 
 Screen output (gelly own version)
 Geometry function summary
     term                           number     weight       rms        GooF      function     fn/numb
     ================================================================================================
     BOND bond lengths (angs)       4718       2.000      0.0105       0.533      2681.62       0.568
     ANGL bond angles (degs)        6406       2.000        1.27       0.791      8015.86       1.251
     TORS split-harmonic tors       1049       0.000       23.20       1.482         0.00       0.000
     SINTOR sinusoidal tors         1049       2.000       23.20                  3180.65       3.032
     TRIG.onal planes (angs)         110       2.000      0.0084       0.421        39.04       0.355
     PLAN general plane (angs)       666       5.000      0.0167       0.833      2311.52       3.471
     BCORrelations (angs*2)         4718      20.000       1.617       0.276      7184.34       1.523
     CONT (bad contacts)               0       5.000                                 0.00
     IDEAL(ideal-dist contact)      5117       4.000                             32128.43
     CHIRAL (gelly semiharmon)       584       5.000                                11.60
     SIM similarity restraint for NCS and/or TARGET                              12958.84
     OCCSUM restraint on sum of occupanies                                           0.00       as none defined
     DISTAN utility restraints interatomic distance                                  0.00       as none defined
     UTILANGLE utility angle restraints                                              0.00       as none defined
     UTILTOR utility restraints on torsion angles                                    0.00       as none defined
     Peptide omega torsion angles                           3.13 degs - monitor only
 
 WARNING: Have |delta/sigma| deviations > 5.0 sigma. Number of outliers for each term: 
 WARNING:         1 bond angles.  Worst is     5.4 sigs   135.13 degs B|155:C(TRP)=B|156:N(ASP)=B|156:CA(ASP)

 Weighted rms      0.0105         1.266  (temporary rms bond and angle for autobuster to pick up!)
 
 Bond length outliers, distances in Angstroms
      Actual       Ideal       Delta       Sigma Delta/Sigma
       1.684       1.506      -0.178       0.039      -4.574    A|187:CB=CG (PRO)
       1.593       1.524      -0.069       0.020      -3.436    A|187:CA=C (PRO)
 
 Bond angle outliers, angles in degrees
      Actual       Ideal       Delta       Sigma Delta/Sigma
     135.126     121.700     -13.426       2.500      -5.371    B|155:C(TRP)=B|156:N(ASP)=B|156:CA(ASP)
      98.127     111.000      12.873       2.700       4.768    B|222:N=CA=C (PHE)
      98.555     111.000      12.445       2.700       4.609    A|186:N=CA=C (HIS)
      98.825     111.000      12.175       2.700       4.509    A|86:N=CA=C (ASP)
     137.676     127.000     -10.676       2.400      -4.448    A|186:C(HIS)=A|187:N(PRO)=A|187:CA(PRO)
     132.771     121.700     -11.071       2.500      -4.428    B|185:C(THR)=B|186:N(HIS)=B|186:CA(HIS)
      99.082     111.000      11.918       2.700       4.414    B|218:N=CA=C (GLU)
     122.136     111.000     -11.136       2.700      -4.124    B|86:N=CA=C (ASP)
     131.850     121.700     -10.150       2.500      -4.060    A|85:C(ASN)=A|86:N(ASP)=A|86:CA(ASP)
     128.146     117.100     -11.046       2.800      -3.945    A|186:CA(HIS)=A|186:C(HIS)=A|187:N(PRO)
     128.013     117.100     -10.913       2.800      -3.897    B|215:CA(LEU)=B|215:C(LEU)=B|216:N(PRO)
     131.269     121.700      -9.569       2.500      -3.827    A|291:C(PHE)=A|292:N(ARG)=A|292:CA(ARG)
     100.735     111.000      10.265       2.700       3.802    A|93:N=CA=C (LEU)
     113.885     121.100       7.215       1.900       3.797    A|186:O(HIS)=A|186:C(HIS)=A|187:N(PRO)
     112.366     120.600       8.234       2.200       3.743    A|186:C(HIS)=A|187:N(PRO)=A|187:CD(PRO)
     130.938     121.700      -9.238       2.500      -3.695    B|291:C(PHE)=B|292:N(ARG)=B|292:CA(ARG)
     130.922     121.700      -9.222       2.500      -3.689    B|265:C(LYS)=B|266:N(THR)=B|266:CA(THR)
     101.044     111.000       9.956       2.700       3.687    B|155:N=CA=C (TRP)
     121.555     111.600      -9.955       2.700      -3.687    B|185:CB=CA=C (THR)
     130.562     121.700      -8.862       2.500      -3.545    A|265:C(LYS)=A|266:N(THR)=A|266:CA(THR)
     116.817     110.600      -6.217       1.800      -3.454    B|89:N=CA=CB (GLU)
     120.237     111.000      -9.237       2.700      -3.421    A|239:N=CA=C (ASN)
     130.214     121.700      -8.514       2.500      -3.406    B|121:C(GLN)=B|122:N(LYS)=B|122:CA(LYS)
     120.184     111.000      -9.184       2.700      -3.402    B|239:N=CA=C (ASN)
     120.152     111.000      -9.152       2.700      -3.389    B|122:N=CA=C (LYS)
     120.594     113.400      -7.194       2.200      -3.270    B|178:CA=CB=CG (GLU)
     119.745     111.000      -8.745       2.700      -3.239    A|147:N=CA=C (LYS)
     102.297     111.000       8.703       2.700       3.223    B|223:N=CA=C (MET)
     122.709     115.300      -7.409       2.300      -3.221    B|215:CA=CB=CG (LEU)
     104.048     110.400       6.352       2.000       3.176    B|178:CB=CA=C (GLU)
     120.005     110.500      -9.505       3.000      -3.168    B|104:CD1=CG=CD2 (LEU)
     118.320     111.700      -6.620       2.100      -3.153    A|87:CB=CA=C (PRO)
     129.556     121.700      -7.856       2.500      -3.142    A|218:C(GLU)=A|219:N(THR)=A|219:CA(THR)
     100.036     103.800       3.764       1.200       3.137    B|187:CG=CD=N (PRO)
     119.296     111.000      -8.296       2.700      -3.072    B|147:N=CA=C (LYS)
     116.002     110.200      -5.802       1.900      -3.054    B|215:CB=CA=C (LEU)
     116.098     110.300      -5.798       1.900      -3.052    A|154:N=CA=CB (THR)
     119.986     112.100      -7.886       2.600      -3.033    A|87:N=CA=C (PRO)
     118.741     113.600      -5.141       1.700      -3.024    A|186:CA=CB=CG (HIS)
     102.897     111.000       8.103       2.700       3.001    B|46:N=CA=C (TYR)
 
 Torsion angles in degrees.
      Actual       Ideal       Delta       Sigma Delta/Sigma
       2.656      90.000      87.344      20.000       4.367    B|81:CA=CB=CG=CD1 (PHE)
       8.063      90.000      81.937      20.000       4.097    B|53:CA=CB=CG=CD1 (TRP)
       9.093      90.000      80.907      20.000       4.045    A|53:CA=CB=CG=CD1 (TRP)
       9.266      90.000      80.734      20.000       4.037    A|81:CA=CB=CG=CD1 (PHE)
    -120.079    -180.000     -59.921      15.000      -3.995    A|60:N=CA=CB=CG (MET)
    -119.751     -60.000      59.751      15.000       3.983    A|220:N=CA=CB=CG (MET)
     119.217      60.000     -59.217      15.000      -3.948    B|220:CA=CB=CG=SD (MET)
    -120.828    -180.000     -59.172      15.000      -3.945    B|60:N=CA=CB=CG (MET)
     121.001     180.000      58.999      15.000       3.933    A|122:CA=CB=CG=CD (LYS)
      12.964      90.000      77.036      20.000       3.852    A|139:CA=CB=CG=CD1 (TYR)
     122.271     180.000      57.729      15.000       3.849    B|104:CA=CB=CG=CD2 (LEU)
    -117.478     -60.000      57.478      15.000       3.832    B|208:N=CA=CB=CG (LEU)
      13.633      90.000      76.367      20.000       3.818    B|139:CA=CB=CG=CD1 (TYR)
    -122.786    -180.000     -57.214      15.000      -3.814    A|230:N=CA=CB=CG (LYS)
    -122.812    -180.000     -57.188      15.000      -3.813    B|58:N=CA=CB=CG (LEU)
    -123.306    -180.000     -56.694      15.000      -3.780    B|20:N=CA=CB=CG (LEU)
    -123.954    -180.000     -56.046      15.000      -3.736    B|287:N=CA=CB=SG (CYS)
    -124.256    -180.000     -55.744      15.000      -3.716    A|287:N=CA=CB=SG (CYS)
     115.719      60.000     -55.719      15.000      -3.715    B|289:CA=CB=CG=CD2 (LEU)
     115.396      60.000     -55.396      15.000      -3.693    A|289:CA=CB=CG=CD2 (LEU)
     126.481     180.000      53.519      15.000       3.568    A|94:CA=CB=CG=CD (GLU)
    -126.497    -180.000     -53.503      15.000      -3.567    A|106:CA=CB=CG=CD (LYS)
    -126.773    -180.000     -53.227      15.000      -3.548    B|242:N=CA=CB=CG2 (THR)
    -113.157     -60.000      53.157      15.000       3.544    A|93:CA=CB=CG=CD2 (LEU)
     127.540     180.000      52.460      15.000       3.497    A|16:CG=CD=CE=NZ (LYS)
    -127.617    -180.000     -52.383      15.000      -3.492    B|247:CA=CB=CG=CD2 (LEU)
    -127.792    -180.000     -52.208      15.000      -3.481    B|9:N=CA=CB=CG (ARG)
     111.829      60.000     -51.829      15.000      -3.455    B|154:N=CA=CB=CG2 (THR)
    -128.401    -180.000     -51.599      15.000      -3.440    A|275:CA=CB=CG=CD (ARG)
    -128.580    -180.000     -51.420      15.000      -3.428    B|275:CA=CB=CG=CD (ARG)
    -128.659    -180.000     -51.341      15.000      -3.423    B|289:N=CA=CB=CG (LEU)
    -128.665    -180.000     -51.335      15.000      -3.422    A|289:N=CA=CB=CG (LEU)
       8.918      60.000      51.082      15.000       3.405    B|215:N=CA=CB=CG (LEU)
    -110.875     -60.000      50.875      15.000       3.392    B|31:N=CA=CB=CG (LEU)
     110.822      60.000     -50.822      15.000      -3.388    B|204:CA=CB=CG1=CD1 (ILE)
    -110.695     -60.000      50.695      15.000       3.380    A|206:CB=CG=CD=CE (LYS)
     129.467     180.000      50.533      15.000       3.369    A|111:CA=CB=CG=CD2 (LEU)
    -110.127     -60.000      50.127      15.000       3.342    B|206:CB=CG=CD=CE (LYS)
     130.130     180.000      49.870      15.000       3.325    B|111:CA=CB=CG=CD2 (LEU)
    -130.586    -180.000     -49.414      15.000      -3.294    A|58:N=CA=CB=CG (LEU)
    -131.207    -180.000     -48.793      15.000      -3.253    B|22:CG=CD=CE=NZ (LYS)
    -131.350    -180.000     -48.650      15.000      -3.243    A|122:N=CA=CB=CG (LYS)
    -131.507    -180.000     -48.493      15.000      -3.233    B|260:N=CA=CB=CG (MET)
    -108.269     -60.000      48.269      15.000       3.218    A|184:CB=CG=CD=NE (ARG)
    -131.803    -180.000     -48.197      15.000      -3.213    A|31:N=CA=CB=CG (LEU)
    -132.144    -180.000     -47.856      15.000      -3.190    A|186:N=CA=CB=CG (HIS)
     107.194      60.000     -47.194      15.000      -3.146    B|217:CA=CB=CG=CD (GLU)
    -132.840    -180.000     -47.160      15.000      -3.144    A|12:N=CA=CB=CG (LEU)
     -13.084     -60.000     -46.916      15.000      -3.128    B|12:CA=CB=CG=CD2 (LEU)
     133.117     180.000      46.883      15.000       3.126    B|223:CB=CG=SD=CE (MET)
     106.801      60.000     -46.801      15.000      -3.120    A|201:CG=CD=CE=NZ (LYS)
    -105.834     -60.000      45.834      15.000       3.056    B|181:N=CA=CB=CG (GLU)
    -134.222    -180.000     -45.778      15.000      -3.052    B|184:CB=CG=CD=NE (ARG)
    -105.531     -60.000      45.531      15.000       3.035    A|209:N=CA=CB=CG (GLU)
     105.469      60.000     -45.469      15.000      -3.031    B|201:CG=CD=CE=NZ (LYS)
    -134.854    -180.000     -45.146      15.000      -3.010    A|7:N=CA=CB=CG2 (THR)
 
 PLAN plane outliers, r.m.s. devia from the plane in Angs (ideal zero)
      Actual       Sigma   Act/Sigma
       0.081       0.020       4.065    A|186:C=A|186:CA=A|186:O=A|187:N=A|187:CA=A|187:CD
       0.063       0.020       3.141    B|186:C=B|186:CA=B|186:O=B|187:N=B|187:CA=B|187:CD
       0.062       0.020       3.076    A|86:C=A|86:CA=A|86:O=A|87:N=A|87:CA=A|87:CD
 
 Ideal-contact distance outliers, distances in Angstroms
      Actual    ContactD       Delta       Sigma Delta/Sigma
       2.392       3.270       0.878       0.200       4.388    A|185:C(THR)=A|186:O(HIS)
       3.056       3.870       0.814       0.200       4.072    B|215:CB(LEU)=B|216:CA(PRO)
       2.411       3.190       0.779       0.200       3.897    A|186:O(HIS)=A|187:CD(PRO)
       2.753       3.520       0.767       0.200       3.835    B|184:CG=NH1 (ARG)
       2.700       3.440       0.740       0.200       3.701    B|222:O(PHE)=B|223:CB(MET)
       2.850       3.590       0.740       0.200       3.698    A|111:CA=CD1 (LEU)
       2.851       3.590       0.739       0.200       3.693    B|111:CA=CD1 (LEU)
       2.834       3.570       0.736       0.200       3.679    B|18:CA(VAL)=B|19:CD(PRO)
       2.542       3.270       0.728       0.200       3.641    A|86:O(ASP)=A|87:C(PRO)
       2.830       3.540       0.710       0.200       3.552    B|122:CB=CE (LYS)
       2.731       3.440       0.709       0.200       3.546    A|93:O(LEU)=A|94:CB(GLU)
       3.160       3.860       0.700       0.200       3.499    A|87:CB(PRO)=A|247:CD2(LEU) symm: 1555=2675
       3.162       3.860       0.698       0.200       3.492    A|215:CD2(LEU)=A|220:CG(MET)
       2.788       3.470       0.682       0.200       3.411    B|218:O(GLU)=B|219:CB(THR)
       2.604       3.270       0.666       0.200       3.329    A|216:C(PRO)=A|217:O(GLU)
       3.220       3.880       0.660       0.200       3.302    A|58:CD1(LEU)=A|207:CG2(ILE)
       3.161       3.820       0.659       0.200       3.296    A|215:CD2(LEU)=A|220:SD(MET)
       2.936       3.590       0.654       0.200       3.272    A|289:CA=CD1 (LEU)
       2.903       3.550       0.647       0.200       3.234    B|86:N(ASP)=B|87:CA(PRO)
       2.943       3.590       0.647       0.200       3.234    B|289:CA=CD1 (LEU)
       2.396       3.040       0.644       0.200       3.219    A|185:O(THR)=A|186:O(HIS)
       2.954       3.590       0.636       0.200       3.178    B|12:CA=CD2 (LEU)
       2.941       3.570       0.629       0.200       3.143    A|86:CA(ASP)=A|87:CD(PRO)
       2.963       3.590       0.627       0.200       3.136    B|31:CA=CD2 (LEU)
       2.833       3.460       0.627       0.200       3.136    B|185:O=CG2 (THR)
       3.254       3.880       0.626       0.200       3.131    B|243:CG1(VAL)=B|247:CD1(LEU)
       2.964       3.590       0.626       0.200       3.128    A|31:CA=CD1 (LEU)
       2.980       3.590       0.610       0.200       3.051    B|104:CA=CD1 (LEU)
 

  Have      0 atom centres with inverted chirality and 
            9 atom centres with approaching-planar chirality
  
 LSSR restraints for NCS
    Atoms that are pulled the hardest by LSSR NCS restraints: 
    (Consider whether side chain or residue NCS partners could be close yet 
     distinct. If so you may want to prune this out from the relevant NCS set.) 
       LSSR_grad_norm/           atom
    avg(LSSR_grad_norm)
             4.46                A|156:N (ASP)        
             4.42                B|31:CG (LEU)        
             4.40                A|31:CG (LEU)        
             4.38                B|156:N (ASP)        
             4.23                A|21:O (ILE)         
             4.13                A|7:C (THR)          
             3.97                A|9:O (ARG)          
             3.95                A|247:CA (LEU)       
             3.94                B|204:CG1 (ILE)      
             3.91                B|9:O (ARG)          
             3.87                B|247:CA (LEU)       
             3.81                A|204:CG1 (ILE)      
             3.70                A|28:N (LEU)         
             3.60                B|61:CD1 (ILE)       
             3.59                A|61:CD1 (ILE)       
             3.54                B|28:N (LEU)         
             3.27                A|204:CG2 (ILE)      
             3.23                B|247:CG (LEU)       
             3.20                B|204:CG2 (ILE)      
             3.09                A|247:CG (LEU)       
             3.05                A|80:O (PRO)         
             3.03                B|80:O (PRO)         
 LSSR restraints for NCS
    Atoms with the highest function contribution.
    (Shows atoms with most different local environment between related copies)
       %_max_LSSR_NCS_funct          atom
           100.00                B|23:OH (TYR)        
           100.00                A|23:OH (TYR)        
            97.00                B|28:CD1 (LEU)       
            97.00                A|28:CD1 (LEU)       
            95.38                A|35:CG (GLN)        
            95.38                B|35:CG (GLN)        
            93.85                B|154:CG2 (THR)      
            93.85                A|154:CG2 (THR)      
            90.70                A|31:CD2 (LEU)       
            90.70                B|31:CD2 (LEU)       
            90.19                B|247:CD2 (LEU)      
            90.19                A|247:CD2 (LEU)      
            89.21                A|260:CG (MET)       
            89.21                B|260:CG (MET)       
            89.01                B|104:CD1 (LEU)      
            89.01                A|104:CD1 (LEU)      
            87.96                A|230:CE (LYS)       
            87.96                B|230:CE (LYS)       
            87.74                A|177:OE1 (GLN)      
            87.74                B|177:OE1 (GLN)      
            87.67                B|260:CE (MET)       
            87.67                A|260:CE (MET)       
            86.00                B|104:CD2 (LEU)      
            86.00                A|104:CD2 (LEU)      
            85.86                B|177:NE2 (GLN)      
            85.86                A|177:NE2 (GLN)      
            85.75                B|234:CG (LYS)       
            85.75                A|234:CG (LYS)       
            85.65                B|35:OE1 (GLN)       
            85.65                A|35:OE1 (GLN)       
            85.62                A|31:CD1 (LEU)       
            85.62                B|31:CD1 (LEU)       
            85.52                B|234:CD (LYS)       
            85.52                A|234:CD (LYS)       
            85.48                A|116:OE1 (GLN)      
            85.48                B|116:OE1 (GLN)      
            85.37                A|22:CG (LYS)        
            85.37                B|22:CG (LYS)        
            85.23                A|120:OD2 (ASP)      
            85.23                B|120:OD2 (ASP)      
            83.65                B|154:OG1 (THR)      
            83.65                A|154:OG1 (THR)      
            83.37                B|230:CD (LYS)       
            83.37                A|230:CD (LYS)       
            83.02                B|116:NE2 (GLN)      
            83.02                A|116:NE2 (GLN)      
            82.80                A|26:OE2 (GLU)       
            82.80                B|26:OE2 (GLU)       
            81.88                B|28:CD2 (LEU)       
            81.88                A|28:CD2 (LEU)       
            81.61                B|120:OD1 (ASP)      
            81.61                A|120:OD1 (ASP)      
            80.78                A|247:CB (LEU)       
            80.78                B|247:CB (LEU)       
            79.61                A|26:OE1 (GLU)       
            79.61                B|26:OE1 (GLU)       
            78.97                A|230:NZ (LYS)       
            78.97                B|230:NZ (LYS)       
            77.00                A|230:CG (LYS)       
            77.00                B|230:CG (LYS)       
            76.18                B|98:OD2 (ASP)       
            76.18                A|98:OD2 (ASP)       
            75.82                A|9:CG (ARG)         
            75.82                B|9:CG (ARG)         
            74.19                A|35:NE2 (GLN)       
            74.19                B|35:NE2 (GLN)       
            74.03                A|9:CD (ARG)         
            74.03                B|9:CD (ARG)         
            71.94                A|98:OD1 (ASP)       
            71.94                B|98:OD1 (ASP)       
            71.49                B|22:CD (LYS)        
            71.49                A|22:CD (LYS)        
            70.56                A|28:CG (LEU)        
            70.56                B|28:CG (LEU)        
            70.56                A|247:CD1 (LEU)      
            70.56                B|247:CD1 (LEU)      
            69.14                B|9:NE (ARG)         
            69.14                A|9:NE (ARG)         
            69.10                B|23:CE1 (TYR)       
            69.10                A|23:CE1 (TYR)       
            68.51                B|234:CE (LYS)       
            68.51                A|234:CE (LYS)       
            66.88                B|98:CG (ASP)        
            66.88                A|98:CG (ASP)        
            64.46                A|9:CZ (ARG)         
            64.46                B|9:CZ (ARG)         
            62.32                A|10:CG (PRO)        
            62.32                B|10:CG (PRO)        
  
 Atoms that make the largest contribution to overall function value. 
     Report the (function contribution)/(median contribution). Median=         9.780
        13.0     A|186:O(HIS)        
        11.3     A|186:C(HIS)        
         9.1     A|187:CD(PRO)       
         8.8     A|217:O(GLU)        
         8.6     A|187:N(PRO)        
         8.0     A|186:CA(HIS)       
         7.9     A|86:CA(ASP)        
         7.5     A|187:CA(PRO)       
         7.4     A|215:CD2(LEU)      
         7.4     A|185:C(THR)        
         7.2     B|215:CB(LEU)       
         7.2     B|155:C(TRP)        
         7.1     B|186:CA(HIS)       
         6.9     B|215:CA(LEU)       
         6.8     A|86:O(ASP)         
         6.7     B|86:CA(ASP)        
         6.6     A|10:C(PRO)         
         6.4     B|222:O(PHE)        
         6.3     B|10:C(PRO)         
         6.3     A|109:CA(LEU)       
         6.2     A|87:C(PRO)         
         6.2     A|86:N(ASP)         
         6.0     A|185:O(THR)        
         5.9     A|186:N(HIS)        
         5.9     A|247:CD2(LEU)      
         5.9     A|87:CB(PRO)        
         5.8     A|86:OD1(ASP)       
         5.8     A|85:C(ASN)         
         5.8     A|187:C(PRO)        
         5.7     A|87:CA(PRO)        
         5.7     B|187:CA(PRO)       
         5.6     A|10:CA(PRO)        
         5.6     A|89:CG(GLU)        
         5.5     A|94:CB(GLU)        
         5.4     A|93:O(LEU)         
         5.3     A|11:C(PRO)         
         5.3     B|184:CG(ARG)       
         5.2     B|10:CA(PRO)        
         5.2     B|86:C(ASP)         
         5.1     B|86:N(ASP)         
         5.1     B|186:C(HIS)        
         5.0     B|12:CA(LEU)        
         5.0     B|89:CA(GLU)        
         5.0     A|11:CA(PRO)        
         5.0     B|109:CA(LEU)       
         4.9     A|89:CB(GLU)        
         4.9     B|122:CB(LYS)       
         4.8     A|86:C(ASP)         
         4.8     B|156:N(ASP)        
         4.8     B|87:CA(PRO)        
         4.7     A|9:CA(ARG)         
         4.7     A|90:CG(PRO)        
         4.7     B|222:C(PHE)        
         4.7     B|156:CA(ASP)       
         4.7     B|216:CA(PRO)       
         4.7     B|223:CB(MET)       
         4.6     A|93:C(LEU)         
         4.6     B|187:CD(PRO)       
         4.6     B|187:N(PRO)        
         4.6     A|207:CG2(ILE)      
         4.5     B|9:CA(ARG)         
         4.5     B|104:CD1(LEU)      
         4.5     A|90:CA(PRO)        
         4.4     A|58:CD1(LEU)       
         4.4     B|215:C(LEU)        
         4.4     A|219:N(THR)        
         4.4     B|90:C(PRO)         
         4.3     B|19:CD(PRO)        
         4.3     B|90:CA(PRO)        
         4.3     B|85:CA(ASN)        
         4.3     B|46:CA(TYR)        
         4.3     A|46:CA(TYR)        
         4.3     B|90:CD(PRO)        
         4.3     A|216:C(PRO)        
         4.3     B|18:CA(VAL)        
         4.2     B|155:CA(TRP)       
         4.2     A|90:O(PRO)         
         4.2     B|101:CA(PRO)       
         4.1     B|104:CA(LEU)       
         4.1     A|247:CA(LEU)       
         4.1     B|218:N(GLU)        
         4.1     B|111:CA(LEU)       
         4.1     A|11:N(PRO)         
         4.0     B|84:C(VAL)         
         4.0     B|9:O(ARG)          
         4.0     A|111:CA(LEU)       
         4.0     A|90:C(PRO)         
         4.0     B|178:CB(GLU)       
         4.0     A|216:CD(PRO)       
         4.0     B|243:CG1(VAL)      
         4.0     A|101:CA(PRO)       
         4.0     B|219:CB(THR)       
         3.9     A|84:C(VAL)         
         3.9     B|218:O(GLU)        
         3.9     B|185:O(THR)        
         3.9     B|114:CA(LEU)       
         3.9     A|220:SD(MET)       
         3.9     B|46:O(TYR)         
         3.9     B|11:CA(PRO)        
         3.8     A|9:O(ARG)          
 
 (maximum number of reports in this screen output set to     100)
 (delta/sigma cutoff in this screen output is set to     3.000)
