 
 Screen output (gelly own version)
 Geometry function summary
     term                           number     weight       rms        GooF      function     fn/numb
     ================================================================================================
     BOND bond lengths (angs)       4718       2.000      0.0104       0.530      2650.89       0.562
     ANGL bond angles (degs)        6406       2.000        1.27       0.792      8028.04       1.253
     TORS split-harmonic tors       1049       0.000       23.27       1.487         0.00       0.000
     SINTOR sinusoidal tors         1049       2.000       23.27                  3182.31       3.034
     TRIG.onal planes (angs)         110       2.000      0.0086       0.429        40.43       0.368
     PLAN general plane (angs)       666       5.000      0.0160       0.801      2136.00       3.207
     BCORrelations (angs*2)         4718      20.000       1.568       0.268      6757.40       1.432
     CONT (bad contacts)               0       5.000                                 0.00
     IDEAL(ideal-dist contact)      5101       4.000                             31556.30
     CHIRAL (gelly semiharmon)       584       5.000                                 8.89
     SIM similarity restraint for NCS and/or TARGET                              10985.41
     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                           2.99 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   135.32 degs B|155:C(TRP)=B|156:N(ASP)=B|156:CA(ASP)

 Weighted rms      0.0104         1.267  (temporary rms bond and angle for autobuster to pick up!)
 
 Bond length outliers, distances in Angstroms
      Actual       Ideal       Delta       Sigma Delta/Sigma
       1.668       1.506      -0.162       0.039      -4.166    A|187:CB=CG (PRO)
       1.585       1.524      -0.061       0.020      -3.041    A|187:CA=C (PRO)
       1.405       1.336      -0.069       0.023      -3.004    A|185:C(THR)=A|186:N(HIS)
 
 Bond angle outliers, angles in degrees
      Actual       Ideal       Delta       Sigma Delta/Sigma
     135.319     121.700     -13.619       2.500      -5.448    B|155:C(TRP)=B|156:N(ASP)=B|156:CA(ASP)
     133.599     121.700     -11.899       2.500      -4.760    A|85:C(ASN)=A|86:N(ASP)=A|86:CA(ASP)
      98.397     111.000      12.603       2.700       4.668    B|222:N=CA=C (PHE)
      98.442     111.000      12.558       2.700       4.651    A|186:N=CA=C (HIS)
      98.963     111.000      12.037       2.700       4.458    A|86:N=CA=C (ASP)
      99.155     111.000      11.845       2.700       4.387    B|218:N=CA=C (GLU)
     136.841     127.000      -9.841       2.400      -4.100    A|186:C(HIS)=A|187:N(PRO)=A|187:CA(PRO)
     128.146     117.100     -11.046       2.800      -3.945    A|186:CA(HIS)=A|186:C(HIS)=A|187:N(PRO)
     122.165     111.600     -10.565       2.700      -3.913    B|185:CB=CA=C (THR)
     124.293     115.300      -8.993       2.300      -3.910    B|215:CA=CB=CG (LEU)
     131.113     121.700      -9.413       2.500      -3.765    A|291:C(PHE)=A|292:N(ARG)=A|292:CA(ARG)
     130.954     121.700      -9.254       2.500      -3.701    B|291:C(PHE)=B|292:N(ARG)=B|292:CA(ARG)
     103.217     110.200       6.983       1.900       3.675    A|247:CB=CA=C (LEU)
     121.394     110.500     -10.894       3.000      -3.631    B|104:CD1=CG=CD2 (LEU)
     101.214     111.000       9.786       2.700       3.624    B|155:N=CA=C (TRP)
     120.707     111.000      -9.707       2.700      -3.595    B|186:N=CA=C (HIS)
     130.685     121.700      -8.985       2.500      -3.594    B|121:C(GLN)=B|122:N(LYS)=B|122:CA(LYS)
     130.624     121.700      -8.924       2.500      -3.570    B|265:C(LYS)=B|266:N(THR)=B|266:CA(THR)
     130.569     121.700      -8.869       2.500      -3.548    B|185:C(THR)=B|186:N(HIS)=B|186:CA(HIS)
     101.455     111.000       9.545       2.700       3.535    A|93:N=CA=C (LEU)
     114.401     121.100       6.699       1.900       3.526    A|186:O(HIS)=A|186:C(HIS)=A|187:N(PRO)
     120.324     111.000      -9.324       2.700      -3.453    B|86:N=CA=C (ASP)
     130.256     121.700      -8.556       2.500      -3.422    A|265:C(LYS)=A|266:N(THR)=A|266:CA(THR)
     120.176     111.000      -9.176       2.700      -3.399    A|239:N=CA=C (ASN)
     120.158     111.000      -9.158       2.700      -3.392    B|239:N=CA=C (ASN)
     120.073     111.000      -9.073       2.700      -3.361    A|147:N=CA=C (LYS)
     113.250     120.600       7.350       2.200       3.341    A|186:C(HIS)=A|187:N(PRO)=A|187:CD(PRO)
     118.651     111.700      -6.951       2.100      -3.310    A|87:CB=CA=C (PRO)
     120.588     113.400      -7.188       2.200      -3.267    B|178:CA=CB=CG (GLU)
     120.561     112.100      -8.461       2.600      -3.254    A|87:N=CA=C (PRO)
     116.454     110.600      -5.854       1.800      -3.252    A|9:N=CA=CB (ARG)
     119.729     111.000      -8.729       2.700      -3.233    B|122:N=CA=C (LYS)
     129.693     121.700      -7.993       2.500      -3.197    A|218:C(GLU)=A|219:N(THR)=A|219:CA(THR)
     116.349     110.600      -5.749       1.800      -3.194    B|89:N=CA=CB (GLU)
     116.328     110.300      -6.028       1.900      -3.173    A|154:N=CA=CB (THR)
     125.898     117.100      -8.798       2.800      -3.142    B|215:CA(LEU)=B|215:C(LEU)=B|216:N(PRO)
     102.555     111.000       8.445       2.700       3.128    B|223:N=CA=C (MET)
     104.163     110.400       6.237       2.000       3.118    B|178:CB=CA=C (GLU)
     122.446     115.300      -7.146       2.300      -3.107    B|247:CA=CB=CG (LEU)
     120.852     113.100      -7.752       2.500      -3.101    B|88:N=CA=C (GLY)
     134.418     127.000      -7.418       2.400      -3.091    B|186:C(HIS)=B|187:N(PRO)=B|187:CA(PRO)
     102.785     111.000       8.215       2.700       3.042    B|46:N=CA=C (TYR)
     104.209     112.100       7.891       2.600       3.035    A|216:N=CA=C (PRO)
     129.235     121.700      -7.535       2.500      -3.014    A|117:C(THR)=A|118:N(LEU)=A|118:CA(LEU)
 
 Torsion angles in degrees.
      Actual       Ideal       Delta       Sigma Delta/Sigma
       2.778      90.000      87.222      20.000       4.361    B|81:CA=CB=CG=CD1 (PHE)
       7.734      90.000      82.266      20.000       4.113    B|53:CA=CB=CG=CD1 (TRP)
       8.635      90.000      81.365      20.000       4.068    A|81:CA=CB=CG=CD1 (PHE)
       8.780      90.000      81.220      20.000       4.061    A|53:CA=CB=CG=CD1 (TRP)
     120.027     180.000      59.973      15.000       3.998    B|220:CA=CB=CG=SD (MET)
    -120.215    -180.000     -59.785      15.000      -3.986    B|60:N=CA=CB=CG (MET)
    -119.665     -60.000      59.665      15.000       3.978    A|60:N=CA=CB=CG (MET)
    -120.917    -180.000     -59.083      15.000      -3.939    A|220:N=CA=CB=CG (MET)
     118.461      60.000     -58.461      15.000      -3.897    A|122:CA=CB=CG=CD (LYS)
      12.396      90.000      77.604      20.000       3.880    A|139:CA=CB=CG=CD1 (TYR)
    -121.910    -180.000     -58.090      15.000      -3.873    B|247:CA=CB=CG=CD2 (LEU)
    -121.939    -180.000     -58.061      15.000      -3.871    B|58:N=CA=CB=CG (LEU)
    -117.938     -60.000      57.938      15.000       3.863    B|31:N=CA=CB=CG (LEU)
      12.926      90.000      77.074      20.000       3.854    B|139:CA=CB=CG=CD1 (TYR)
    -117.505     -60.000      57.505      15.000       3.834    B|208:N=CA=CB=CG (LEU)
    -122.541    -180.000     -57.459      15.000      -3.831    B|20:N=CA=CB=CG (LEU)
     117.382      60.000     -57.382      15.000      -3.825    B|289:CA=CB=CG=CD2 (LEU)
     117.382      60.000     -57.382      15.000      -3.825    A|289:CA=CB=CG=CD2 (LEU)
    -123.795    -180.000     -56.205      15.000      -3.747    B|287:N=CA=CB=SG (CYS)
     124.412     180.000      55.588      15.000       3.706    A|94:CA=CB=CG=CD (GLU)
     124.536     180.000      55.464      15.000       3.698    B|104:CA=CB=CG=CD2 (LEU)
    -115.437     -60.000      55.437      15.000       3.696    A|93:CA=CB=CG=CD2 (LEU)
    -124.725    -180.000     -55.275      15.000      -3.685    A|287:N=CA=CB=SG (CYS)
    -125.230    -180.000     -54.770      15.000      -3.651    A|31:N=CA=CB=CG (LEU)
    -126.511    -180.000     -53.489      15.000      -3.566    B|242:N=CA=CB=CG2 (THR)
    -127.408    -180.000     -52.592      15.000      -3.506    A|106:CA=CB=CG=CD (LYS)
    -127.598    -180.000     -52.402      15.000      -3.493    B|22:CG=CD=CE=NZ (LYS)
     127.858     180.000      52.142      15.000       3.476    A|16:CG=CD=CE=NZ (LYS)
       7.978      60.000      52.022      15.000       3.468    B|215:N=CA=CB=CG (LEU)
    -128.097    -180.000     -51.903      15.000      -3.460    A|275:CA=CB=CG=CD (ARG)
    -128.232    -180.000     -51.768      15.000      -3.451    A|58:N=CA=CB=CG (LEU)
    -128.267    -180.000     -51.733      15.000      -3.449    B|275:CA=CB=CG=CD (ARG)
     128.858     180.000      51.142      15.000       3.409    A|204:CA=CB=CG1=CD1 (ILE)
     110.954      60.000     -50.954      15.000      -3.397    B|154:N=CA=CB=CG2 (THR)
    -110.701     -60.000      50.701      15.000       3.380    A|206:CB=CG=CD=CE (LYS)
     129.355     180.000      50.645      15.000       3.376    A|22:CB=CG=CD=CE (LYS)
     129.355     180.000      50.645      15.000       3.376    A|111:CA=CB=CG=CD2 (LEU)
    -129.492    -180.000     -50.508      15.000      -3.367    A|122:N=CA=CB=CG (LYS)
    -110.500     -60.000      50.500      15.000       3.367    B|206:CB=CG=CD=CE (LYS)
    -129.807    -180.000     -50.193      15.000      -3.346    A|289:N=CA=CB=CG (LEU)
     129.852     180.000      50.148      15.000       3.343    B|111:CA=CB=CG=CD2 (LEU)
    -129.999    -180.000     -50.001      15.000      -3.333    B|289:N=CA=CB=CG (LEU)
    -130.189    -180.000     -49.811      15.000      -3.321    B|9:N=CA=CB=CG (ARG)
     131.954     180.000      48.046      15.000       3.203    B|223:CB=CG=SD=CE (MET)
     107.891      60.000     -47.891      15.000      -3.193    A|201:CG=CD=CE=NZ (LYS)
    -132.156    -180.000     -47.844      15.000      -3.190    A|12:N=CA=CB=CG (LEU)
     132.302     180.000      47.698      15.000       3.180    B|204:CA=CB=CG1=CD1 (ILE)
     107.590      60.000     -47.590      15.000      -3.173    B|201:CG=CD=CE=NZ (LYS)
    -132.471    -180.000     -47.529      15.000      -3.169    A|186:N=CA=CB=CG (HIS)
    -132.731    -180.000     -47.269      15.000      -3.151    B|260:N=CA=CB=CG (MET)
     106.715      60.000     -46.715      15.000      -3.114    B|217:CA=CB=CG=CD (GLU)
    -134.387    -180.000     -45.613      15.000      -3.041    A|230:N=CA=CB=CG (LYS)
    -105.595     -60.000      45.595      15.000       3.040    A|209:N=CA=CB=CG (GLU)
    -134.572    -180.000     -45.428      15.000      -3.029    A|7:N=CA=CB=CG2 (THR)
    -105.113     -60.000      45.113      15.000       3.008    A|184:CB=CG=CD=NE (ARG)
 
 PLAN plane outliers, r.m.s. devia from the plane in Angs (ideal zero)
      Actual       Sigma   Act/Sigma
       0.083       0.020       4.146    A|186:C=A|186:CA=A|186:O=A|187:N=A|187:CA=A|187:CD
 
 Ideal-contact distance outliers, distances in Angstroms
      Actual    ContactD       Delta       Sigma Delta/Sigma
       2.410       3.270       0.860       0.200       4.302    A|185:C(THR)=A|186:O(HIS)
       3.070       3.870       0.800       0.200       4.002    B|215:CB(LEU)=B|216:CA(PRO)
       2.442       3.190       0.748       0.200       3.742    A|186:O(HIS)=A|187:CD(PRO)
       2.785       3.520       0.735       0.200       3.677    B|184:CG=NH1 (ARG)
       2.863       3.590       0.727       0.200       3.635    A|111:CA=CD1 (LEU)
       2.871       3.590       0.719       0.200       3.597    B|111:CA=CD1 (LEU)
       2.722       3.440       0.718       0.200       3.590    B|222:O(PHE)=B|223:CB(MET)
       2.575       3.270       0.695       0.200       3.473    A|86:O(ASP)=A|87:C(PRO)
       2.748       3.440       0.692       0.200       3.460    A|93:O(LEU)=A|94:CB(GLU)
       3.175       3.860       0.685       0.200       3.423    A|87:CB(PRO)=A|247:CD2(LEU) symm: 1555=2675
       2.805       3.470       0.665       0.200       3.326    B|218:O(GLU)=B|219:CB(THR)
       2.876       3.540       0.664       0.200       3.318    B|122:CB=CE (LYS)
       3.197       3.860       0.663       0.200       3.314    A|215:CD2(LEU)=A|220:CG(MET)
       2.617       3.270       0.653       0.200       3.265    A|216:C(PRO)=A|217:O(GLU)
       3.228       3.880       0.652       0.200       3.258    A|58:CD1(LEU)=A|207:CG2(ILE)
       2.903       3.550       0.647       0.200       3.237    B|86:N(ASP)=B|87:CA(PRO)
       2.949       3.590       0.641       0.200       3.207    B|31:CA=CD2 (LEU)
       2.950       3.590       0.640       0.200       3.199    A|289:CA=CD1 (LEU)
       2.955       3.590       0.635       0.200       3.173    B|289:CA=CD1 (LEU)
       2.971       3.590       0.619       0.200       3.094    B|104:CA=CD1 (LEU)
       2.964       3.570       0.606       0.200       3.029    A|86:CA(ASP)=A|87:CD(PRO)
       2.435       3.040       0.605       0.200       3.023    A|185:O(THR)=A|186:O(HIS)
 

  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)
             4.64                A|7:C (THR)          
             4.58                A|156:N (ASP)        
             4.53                A|21:O (ILE)         
             4.51                B|156:N (ASP)        
             4.22                A|28:CG (LEU)        
             4.15                B|28:CG (LEU)        
             4.08                A|204:CD1 (ILE)      
             4.06                B|204:CD1 (ILE)      
             3.53                A|7:O (THR)          
             3.45                A|247:CB (LEU)       
             3.39                B|247:CB (LEU)       
             3.13                A|21:CG2 (ILE)       
             3.13                B|10:CG (PRO)        
             3.12                A|10:CD (PRO)        
             3.05                B|10:CD (PRO)        
             3.01                A|10:CG (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)        
            96.15                B|35:CG (GLN)        
            96.15                A|35:CG (GLN)        
            95.95                B|28:CD1 (LEU)       
            95.95                A|28:CD1 (LEU)       
            94.01                B|154:CG2 (THR)      
            94.01                A|154:CG2 (THR)      
            93.00                B|31:CD2 (LEU)       
            93.00                A|31:CD2 (LEU)       
            89.93                A|260:CG (MET)       
            89.93                B|260:CG (MET)       
            88.79                B|104:CD1 (LEU)      
            88.79                A|104:CD1 (LEU)      
            87.74                B|177:OE1 (GLN)      
            87.74                A|177:OE1 (GLN)      
            86.96                B|260:CE (MET)       
            86.96                A|260:CE (MET)       
            86.06                B|22:CG (LYS)        
            86.06                A|22:CG (LYS)        
            86.00                A|230:CE (LYS)       
            86.00                B|230:CE (LYS)       
            85.82                B|104:CD2 (LEU)      
            85.82                A|104:CD2 (LEU)      
            85.79                A|177:NE2 (GLN)      
            85.79                B|177:NE2 (GLN)      
            84.44                B|234:CD (LYS)       
            84.44                A|234:CD (LYS)       
            84.33                B|247:CD2 (LEU)      
            84.33                A|247:CD2 (LEU)      
            84.14                B|154:OG1 (THR)      
            84.14                A|154:OG1 (THR)      
            83.65                A|234:CG (LYS)       
            83.65                B|234:CG (LYS)       
            83.11                A|26:OE2 (GLU)       
            83.11                B|26:OE2 (GLU)       
            82.51                A|230:CD (LYS)       
            82.51                B|230:CD (LYS)       
            81.97                B|116:OE1 (GLN)      
            81.97                A|116:OE1 (GLN)      
            81.86                A|35:OE1 (GLN)       
            81.86                B|35:OE1 (GLN)       
            81.68                B|28:CD2 (LEU)       
            81.68                A|28:CD2 (LEU)       
            81.59                A|31:CD1 (LEU)       
            81.59                B|31:CD1 (LEU)       
            79.42                B|26:OE1 (GLU)       
            79.42                A|26:OE1 (GLU)       
            78.62                B|116:NE2 (GLN)      
            78.62                A|116:NE2 (GLN)      
            77.40                A|9:CG (ARG)         
            77.40                B|9:CG (ARG)         
            77.12                B|120:OD2 (ASP)      
            77.12                A|120:OD2 (ASP)      
            76.66                A|9:CD (ARG)         
            76.66                B|9:CD (ARG)         
            74.62                B|230:NZ (LYS)       
            74.62                A|230:NZ (LYS)       
            73.86                B|35:NE2 (GLN)       
            73.86                A|35:NE2 (GLN)       
            71.99                A|230:CG (LYS)       
            71.99                B|230:CG (LYS)       
            71.31                A|120:OD1 (ASP)      
            71.31                B|120:OD1 (ASP)      
            69.11                B|23:CE1 (TYR)       
            69.11                A|23:CE1 (TYR)       
            68.34                B|98:OD2 (ASP)       
            68.34                A|98:OD2 (ASP)       
            67.13                A|98:OD1 (ASP)       
            67.13                B|98:OD1 (ASP)       
            66.91                A|234:CE (LYS)       
            66.91                B|234:CE (LYS)       
            61.86                B|9:NE (ARG)         
            61.86                A|9:NE (ARG)         
            61.77                B|22:CD (LYS)        
            61.77                A|22:CD (LYS)        
            60.66                B|9:CZ (ARG)         
            60.66                A|9:CZ (ARG)         
  
 Atoms that make the largest contribution to overall function value. 
     Report the (function contribution)/(median contribution). Median=         9.583
        12.6     A|186:O(HIS)        
        10.5     A|186:C(HIS)        
         8.7     A|187:CD(PRO)       
         8.2     A|187:N(PRO)        
         8.0     A|86:CA(ASP)        
         8.0     A|186:CA(HIS)       
         7.6     A|10:C(PRO)         
         7.5     A|217:O(GLU)        
         7.3     B|215:CB(LEU)       
         7.2     A|185:C(THR)        
         7.1     A|187:CA(PRO)       
         6.9     B|155:C(TRP)        
         6.6     A|215:CD2(LEU)      
         6.6     A|86:N(ASP)         
         6.3     A|109:CA(LEU)       
         6.3     B|222:O(PHE)        
         6.3     B|10:C(PRO)         
         6.1     A|10:CA(PRO)        
         6.0     A|87:CA(PRO)        
         6.0     A|87:C(PRO)         
         6.0     B|186:CA(HIS)       
         6.0     A|86:O(ASP)         
         6.0     A|247:CD2(LEU)      
         6.0     A|186:N(HIS)        
         5.9     A|85:C(ASN)         
         5.7     A|87:CB(PRO)        
         5.7     B|187:CA(PRO)       
         5.4     A|86:OD1(ASP)       
         5.4     B|215:CA(LEU)       
         5.3     A|187:C(PRO)        
         5.3     B|10:CA(PRO)        
         5.3     A|93:O(LEU)         
         5.2     A|185:O(THR)        
         5.2     A|9:CA(ARG)         
         5.2     A|11:C(PRO)         
         5.1     A|11:CA(PRO)        
         5.0     B|109:CA(LEU)       
         4.9     B|184:CG(ARG)       
         4.9     B|12:CA(LEU)        
         4.9     A|94:CB(GLU)        
         4.8     B|186:C(HIS)        
         4.8     B|86:CA(ASP)        
         4.8     B|156:N(ASP)        
         4.7     B|216:CA(PRO)       
         4.7     B|104:CD1(LEU)      
         4.7     B|156:CA(ASP)       
         4.6     B|87:CA(PRO)        
         4.6     B|89:CA(GLU)        
         4.6     B|86:N(ASP)         
         4.6     A|58:CD1(LEU)       
         4.6     B|85:CA(ASN)        
         4.6     B|222:C(PHE)        
         4.5     B|90:CD(PRO)        
         4.5     B|122:CB(LYS)       
         4.5     A|207:CG2(ILE)      
         4.5     A|93:C(LEU)         
         4.5     B|223:CB(MET)       
         4.4     B|46:CA(TYR)        
         4.4     A|46:CA(TYR)        
         4.3     A|84:C(VAL)         
         4.3     A|11:N(PRO)         
         4.3     A|9:O(ARG)          
         4.3     A|247:CA(LEU)       
         4.2     A|89:CB(GLU)        
         4.2     A|90:CA(PRO)        
         4.2     B|155:CA(TRP)       
         4.1     B|101:CA(PRO)       
         4.1     A|90:C(PRO)         
         4.1     B|104:CA(LEU)       
         4.1     B|111:CA(LEU)       
         4.1     B|218:N(GLU)        
         4.1     A|216:C(PRO)        
         4.1     B|187:N(PRO)        
         4.1     A|86:C(ASP)         
         4.1     A|101:CA(PRO)       
         4.1     A|219:N(THR)        
         4.1     A|84:CA(VAL)        
         4.0     B|11:CA(PRO)        
         4.0     A|90:CG(PRO)        
         4.0     B|84:C(VAL)         
         4.0     A|111:CA(LEU)       
         4.0     B|122:N(LYS)        
         4.0     B|20:CA(LEU)        
         4.0     B|114:CA(LEU)       
         4.0     B|187:CD(PRO)       
         3.9     B|178:CB(GLU)       
         3.9     B|9:CA(ARG)         
         3.9     A|216:CD(PRO)       
         3.9     A|220:SD(MET)       
         3.9     B|219:CB(THR)       
         3.9     B|46:O(TYR)         
         3.9     B|90:C(PRO)         
         3.8     A|81:CA(PHE)        
         3.8     A|46:O(TYR)         
         3.8     A|152:O(PRO)        
         3.8     B|90:CA(PRO)        
         3.8     A|89:CG(GLU)        
         3.8     B|11:C(PRO)         
         3.8     A|114:CA(LEU)       
         3.8     B|152:O(PRO)        
 
 (maximum number of reports in this screen output set to     100)
 (delta/sigma cutoff in this screen output is set to     3.000)
