1.308  -6.335  -5.326
  595   HD12  LEU  87          HD12      LEU  87  -0.648  -6.820  -6.889
  596   HD13  LEU  87          HD13      LEU  87  -2.165  -7.518  -6.317
  597   HD21  LEU  87          HD21      LEU  87  -1.243  -3.954  -6.012
  598   HD22  LEU  87          HD22      LEU  87  -2.023  -3.439  -7.506
  599   HD23  LEU  87          HD23      LEU  87  -0.564  -4.424  -7.569
  600    HA   PRO  88           HA       PRO  88  -7.777  -6.406  -7.393
  601    HB2  PRO  88           HB2      PRO  88  -8.884  -7.749  -9.709
  602    HB3  PRO  88           HB1      PRO  88  -9.425  -6.255  -8.941
  603    HG2  PRO  88           HG2      PRO  88  -8.300  -6.346 -11.428
  604    HG3  PRO  88           HG1      PRO  88  -8.209  -4.934 -10.362
  605    HD2  PRO  88           HD2      PRO  88  -6.156  -7.059 -10.868
  606    HD3  PRO  88           HD1      PRO  88  -5.942  -5.301 -10.712
  607    H    THR  89           HN       THR  89  -7.132  -7.996  -6.024
  608    HA   THR  89           HA       THR  89  -6.863 -10.683  -7.164
  609    HB   THR  89           HB       THR  89  -5.244  -9.570  -4.863
  610    HG1  THR  89           HG1      THR  89  -4.617 -10.192  -7.579
  611   HG21  THR  89          HG21      THR  89  -4.004 -11.682  -5.010
  612   HG22  THR  89          HG22      THR  89  -5.117 -12.252  -6.253
  613   HG23  THR  89          HG23      THR  89  -5.697 -11.967  -4.611
  614    H    THR  90           HN       THR  90  -6.764  -9.778  -3.712
  615    HA   THR  90           HA       THR  90  -9.302 -10.646  -2.937
  616    HB   THR  90           HB       THR  90  -7.304 -12.918  -3.135
  617    HG1  THR  90           HG1      THR  90  -9.187 -12.244  -4.733
  618   HG21  THR  90          HG21      THR  90  -8.878 -14.279  -1.837
  619   HG22  THR  90          HG22      THR  90  -9.883 -12.856  -1.565
  620   HG23  THR  90          HG23      THR  90  -8.258 -12.929  -0.884
  621    H    VAL  91           HN       VAL  91  -9.464  -9.935  -0.902
  622    HA   VAL  91           HA       VAL  91  -7.140  -9.364   0.681
  623    HB   VAL  91           HB       VAL  91 -10.042  -9.306   1.495
  624   HG11  VAL  91          HG11      VAL  91  -8.540  -9.406   3.407
  625   HG12  VAL  91          HG12      VAL  91  -9.320  -7.827   3.303
  626   HG13  VAL  91          HG13      VAL  91  -7.645  -8.020   2.783
  627   HG21  VAL  91          HG21      VAL  91  -9.960  -6.877   1.123
  628   HG22  VAL  91          HG22      VAL  91  -9.665  -7.778  -0.364
  629   HG23  VAL  91          HG23      VAL  91  -8.316  -7.044   0.502
  630    HN1  NH2  92           HN1      NH2  92  -9.968 -11.040   2.027
  Start of MODEL   10
    1    H1   GLY   5           HN       GLY   5  12.231  -5.792  -6.255
    2    HA2  GLY   5           HA2      GLY   5  11.072  -7.092  -4.098
    3    HA3  GLY   5           HA1      GLY   5  12.803  -7.074  -3.780
    4    H    SER   6           HN       SER   6  13.636  -4.717  -4.639
    5    HA   SER   6           HA       SER   6  12.112  -2.416  -4.142
    6    HB2  SER   6           HB2      SER   6  13.079  -1.806  -1.895
    7    HB3  SER   6           HB1      SER   6  11.914  -3.127  -1.837
    8    HG   SER   6           HG       SER   6  13.642  -3.758  -0.620
    9    H    ALA   7           HN       ALA   7  13.228  -0.944  -5.233
   10    HA   ALA   7           HA       ALA   7  15.961  -1.098  -5.870
   11    HB1  ALA   7           HB1      ALA   7  14.201   1.353  -5.684
   12    HB2  ALA   7           HB2      ALA   7  14.379   0.318  -7.101
   13    HB3  ALA   7           HB3      ALA   7  15.754   1.254  -6.516
   14    H    THR   8           HN       THR   8  17.566   0.659  -5.104
   15    HA   THR   8           HA       THR   8  17.999   0.358  -2.336
   16    HB   THR   8           HB       THR   8  19.134   2.545  -4.103
   17    HG1  THR   8           HG1      THR   8  19.591  -0.209  -4.004
   18   HG21  THR   8          HG21      THR   8  21.060   2.410  -2.585
   19   HG22  THR   8          HG22      THR   8  20.224   1.185  -1.633
   20   HG23  THR   8          HG23      THR   8  19.586   2.826  -1.710
   21    H    ALA   9           HN       ALA   9  16.516   1.017  -0.975
   22    HA   ALA   9           HA       ALA   9  15.145   2.319   0.256
   23    HB1  ALA   9           HB1      ALA   9  16.957   3.974   0.286
   24    HB2  ALA   9           HB2      ALA   9  15.369   4.740   0.235
   25    HB3  ALA   9           HB3      ALA   9  16.353   4.657  -1.225
   26    H    LEU  10           HN       LEU  10  13.424   1.270  -0.850
   27    HA   LEU  10           HA       LEU  10  12.208   2.285  -3.193
   28    HB2  LEU  10           HB2      LEU  10  11.811   0.061  -1.663
   29    HB3  LEU  10           HB1      LEU  10  10.448   1.038  -1.166
   30    HG   LEU  10           HG       LEU  10   9.761  -0.483  -2.939
   31   HD11  LEU  10          HD11      LEU  10   8.887   1.097  -4.572
   32   HD12  LEU  10          HD12      LEU  10   9.956   2.348  -3.938
   33   HD13  LEU  10          HD13      LEU  10   8.680   1.676  -2.921
   34   HD21  LEU  10          HD21      LEU  10  11.906   0.841  -4.597
   35   HD22  LEU  10          HD22      LEU  10  10.735  -0.349  -5.169
   36   HD23  LEU  10          HD23      LEU  10  11.947  -0.806  -3.972
   37    H    GLN  11           HN       GLN  11  10.327   3.589  -3.356
   38    HA   GLN  11           HA       GLN  11   9.704   5.242  -1.020
   39    HB2  GLN  11           HB2      GLN  11  11.639   6.295  -2.188
   40    HB3  GLN  11           HB1      GLN  11  10.644   6.447  -3.628
   41    HG2  GLN  11           HG2      GLN  11   9.123   7.922  -2.441
   42    HG3  GLN  11           HG1      GLN  11  10.075   7.737  -0.969
   43   HE21  GLN  11          HE21      GLN  11  12.024   8.789  -0.773
   44   HE22  GLN  11          HE22      GLN  11  12.559   9.999  -1.891
   45    H    CYS  12           HN       CYS  12   7.565   5.567  -0.905
   46    HA   CYS  12           HA       CYS  12   5.982   5.487  -3.381
   47    HB2  CYS  12           HB2      CYS  12   5.182   3.792  -1.025
   48    HB3  CYS  12           HB1      CYS  12   4.600   3.711  -2.689
   49    H    PHE  13           HN       PHE  13   3.734   6.123  -3.053
   50    HA   PHE  13           HA       PHE  13   3.361   8.501  -1.712
   51    HB2  PHE  13           HB2      PHE  13   1.903   7.281  -3.491
   52    HB3  PHE  13           HB1      PHE  13   1.115   6.530  -2.114
   53    HD1  PHE  13           HD2      PHE  13   0.275   8.195  -0.291
   54    HD2  PHE  13           HD1      PHE  13   1.034   9.234  -4.345
   55    HE1  PHE  13           HE2      PHE  13  -1.212  10.151  -0.069
   56    HE2  PHE  13           HE1      PHE  13  -0.438  11.189  -4.132
   57    HZ   PHE  13           HZ       PHE  13  -1.622  11.617  -2.081
   58    H    CYS  14           HN       CYS  14   2.863   9.048   0.381
   59    HA   CYS  14           HA       CYS  14   2.455   6.792   2.177
   60    HB2  CYS  14           HB2      CYS  14   3.925   7.722   3.807
   61    HB3  CYS  14           HB1      CYS  14   4.769   7.659   2.267
   62    H    HIS  15           HN       HIS  15   1.517   7.380   4.318
   63    HA   HIS  15           HA       HIS  15  -0.645   9.280   3.976
   64    HB2  HIS  15           HB2      HIS  15  -1.567   8.349   6.040
   65    HB3  HIS  15           HB1      HIS  15  -1.131   7.059   4.931
   66    HD1  HIS  15           HD1      HIS  15  -1.280   7.324   8.290
   67    HD2  HIS  15           HD2      HIS  15   1.965   6.567   5.795
   68    HE1  HIS  15           HE1      HIS  15   0.414   6.124   9.715
   69    HE2  HIS  15           HE2      HIS  15   2.289   5.513   8.134
   70    H    LEU  16           HN       LEU  16   2.413   9.145   5.485
   71    HA   LEU  16           HA       LEU  16   1.892  11.266   7.376
   72    HB2  LEU  16           HB2      LEU  16   4.538  10.118   6.468
   73    HB3  LEU  16           HB1      LEU  16   4.268  11.118   7.882
   74    HG   LEU  16           HG       LEU  16   3.144   8.341   7.508
   75   HD11  LEU  16          HD11      LEU  16   5.577   8.306   7.703
   76   HD12  LEU  16          HD12      LEU  16   4.806   7.645   9.144
   77   HD13  LEU  16          HD13      LEU  16   5.477   9.276   9.172
   78   HD21  LEU  16          HD21      LEU  16   1.786   9.756   8.959
   79   HD22  LEU  16          HD22      LEU  16   3.211  10.151   9.919
   80   HD23  LEU  16          HD23      LEU  16   2.606   8.495   9.878
   81    H    CYS  17           HN       CYS  17   2.353  11.055   4.122
   82    HA   CYS  17           HA       CYS  17   4.399  12.699   3.376
   83    HB2  CYS  17           HB2      CYS  17   1.753  12.208   2.050
   84    HB3  CYS  17           HB1      CYS  17   3.050  13.140   1.311
   85    H    THR  18           HN       THR  18   4.629  14.607   4.484
   86    HA   THR  18           HA       THR  18   2.909  16.641   3.280
   87    HB   THR  18           HB       THR  18   3.075  18.013   5.302
   88    HG1  THR  18           HG1      THR  18   3.826  15.710   6.764
   89   HG21  THR  18          HG21      THR  18   1.786  15.317   5.707
   90   HG22  THR  18          HG22      THR  18   1.054  16.730   4.945
   91   HG23  THR  18          HG23      THR  18   1.439  16.758   6.666
   92    H    LYS  19           HN       LYS  19   5.717  16.865   5.473
   93    HA   LYS  19           HA       LYS  19   7.190  18.140   3.258
   94    HB2  LYS  19           HB2      LYS  19   7.482  18.549   6.240
   95    HB3  LYS  19           HB1      LYS  19   8.570  19.229   5.038
   96    HG2  LYS  19           HG2      LYS  19   7.127  20.978   5.493
   97    HG3  LYS  19           HG1      LYS  19   6.450  20.278   4.022
   98    HD2  LYS  19           HD2      LYS  19   5.064  18.856   5.773
   99    HD3  LYS  19           HD1      LYS  19   5.409  20.245   6.808
  100    HE2  LYS  19           HE2      LYS  19   4.539  21.692   4.926
  101    HE3  LYS  19           HE1      LYS  19   3.973  20.200   4.167
  102    HZ1  LYS  19           HZ1      LYS  19   2.303  21.432   5.575
  103    HZ2  LYS  19           HZ2      LYS  19   3.215  20.978   6.929
  104    HZ3  LYS  19           HZ3      LYS  19   2.505  19.795   5.949
  105    H    ASP  20           HN       ASP  20   6.873  15.357   4.818
  106    HA   ASP  20           HA       ASP  20   9.311  14.256   5.379
  107    HB2  ASP  20           HB2      ASP  20   7.147  13.004   3.654
  108    HB3  ASP  20           HB1      ASP  20   8.325  12.128   4.621
  109    H    ASN  21           HN       ASN  21   7.776  14.188   2.229
  110    HA   ASN  21           HA       ASN  21   9.767  15.414   0.721
  111    HB2  ASN  21           HB2      ASN  21  11.025  13.277   1.327
  112    HB3  ASN  21           HB1      ASN  21   9.805  12.390   0.422
  113   HD21  ASN  21          HD21      ASN  21  11.305  11.608  -1.053
  114   HD22  ASN  21          HD22      ASN  21  12.028  12.615  -2.257
  115    H    PHE  22           HN       PHE  22   6.905  15.308   1.096
  116    HA   PHE  22           HA       PHE  22   4.881  14.707   0.271
  117    HB2  PHE  22           HB2      PHE  22   6.426  14.812  -2.329
  118    HB3  PHE  22           HB1      PHE  22   4.670  14.718  -2.220
  119    HD1  PHE  22           HD2      PHE  22   3.462  16.585  -0.962
  120    HD2  PHE  22           HD1      PHE  22   7.507  16.862  -2.250
  121    HE1  PHE  22           HE2      PHE  22   3.343  19.039  -0.802
  122    HE2  PHE  22           HE1      PHE  22   7.396  19.314  -2.094
  123    HZ   PHE  22           HZ       PHE  22   5.299  20.401  -1.301
  124    H    THR  23           HN       THR  23   6.984  12.612   0.888
  125    HA   THR  23           HA       THR  23   5.388  10.347   0.516
  126    HB   THR  23           HB       THR  23   6.013  10.278  -1.763
  127    HG1  THR  23           HG1      THR  23   6.175   8.230  -1.003
  128   HG21  THR  23          HG21      THR  23   7.946  11.824  -1.621
  129   HG22  THR  23          HG22      THR  23   8.315  10.382  -2.569
  130   HG23  THR  23          HG23      THR  23   8.903  10.522  -0.907
  131    H    CYS  24           HN       CYS  24   7.062   8.314   0.839
  132    HA   CYS  24           HA       CYS  24   8.878   8.978   2.995
  133    HB2  CYS  24           HB2      CYS  24   6.997   8.682   4.335
  134    HB3  CYS  24           HB1      CYS  24   6.294   7.485   3.258
  135    H    VAL  25           HN       VAL  25  10.494   7.571   3.154
  136    HA   VAL  25           HA       VAL  25  10.795   5.652   1.009
  137    HB   VAL  25           HB       VAL  25  12.602   7.215   1.482
  138   HG11  VAL  25          HG11      VAL  25  12.815   5.846   4.154
  139   HG12  VAL  25          HG12      VAL  25  12.259   7.494   3.866
  140   HG13  VAL  25          HG13      VAL  25  13.933   7.055   3.522
  141   HG21  VAL  25          HG21      VAL  25  14.470   5.628   1.590
  142   HG22  VAL  25          HG22      VAL  25  13.195   5.089   0.497
  143   HG23  VAL  25          HG23      VAL  25  13.351   4.362   2.096
  144    H    THR  26           HN       THR  26  11.265   3.488   1.232
  145    HA   THR  26           HA       THR  26  10.864   2.198   3.846
  146    HB   THR  26           HB       THR  26   8.672   2.097   3.031
  147    HG1  THR  26           HG1      THR  26   8.437  -0.128   2.586
  148   HG21  THR  26          HG21      THR  26   9.057   2.873   0.754
  149   HG22  THR  26          HG22      THR  26   8.083   1.401   0.749
  150   HG23  THR  26          HG23      THR  26   9.796   1.327   0.342
  151    H    ASP  27           HN       ASP  27  11.641   0.057   3.950
  152    HA   ASP  27           HA       ASP  27  13.662  -0.603   1.918
  153    HB2  ASP  27           HB2      ASP  27  14.297  -0.518   4.345
  154    HB3  ASP  27           HB1      ASP  27  13.187  -1.851   4.646
  155    H    GLY  28           HN       GLY  28  10.457  -1.207   2.392
  156    HA2  GLY  28           HA2      GLY  28  10.639  -4.080   1.782
  157    HA3  GLY  28           HA1      GLY  28   9.216  -3.257   2.406
  158    H    LEU  29           HN       LEU  29   8.086  -1.767   0.950
  159    HA   LEU  29           HA       LEU  29   8.635  -1.631  -1.773
  160    HB2  LEU  29           HB2      LEU  29   6.837  -3.037  -2.714
  161    HB3  LEU  29           HB1      LEU  29   8.111  -3.967  -1.957
  162    HG   LEU  29           HG       LEU  29   5.686  -3.374  -0.330
  163   HD11  LEU  29          HD11      LEU  29   5.791  -5.462  -2.504
  164   HD12  LEU  29          HD12      LEU  29   4.755  -4.035  -2.491
  165   HD13  LEU  29          HD13      LEU  29   4.526  -5.301  -1.286
  166   HD21  LEU  29          HD21      LEU  29   7.621  -4.587   0.591
  167   HD22  LEU  29          HD22      LEU  29   7.416  -5.819  -0.655
  168   HD23  LEU  29          HD23      LEU  29   6.158  -5.572   0.556
  169    H    CYS  30           HN       CYS  30   6.193  -1.333  -2.926
  170    HA   CYS  30           HA       CYS  30   5.088   0.948  -1.493
  171    HB2  CYS  30           HB2      CYS  30   4.588  -0.179  -4.251
  172    HB3  CYS  30           HB1      CYS  30   3.735   1.218  -3.601
  173    H    PHE  31           HN       PHE  31   2.858   1.161  -1.027
  174    HA   PHE  31           HA       PHE  31   1.120  -1.113  -1.277
  175    HB2  PHE  31           HB2      PHE  31   2.090  -1.942   0.674
  176    HB3  PHE  31           HB1      PHE  31   2.332  -0.338   1.351
  177    HD1  PHE  31           HD1      PHE  31  -0.412  -2.645   0.337
  178    HD2  PHE  31           HD2      PHE  31   0.909   0.383   3.020
  179    HE1  PHE  31           HE1      PHE  31  -2.466  -2.924   1.659
  180    HE2  PHE  31           HE2      PHE  31  -1.143   0.112   4.342
  181    HZ   PHE  31           HZ       PHE  31  -2.876  -1.443   3.611
  182    H    VAL  32           HN       VAL  32  -0.577  -0.076  -2.083
  183    HA   VAL  32           HA       VAL  32  -1.614   2.257  -0.617
  184    HB   VAL  32           HB       VAL  32  -2.544   1.281  -3.316
  185   HG11  VAL  32          HG11      VAL  32  -2.798   3.951  -1.947
  186   HG12  VAL  32          HG12      VAL  32  -4.077   2.751  -2.132
  187   HG13  VAL  32          HG13      VAL  32  -3.407   3.551  -3.553
  188   HG21  VAL  32          HG21      VAL  32  -0.360   3.270  -2.719
  189   HG22  VAL  32          HG22      VAL  32  -1.145   3.101  -4.290
  190   HG23  VAL  32          HG23      VAL  32  -0.221   1.756  -3.616
  191    H    SER  33           HN       SER  33  -3.393   1.934   0.639
  192    HA   SER  33           HA       SER  33  -4.990  -0.490   0.140
  193    HB2  SER  33           HB2      SER  33  -5.791  -0.270   2.453
  194    HB3  SER  33           HB1      SER  33  -4.041  -0.441   2.391
  195    HG   SER  33           HG       SER  33  -4.160   2.024   2.411
  196    H    VAL  34           HN       VAL  34  -6.582  -0.086  -1.071
  197    HA   VAL  34           HA       VAL  34  -7.892   2.551  -0.990
  198    HB   VAL  34           HB       VAL  34  -8.369   0.719  -3.266
  199   HG11  VAL  34          HG11      VAL  34  -7.671   3.641  -3.076
  200   HG12  VAL  34          HG12      VAL  34  -9.287   2.951  -3.233
  201   HG13  VAL  34          HG13      VAL  34  -8.127   2.788  -4.551
  202   HG21  VAL  34          HG21      VAL  34  -6.221   1.181  -4.356
  203   HG22  VAL  34          HG22      VAL  34  -5.995   0.261  -2.860
  204   HG23  VAL  34          HG23      VAL  34  -5.653   1.995  -2.897
  205    H    THR  35           HN       THR  35  -9.546   2.191   0.480
  206    HA   THR  35           HA       THR  35 -11.071  -0.299   0.162
  207    HB   THR  35           HB       THR  35 -11.127   1.517   2.574
  208    HG1  THR  35           HG1      THR  35  -9.020   0.339   1.861
  209   HG21  THR  35          HG21      THR  35 -13.012  -0.033   2.359
  210   HG22  THR  35          HG22      THR  35 -11.965  -0.500   3.700
  211   HG23  THR  35          HG23      THR  35 -11.886  -1.381   2.175
  212    H    GLU  36           HN       GLU  36 -12.454   0.409  -1.489
  213    HA   GLU  36           HA       GLU  36 -14.099   2.770  -0.937
  214    HB2  GLU  36           HB2      GLU  36 -13.995   1.004  -3.397
  215    HB3  GLU  36           HB1      GLU  36 -14.943   2.476  -3.232
  216    HG2  GLU  36           HG2      GLU  36 -12.887   3.774  -2.990
  217    HG3  GLU  36           HG1      GLU  36 -11.937   2.297  -3.143
  218    H    THR  37           HN       THR  37 -15.392   2.145   0.637
  219    HA   THR  37           HA       THR  37 -17.004  -0.256   0.279
  220    HB   THR  37           HB       THR  37 -17.728   0.160   2.609
  221    HG1  THR  37           HG1      THR  37 -16.288   1.869   3.667
  222   HG21  THR  37          HG21      THR  37 -14.732   0.278   2.271
  223   HG22  THR  37          HG22      THR  37 -15.714  -1.182   2.155
  224   HG23  THR  37          HG23      THR  37 -15.602  -0.315   3.687
  225    H    THR  38           HN       THR  38 -19.346   0.258   1.372
  226    HA   THR  38           HA       THR  38 -20.563   2.204  -0.355
  227    HB   THR  38           HB       THR  38 -22.643   1.473   1.055
  228    HG1  THR  38           HG1      THR  38 -22.206  -0.738   1.876
  229   HG21  THR  38          HG21      THR  38 -21.145  -0.427  -0.753
  230   HG22  THR  38          HG22      THR  38 -22.279   0.826  -1.260
  231   HG23  THR  38          HG23      THR  38 -22.851  -0.559  -0.333
  232    H    ASP  39           HN       ASP  39 -18.882   2.456   2.389
  233    HA   ASP  39           HA       ASP  39 -20.450   4.415   3.815
  234    HB2  ASP  39           HB2      ASP  39 -18.756   2.811   4.840
  235    HB3  ASP  39           HB1      ASP  39 -17.505   3.827   4.117
  236    H    LYS  40           HN       LYS  40 -17.448   4.353   1.995
  237    HA   LYS  40           HA       LYS  40 -17.801   6.599   0.463
  238    HB2  LYS  40           HB2      LYS  40 -16.041   8.107   1.660
  239    HB3  LYS  40           HB1      LYS  40 -17.720   8.171   2.161
  240    HG2  LYS  40           HG2      LYS  40 -16.535   8.160   4.153
  241    HG3  LYS  40           HG1      LYS  40 -17.055   6.488   3.966
  242    HD2  LYS  40           HD2      LYS  40 -14.837   5.924   3.068
  243    HD3  LYS  40           HD1      LYS  40 -14.327   7.595   3.324
  244    HE2  LYS  40           HE2      LYS  40 -15.249   5.675   5.462
  245    HE3  LYS  40           HE1      LYS  40 -13.580   6.139   5.146
  246    HZ1  LYS  40           HZ1      LYS  40 -14.372   7.413   6.972
  247    HZ2  LYS  40           HZ2      LYS  40 -15.768   7.884   6.133
  248    HZ3  LYS  40           HZ3      LYS  40 -14.252   8.463   5.646
  249    H    VAL  41           HN       VAL  41 -15.500   7.480  -0.268
  250    HA   VAL  41           HA       VAL  41 -14.112   5.038  -1.033
  251    HB   VAL  41           HB       VAL  41 -13.887   7.858  -2.101
  252   HG11  VAL  41          HG11      VAL  41 -12.559   6.864  -3.925
  253   HG12  VAL  41          HG12      VAL  41 -12.564   5.321  -3.068
  254   HG13  VAL  41          HG13      VAL  41 -11.757   6.720  -2.361
  255   HG21  VAL  41          HG21      VAL  41 -15.166   5.361  -3.206
  256   HG22  VAL  41          HG22      VAL  41 -14.978   6.876  -4.090
  257   HG23  VAL  41          HG23      VAL  41 -15.994   6.817  -2.649
  258    H    ILE  42           HN       ILE  42 -12.529   4.405   0.234
  259    HA   ILE  42           HA       ILE  42 -10.874   6.398   1.614
  260    HB   ILE  42           HB       ILE  42 -11.005   3.420   2.124
  261   HG12  ILE  42          HG12      ILE  42 -12.379   5.554   3.748
  262   HG13  ILE  42          HG11      ILE  42 -13.190   4.732   2.419
  263   HG21  ILE  42          HG21      ILE  42  -9.938   5.716   3.767
  264   HG22  ILE  42          HG22      ILE  42  -8.986   4.478   2.950
  265   HG23  ILE  42          HG23      ILE  42 -10.028   4.038   4.303
  266   HD11  ILE  42          HD11      ILE  42 -13.773   3.735   4.535
  267   HD12  ILE  42          HD12      ILE  42 -12.070   3.436   4.890
  268   HD13  ILE  42          HD13      ILE  42 -12.852   2.596   3.551
  269    H    HIS  43           HN       HIS  43  -8.822   6.691   1.002
  270    HA   HIS  43           HA       HIS  43  -7.437   4.528  -0.383
  271    HB2  HIS  43           HB2      HIS  43  -6.483   6.291  -1.997
  272    HB3  HIS  43           HB1      HIS  43  -8.110   5.698  -2.295
  273    HD1  HIS  43           HD1      HIS  43  -6.299   8.756  -0.999
  274    HD2  HIS  43           HD2      HIS  43 -10.081   7.593  -2.264
  275    HE1  HIS  43           HE1      HIS  43  -7.617  10.882  -1.224
  276    HE2  HIS  43           HE2      HIS  43  -9.807  10.166  -2.240
  277    H    ASN  44           HN       ASN  44  -5.876   4.137   1.025
  278    HA   ASN  44           HA       ASN  44  -4.275   6.424   1.920
  279    HB2  ASN  44           HB2      ASN  44  -5.273   4.113   3.576
  280    HB3  ASN  44           HB1      ASN  44  -3.864   5.054   4.051
  281   HD21  ASN  44          HD21      ASN  44  -6.367   4.762   5.437
  282   HD22  ASN  44          HD22      ASN  44  -7.051   6.349   5.576
  283    H    SER  45           HN       SER  45  -2.457   6.239   0.853
  284    HA   SER  45           HA       SER  45  -1.226   3.605   0.503
  285    HB2  SER  45           HB2      SER  45  -1.422   5.043  -1.512
  286    HB3  SER  45           HB1      SER  45  -0.468   6.282  -0.700
  287    HG   SER  45           HG       SER  45   1.284   4.866  -0.670
  288    H    MET  46           HN       MET  46   0.588   3.037   1.512
  289    HA   MET  46           HA       MET  46   1.896   5.110   3.119
  290    HB2  MET  46           HB2      MET  46   1.333   2.291   4.058
  291    HB3  MET  46           HB1      MET  46   2.190   3.532   4.960
  292    HG2  MET  46           HG2      MET  46   0.054   4.893   4.827
  293    HG3  MET  46           HG1      MET  46  -0.726   3.415   4.267
  294    HE1  MET  46           HE1      MET  46  -0.795   1.154   5.721
  295    HE2  MET  46           HE2      MET  46  -0.134   1.028   7.352
  296    HE3  MET  46           HE3      MET  46   0.949   1.229   5.974
  297    H    CYS  47           HN       CYS  47   4.051   4.617   3.660
  298    HA   CYS  47           HA       CYS  47   5.482   3.065   1.696
  299    HB2  CYS  47           HB2      CYS  47   7.491   3.776   3.112
  300    HB3  CYS  47           HB1      CYS  47   6.592   5.082   2.343
  301    H    ILE  48           HN       ILE  48   5.182   0.972   1.912
  302    HA   ILE  48           HA       ILE  48   4.841  -0.095   4.572
  303    HB   ILE  48           HB       ILE  48   3.445  -0.737   2.471
  304   HG12  ILE  48          HG12      ILE  48   4.428  -2.327   4.723
  305   HG13  ILE  48          HG11      ILE  48   2.786  -1.884   4.290
  306   HG21  ILE  48          HG21      ILE  48   4.280  -2.825   1.376
  307   HG22  ILE  48          HG22      ILE  48   5.867  -2.470   2.074
  308   HG23  ILE  48          HG23      ILE  48   5.135  -1.348   0.926
  309   HD11  ILE  48          HD11      ILE  48   3.035  -4.270   4.202
  310   HD12  ILE  48          HD12      ILE  48   4.397  -4.121   3.091
  311   HD13  ILE  48          HD13      ILE  48   2.779  -3.637   2.577
  312    H    ALA  49           HN       ALA  49   6.615  -0.462   5.675
  313    HA   ALA  49           HA       ALA  49   9.077  -1.091   4.311
  314    HB1  ALA  49           HB1      ALA  49   8.485  -0.831   7.265
  315    HB2  ALA  49           HB2      ALA  49   9.109   0.444   6.220
  316    HB3  ALA  49           HB3      ALA  49  10.088  -0.986   6.549
  317    H    GLU  50           HN       GLU  50  10.421  -2.899   5.269
  318    HA   GLU  50           HA       GLU  50   9.159  -5.321   4.705
  319    HB2  GLU  50           HB2      GLU  50  11.598  -5.011   4.649
  320    HB3  GLU  50           HB1      GLU  50  11.608  -4.909   6.408
  321    HG2  GLU  50           HG2      GLU  50  10.784  -7.181   6.567
  322    HG3  GLU  50           HG1      GLU  50  10.703  -7.291   4.811
  323    H    ILE  51           HN       ILE  51   9.591  -3.659   7.758
  324    HA   ILE  51           HA       ILE  51   8.741  -5.692   9.509
  325    HB   ILE  51           HB       ILE  51   8.131  -3.862  11.067
  326   HG12  ILE  51          HG12      ILE  51   9.171  -1.846   9.126
  327   HG13  ILE  51          HG11      ILE  51   7.502  -2.386   8.948
  328   HG21  ILE  51          HG21      ILE  51  10.428  -4.661  10.962
  329   HG22  ILE  51          HG22      ILE  51  10.381  -2.930  11.301
  330   HG23  ILE  51          HG23      ILE  51  10.784  -3.502   9.681
  331   HD11  ILE  51          HD11      ILE  51   8.710  -1.172  11.418
  332   HD12  ILE  51          HD12      ILE  51   7.042  -1.726  11.242
  333   HD13  ILE  51          HD13      ILE  51   7.628  -0.369  10.276
  334    H    ASP  52           HN       ASP  52   7.029  -3.533   7.409
  335    HA   ASP  52           HA       ASP  52   4.468  -3.950   8.686
  336    HB2  ASP  52           HB2      ASP  52   5.283  -2.397   6.226
  337    HB3  ASP  52           HB1      ASP  52   3.642  -2.483   6.831
  338    H    LEU  53           HN       LEU  53   6.342  -5.684   6.566
  339    HA   LEU  53           HA       LEU  53   4.152  -6.737   4.994
  340    HB2  LEU  53           HB2      LEU  53   7.079  -7.316   5.172
  341    HB3  LEU  53           HB1      LEU  53   6.015  -8.522   4.488
  342    HG   LEU  53           HG       LEU  53   5.285  -6.883   2.785
  343   HD11  LEU  53          HD11      LEU  53   7.442  -5.155   3.973
  344   HD12  LEU  53          HD12      LEU  53   5.711  -4.826   3.989
  345   HD13  LEU  53          HD13      LEU  53   6.592  -4.845   2.460
  346   HD21  LEU  53          HD21      LEU  53   8.251  -7.373   2.951
  347   HD22  LEU  53          HD22      LEU  53   7.363  -6.927   1.493
  348   HD23  LEU  53          HD23      LEU  53   7.042  -8.471   2.286
  349    H    ILE  54           HN       ILE  54   2.697  -7.817   6.171
  350    HA   ILE  54           HA       ILE  54   3.675  -9.866   8.045
  351    HB   ILE  54           HB       ILE  54   1.145  -8.398   8.652
  352   HG12  ILE  54          HG12      ILE  54   3.871  -7.358   9.515
  353   HG13  ILE  54          HG11      ILE  54   2.854  -6.607   8.282
  354   HG21  ILE  54          HG21      ILE  54   1.736  -8.976  10.944
  355   HG22  ILE  54          HG22      ILE  54   3.270  -9.647  10.387
  356   HG23  ILE  54          HG23      ILE  54   1.751 -10.398   9.901
  357   HD11  ILE  54          HD11      ILE  54   1.118  -6.229   9.944
  358   HD12  ILE  54          HD12      ILE  54   2.643  -5.478  10.415
  359   HD13  ILE  54          HD13      ILE  54   2.128  -6.982  11.178
  360    HA   PRO  55           HA       PRO  55   3.835 -11.896   7.954
  361    HB2  PRO  55           HB2      PRO  55   3.646 -13.773   5.688
  362    HB3  PRO  55           HB1      PRO  55   3.801 -14.110   7.414
  363    HG2  PRO  55           HG2      PRO  55   1.508 -14.565   6.107
  364    HG3  PRO  55           HG1      PRO  55   1.526 -13.984   7.783
  365    HD2  PRO  55           HD2      PRO  55   1.052 -12.446   5.254
  366    HD3  PRO  55           HD1      PRO  55   0.206 -12.339   6.813
  367    H    ARG  56           HN       ARG  56   5.999 -12.382   6.823
  368    HA   ARG  56           HA       ARG  56   6.571  -9.943   5.505
  369    HB2  ARG  56           HB2      ARG  56   8.111 -11.055   7.114
  370    HB3  ARG  56           HB1      ARG  56   8.451 -12.267   5.883
  371    HG2  ARG  56           HG2      ARG  56   9.467 -10.668   4.459
  372    HG3  ARG  56           HG1      ARG  56   8.884  -9.325   5.439
  373    HD2  ARG  56           HD2      ARG  56  11.199  -9.611   5.914
  374    HD3  ARG  56           HD1      ARG  56  10.288 -10.184   7.309
  375    HE   ARG  56           HE       ARG  56  10.654 -12.483   6.262
  376   HH11  ARG  56          HH11      ARG  56  12.913  -9.821   5.872
  377   HH12  ARG  56          HH12      ARG  56  14.306 -10.856   5.829
  378   HH21  ARG  56          HH21      ARG  56  12.472 -13.832   6.153
  379   HH22  ARG  56          HH22      ARG  56  14.054 -13.142   5.977
  380    H    ASP  57           HN       ASP  57   5.954 -13.141   4.305
  381    HA   ASP  57           HA       ASP  57   7.252 -12.652   1.789
  382    HB2  ASP  57           HB2      ASP  57   6.475 -14.793   1.082
  383    HB3  ASP  57           HB1      ASP  57   6.999 -14.956   2.751
  384    H    ARG  58           HN       ARG  58   4.104 -12.188   3.145
  385    HA   ARG  58           HA       ARG  58   3.354 -10.553   0.926
  386    HB2  ARG  58           HB2      ARG  58   2.827 -13.081   0.352
  387    HB3  ARG  58           HB1      ARG  58   1.420 -12.781   1.369
  388    HG2  ARG  58           HG2      ARG  58   0.871 -10.838  -0.044
  389    HG3  ARG  58           HG1      ARG  58   2.218 -11.272  -1.096
  390    HD2  ARG  58           HD2      ARG  58   1.118 -13.521  -1.388
  391    HD3  ARG  58           HD1      ARG  58  -0.289 -12.853  -0.560
  392    HE   ARG  58           HE       ARG  58   0.607 -11.280  -2.801
  393   HH11  ARG  58          HH11      ARG  58  -1.501 -13.885  -1.757
  394   HH12  ARG  58          HH12      ARG  58  -2.474 -13.831  -3.203
  395   HH21  ARG  58          HH21      ARG  58  -0.654 -11.220  -4.673
  396   HH22  ARG  58          HH22      ARG  58  -1.984 -12.317  -4.870
  397    HA   PRO  59           HA       PRO  59   1.616  -8.968   4.820
  398    HB2  PRO  59           HB2      PRO  59   0.909  -6.603   3.453
  399    HB3  PRO  59           HB1      PRO  59   2.264  -6.830   4.551
  400    HG2  PRO  59           HG2      PRO  59   2.218  -6.681   1.647
  401    HG3  PRO  59           HG1      PRO  59   3.583  -6.495   2.751
  402    HD2  PRO  59           HD2      PRO  59   3.173  -8.669   1.099
  403    HD3  PRO  59           HD1      PRO  59   4.179  -8.675   2.557
  404    H    PHE  60           HN       PHE  60  -0.359  -9.672   5.326
  405    HA   PHE  60           HA       PHE  60  -2.509  -9.861   3.499
  406    HB2  PHE  60           HB2      PHE  60  -3.917 -10.227   5.517
  407    HB3  PHE  60           HB1      PHE  60  -2.521 -11.284   5.412
  408    HD1  PHE  60           HD1      PHE  60  -2.701  -7.764   6.578
  409    HD2  PHE  60           HD2      PHE  60  -2.091 -11.849   7.645
  410    HE1  PHE  60           HE1      PHE  60  -2.033  -7.063   8.842
  411    HE2  PHE  60           HE2      PHE  60  -1.415 -11.143   9.916
  412    HZ   PHE  60           HZ       PHE  60  -1.404  -8.786  10.527
  413    H    VAL  61           HN       VAL  61  -1.204  -7.167   5.078
  414    HA   VAL  61           HA       VAL  61  -3.555  -5.624   5.365
  415    HB   VAL  61           HB       VAL  61  -1.317  -5.050   6.372
  416   HG11  VAL  61          HG11      VAL  61   0.182  -3.644   4.966
  417   HG12  VAL  61          HG12      VAL  61  -0.735  -4.192   3.560
  418   HG13  VAL  61          HG13      VAL  61   0.148  -5.353   4.547
  419   HG21  VAL  61          HG21      VAL  61  -1.633  -2.623   6.144
  420   HG22  VAL  61          HG22      VAL  61  -3.159  -3.473   6.393
  421   HG23  VAL  61          HG23      VAL  61  -2.716  -2.910   4.780
  422    H    CYS  62           HN       CYS  62  -1.590  -6.572   2.746
  423    HA   CYS  62           HA       CYS  62  -2.904  -4.761   0.889
  424    HB2  CYS  62           HB2      CYS  62  -0.437  -5.111   0.795
  425    HB3  CYS  62           HB1      CYS  62  -0.702  -6.811   0.445
  426    H    ALA  63           HN       ALA  63  -3.732  -7.495   2.357
  427    HA   ALA  63           HA       ALA  63  -5.594  -8.312   0.327
  428    HB1  ALA  63           HB1      ALA  63  -3.526  -9.504  -0.379
  429    HB2  ALA  63           HB2      ALA  63  -4.862 -10.578   0.038
  430    HB3  ALA  63           HB3      ALA  63  -3.531 -10.341   1.178
  431    HA   PRO  64           HA       PRO  64  -6.546  -8.911   4.882
  432    HB2  PRO  64           HB2      PRO  64  -9.028  -7.465   4.277
  433    HB3  PRO  64           HB1      PRO  64  -7.800  -7.119   5.497
  434    HG2  PRO  64           HG2      PRO  64  -8.117  -5.569   3.319
  435    HG3  PRO  64           HG1      PRO  64  -6.526  -5.853   4.050
  436    HD2  PRO  64           HD2      PRO  64  -7.750  -7.119   1.622
  437    HD3  PRO  64           HD1      PRO  64  -6.089  -6.537   1.872
  438    H    SER  65           HN       SER  65  -9.445  -8.639   2.857
  439    HA   SER  65           HA       SER  65  -9.913 -11.461   2.814
  440    HB2  SER  65           HB2      SER  65 -12.057 -11.314   4.122
  441    HB3  SER  65           HB1      SER  65 -10.605 -11.088   5.096
  442    HG   SER  65           HG       SER  65 -11.767  -9.398   5.719
  443    H    SER  66           HN       SER  66 -11.703  -8.403   2.817
  444    HA   SER  66           HA       SER  66 -12.931  -7.322   1.248
  445    HB2  SER  66           HB2      SER  66 -11.007  -7.883  -0.278
  446    HB3  SER  66           HB1      SER  66 -11.887  -9.336  -0.755
  447    HG   SER  66           HG       SER  66 -13.585  -7.359  -0.992
  448    H    LYS  67           HN       LYS  67 -13.609 -10.081   2.551
  449    HA   LYS  67           HA       LYS  67 -15.804 -10.914   0.813
  450    HB2  LYS  67           HB2      LYS  67 -14.682 -12.165   3.328
  451    HB3  LYS  67           HB1      LYS  67 -15.929 -12.872   2.305
  452    HG2  LYS  67           HG2      LYS  67 -14.446 -13.247   0.545
  453    HG3  LYS  67           HG1      LYS  67 -13.253 -12.124   1.191
  454    HD2  LYS  67           HD2      LYS  67 -12.899 -13.684   3.091
  455    HD3  LYS  67           HD1      LYS  67 -13.993 -14.825   2.303
  456    HE2  LYS  67           HE2      LYS  67 -12.531 -14.989   0.396
  457    HE3  LYS  67           HE1      LYS  67 -11.486 -13.724   1.041
  458    HZ1  LYS  67           HZ1      LYS  67 -10.548 -15.898   1.425
  459    HZ2  LYS  67           HZ2      LYS  67 -11.937 -16.398   2.258
  460    HZ3  LYS  67           HZ3      LYS  67 -10.949 -15.176   2.901
  461    H    THR  68           HN       THR  68 -15.285  -8.765   3.206
  462    HA   THR  68           HA       THR  68 -18.031  -8.895   4.233
  463    HB   THR  68           HB       THR  68 -16.022  -6.867   5.160
  464    HG1  THR  68           HG1      THR  68 -14.828  -8.320   6.173
  465   HG21  THR  68          HG21      THR  68 -18.314  -6.824   6.046
  466   HG22  THR  68          HG22      THR  68 -17.144  -7.210   7.309
  467   HG23  THR  68          HG23      THR  68 -18.127  -8.489   6.598
  468    H    GLY  69           HN       GLY  69 -18.395  -6.107   4.690
  469    HA2  GLY  69           HA2      GLY  69 -19.033  -5.168   2.072
  470    HA3  GLY  69           HA1      GLY  69 -19.162  -4.247   3.564
  471    H    SER  70           HN       SER  70 -16.153  -5.199   3.762
  472    HA   SER  70           HA       SER  70 -15.058  -2.744   2.745
  473    HB2  SER  70           HB2      SER  70 -13.671  -5.059   4.094
  474    HB3  SER  70           HB1      SER  70 -13.018  -3.436   3.855
  475    HG   SER  70           HG       SER  70 -15.313  -3.077   5.033
  476    H    VAL  71           HN       VAL  71 -15.043  -2.763   0.544
  477    HA   VAL  71           HA       VAL  71 -13.623  -4.893  -0.837
  478    HB   VAL  71           HB       VAL  71 -14.269  -2.269  -2.133
  479   HG11  VAL  71          HG11      VAL  71 -14.172  -5.099  -3.145
  480   HG12  VAL  71          HG12      VAL  71 -12.936  -3.861  -3.366
  481   HG13  VAL  71          HG13      VAL  71 -14.519  -3.672  -4.122
  482   HG21  VAL  71          HG21      VAL  71 -16.257  -4.515  -1.754
  483   HG22  VAL  71          HG22      VAL  71 -16.501  -3.070  -2.734
  484   HG23  VAL  71          HG23      VAL  71 -16.340  -2.930  -0.984
  485    H    THR  72           HN       THR  72 -11.682  -4.745   0.242
  486    HA   THR  72           HA       THR  72 -10.205  -2.249   0.223
  487    HB   THR  72           HB       THR  72  -9.487  -4.977   1.301
  488    HG1  THR  72           HG1      THR  72  -9.935  -3.017   3.140
  489   HG21  THR  72          HG21      THR  72  -7.517  -3.579   0.822
  490   HG22  THR  72          HG22      THR  72  -7.742  -3.792   2.558
  491   HG23  THR  72          HG23      THR  72  -8.207  -2.275   1.788
  492    H    THR  73           HN       THR  73  -9.529  -1.845  -1.782
  493    HA   THR  73           HA       THR  73  -8.213  -3.959  -3.308
  494    HB   THR  73           HB       THR  73  -8.060  -2.138  -5.106
  495    HG1  THR  73           HG1      THR  73  -9.343  -0.758  -3.109
  496   HG21  THR  73          HG21      THR  73 -10.772  -3.124  -4.225
  497   HG22  THR  73          HG22      THR  73  -9.638  -3.968  -5.280
  498   HG23  THR  73          HG23      THR  73 -10.398  -2.470  -5.819
  499    H    THR  74           HN       THR  74  -6.017  -3.530  -4.118
  500    HA   THR  74           HA       THR  74  -4.548  -1.668  -2.406
  501    HB   THR  74           HB       THR  74  -2.959  -3.545  -1.795
  502    HG1  THR  74           HG1      THR  74  -4.029  -5.668  -1.841
  503   HG21  THR  74          HG21      THR  74  -4.422  -4.392   0.031
  504   HG22  THR  74          HG22      THR  74  -5.792  -3.613  -0.756
  505   HG23  THR  74          HG23      THR  74  -4.458  -2.639  -0.140
  506    H    TYR  75           HN       TYR  75  -2.737  -0.881  -3.346
  507    HA   TYR  75           HA       TYR  75  -1.740  -2.253  -5.751
  508    HB2  TYR  75           HB2      TYR  75  -2.710   0.014  -6.182
  509    HB3  TYR  75           HB1      TYR  75  -1.468   0.693  -5.133
  510    HD1  TYR  75           HD2      TYR  75  -1.297  -1.945  -7.773
  511    HD2  TYR  75           HD1      TYR  75   0.003   1.884  -6.463
  512    HE1  TYR  75           HE2      TYR  75   0.263  -1.829  -9.671
  513    HE2  TYR  75           HE1      TYR  75   1.564   2.012  -8.354
  514    HH   TYR  75           HH       TYR  75   2.692   0.626  -9.911
  515    H    CYS  76           HN       CYS  76  -0.164  -3.512  -4.833
  516    HA   CYS  76           HA       CYS  76   1.930  -2.085  -3.322
  517    HB2  CYS  76           HB2      CYS  76   1.269  -4.996  -2.893
  518    HB3  CYS  76           HB1      CYS  76   2.171  -3.904  -1.837
  519    H    CYS  77           HN       CYS  77   3.934  -2.210  -4.201
  520    HA   CYS  77           HA       CYS  77   4.611  -4.376  -5.994
  521    HB2  CYS  77           HB2      CYS  77   5.170  -2.591  -7.815
  522    HB3  CYS  77           HB1      CYS  77   3.522  -3.194  -7.668
  523    H    ASN  78           HN       ASN  78   6.868  -4.086  -6.867
  524    HA   ASN  78           HA       ASN  78   8.423  -3.153  -4.572
  525    HB2  ASN  78           HB2      ASN  78   9.134  -5.144  -6.728
  526    HB3  ASN  78           HB1      ASN  78  10.078  -4.797  -5.283
  527   HD21  ASN  78          HD21      ASN  78   9.337  -5.507  -3.274
  528   HD22  ASN  78          HD22      ASN  78   8.128  -6.741  -3.137
  529    H    GLN  79           HN       GLN  79   7.648  -1.845  -7.391
  530    HA   GLN  79           HA       GLN  79  10.322  -1.003  -8.187
  531    HB2  GLN  79           HB2      GLN  79   7.677  -0.139  -9.361
  532    HB3  GLN  79           HB1      GLN  79   9.269   0.082 -10.068
  533    HG2  GLN  79           HG2      GLN  79   8.554  -1.702 -11.276
  534    HG3  GLN  79           HG1      GLN  79   9.324  -2.549  -9.937
  535   HE21  GLN  79          HE21      GLN  79   6.331  -1.618 -11.400
  536   HE22  GLN  79          HE22      GLN  79   5.305  -2.698 -10.520
  537    H    ASP  80           HN       ASP  80  11.043   1.153  -8.083
  538    HA   ASP  80           HA       ASP  80  10.111   2.631  -5.850
  539    HB2  ASP  80           HB2      ASP  80  11.806   4.202  -6.297
  540    HB3  ASP  80           HB1      ASP  80  12.471   2.671  -6.849
  541    H    HIS  81           HN       HIS  81   8.833   4.375  -5.669
  542    HA   HIS  81           HA       HIS  81   7.261   5.941  -6.139
  543    HB2  HIS  81           HB2      HIS  81   8.684   5.943  -8.798
  544    HB3  HIS  81           HB1      HIS  81   7.345   7.030  -8.438
  545    HD1  HIS  81           HD1      HIS  81  10.963   6.537  -7.888
  546    HD2  HIS  81           HD2      HIS  81   7.917   8.962  -6.405
  547    HE1  HIS  81           HE1      HIS  81  12.115   8.415  -6.667
  548    HE2  HIS  81           HE2      HIS  81  10.256   9.806  -5.681
  549    H    CYS  82           HN       CYS  82   6.936   3.005  -6.833
  550    HA   CYS  82           HA       CYS  82   4.898   3.025  -8.875
  551    HB2  CYS  82           HB2      CYS  82   6.447   1.133  -8.675
  552    HB3  CYS  82           HB1      CYS  82   5.895   0.836  -7.033
  553    H    ASN  83           HN       ASN  83   3.550   4.610  -7.712
  554    HA   ASN  83           HA       ASN  83   1.772   3.225  -5.850
  555    HB2  ASN  83           HB2      ASN  83   1.713   5.118  -4.321
  556    HB3  ASN  83           HB1      ASN  83   3.359   4.527  -4.484
  557   HD21  ASN  83          HD21      ASN  83   4.896   5.793  -5.519
  558   HD22  ASN  83          HD22      ASN  83   4.638   7.475  -5.849
  559    H    LYS  84           HN       LYS  84  -0.298   3.550  -6.246
  560    HA   LYS  84           HA       LYS  84  -1.442   5.976  -7.118
  561    HB2  LYS  84           HB2      LYS  84  -2.208   5.311  -9.340
  562    HB3  LYS  84           HB1      LYS  84  -0.453   5.318  -9.287
  563    HG2  LYS  84           HG2      LYS  84  -0.510   2.853  -8.981
  564    HG3  LYS  84           HG1      LYS  84  -2.262   2.910  -9.196
  565    HD2  LYS  84           HD2      LYS  84  -1.945   3.881 -11.428
  566    HD3  LYS  84           HD1      LYS  84  -0.195   3.808 -11.209
  567    HE2  LYS  84           HE2      LYS  84  -0.894   1.931 -12.545
  568    HE3  LYS  84           HE1      LYS  84  -0.374   1.346 -10.967
  569    HZ1  LYS  84           HZ1      LYS  84  -2.466   0.337 -11.854
  570    HZ2  LYS  84           HZ2      LYS  84  -3.218   1.845 -11.653
  571    HZ3  LYS  84           HZ3      LYS  84  -2.607   1.008 -10.308
  572    H    ILE  85           HN       ILE  85  -3.845   5.492  -7.806
  573    HA   ILE  85           HA       ILE  85  -4.903   3.595  -5.889
  574    HB   ILE  85           HB       ILE  85  -6.139   5.661  -7.682
  575   HG12  ILE  85          HG12      ILE  85  -7.167   6.377  -5.518
  576   HG13  ILE  85          HG11      ILE  85  -6.284   5.087  -4.713
  577   HG21  ILE  85          HG21      ILE  85  -7.648   3.459  -6.282
  578   HG22  ILE  85          HG22      ILE  85  -7.586   3.774  -8.017
  579   HG23  ILE  85          HG23      ILE  85  -8.384   4.919  -6.942
  580   HD11  ILE  85          HD11      ILE  85  -5.200   7.247  -4.425
  581   HD12  ILE  85          HD12      ILE  85  -5.051   7.412  -6.174
  582   HD13  ILE  85          HD13      ILE  85  -4.175   6.131  -5.332
  583    H    GLU  86           HN       GLU  86  -5.532   1.588  -6.328
  584    HA   GLU  86           HA       GLU  86  -4.903   0.628  -8.987
  585    HB2  GLU  86           HB2      GLU  86  -3.977  -0.397  -6.867
  586    HB3  GLU  86           HB1      GLU  86  -5.590  -1.022  -6.559
  587    HG2  GLU  86           HG2      GLU  86  -3.890  -2.571  -7.664
  588    HG3  GLU  86           HG1      GLU  86  -5.505  -2.481  -8.369
  589    H    LEU  87           HN       LEU  87  -6.243  -1.251  -9.783
  590    HA   LEU  87           HA       LEU  87  -8.944  -0.223 -10.088
  591    HB2  LEU  87           HB2      LEU  87  -7.347  -2.338 -11.525
  592    HB3  LEU  87           HB1      LEU  87  -9.055  -2.097 -11.828
  593    HG   LEU  87           HG       LEU  87  -8.527   0.266 -12.498
  594   HD11  LEU  87          HD11      LEU  87  -5.683  -0.726 -12.360
  595   HD12  LEU  87          HD12      LEU  87  -6.397   0.551 -11.376
  596   HD13  LEU  87          HD13      LEU  87  -6.204   0.780 -13.114
  597   HD21  LEU  87          HD21      LEU  87  -8.883  -1.552 -14.109
  598   HD22  LEU  87          HD22      LEU  87  -7.153  -1.896 -14.085
  599   HD23  LEU  87          HD23      LEU  87  -7.737  -0.348 -14.697
  600    HA   PRO  88           HA       PRO  88 -10.812  -3.291  -7.497
  601    HB2  PRO  88           HB2      PRO  88 -13.217  -3.209  -9.137
  602    HB3  PRO  88           HB1      PRO  88 -12.958  -2.581  -7.510
  603    HG2  PRO  88           HG2      PRO  88 -13.317  -0.970  -9.656
  604    HG3  PRO  88           HG1      PRO  88 -12.317  -0.511  -8.265
  605    HD2  PRO  88           HD2      PRO  88 -11.467  -1.570 -10.939
  606    HD3  PRO  88           HD1      PRO  88 -10.761  -0.257  -9.970
  607    H    THR  89           HN       THR  89  -9.407  -4.173 -10.065
  608    HA   THR  89           HA       THR  89 -10.985  -6.435 -10.966
  609    HB   THR  89           HB       THR  89  -8.107  -5.910 -11.690
  610    HG1  THR  89           HG1      THR  89 -10.446  -4.509 -12.500
  611   HG21  THR  89          HG21      THR  89  -9.140  -7.979 -12.513
  612   HG22  THR  89          HG22      THR  89  -8.801  -6.870 -13.842
  613   HG23  THR  89          HG23      THR  89 -10.449  -7.043 -13.237
  614    H    THR  90           HN       THR  90  -9.154  -5.807  -8.339
  615    HA   THR  90           HA       THR  90  -8.680  -8.642  -7.836
  616    HB   THR  90           HB       THR  90  -6.507  -7.757  -8.583
  617    HG1  THR  90           HG1      THR  90  -6.169  -9.305  -7.104
  618   HG21  THR  90          HG21      THR  90  -6.821  -5.408  -7.967
  619   HG22  THR  90          HG22      THR  90  -5.329  -6.048  -7.282
  620   HG23  THR  90          HG23      THR  90  -6.750  -5.838  -6.257
  621    H    VAL  91           HN       VAL  91  -8.274  -8.999  -5.450
  622    HA   VAL  91           HA       VAL  91  -9.310  -8.959  -3.393
  623    HB   VAL  91           HB       VAL  91  -8.585  -6.966  -2.039
  624   HG11  VAL  91          HG11      VAL  91  -7.276  -9.015  -2.182
  625   HG12  VAL  91          HG12      VAL  91  -6.219  -7.603  -2.117
  626   HG13  VAL  91          HG13      VAL  91  -6.496  -8.429  -3.650
  627   HG21  VAL  91          HG21      VAL  91  -7.317  -6.180  -4.661
  628   HG22  VAL  91          HG22      VAL  91  -6.887  -5.498  -3.092
  629   HG23  VAL  91          HG23      VAL  91  -8.514  -5.262  -3.740
  630    HN1  NH2  92           HN1      NH2  92 -11.528  -8.915  -4.329