 
 Screen output (gelly own version)
 Geometry function summary
     term                           number     weight       rms        GooF      function     fn/numb
     ================================================================================================
     BOND bond lengths (angs)       4718       2.000      0.0106       0.541      2766.08       0.586
     ANGL bond angles (degs)        6406       2.000        1.29       0.803      8271.51       1.291
     TORS split-harmonic tors       1049       0.000       23.19       1.482         0.00       0.000
     SINTOR sinusoidal tors         1049       2.000       23.19                  3175.99       3.028
     TRIG.onal planes (angs)         110       2.000      0.0089       0.445        43.48       0.395
     PLAN general plane (angs)       666       5.000      0.0168       0.838      2339.51       3.513
     BCORrelations (angs*2)         4718      20.000       1.602       0.273      7054.49       1.495
     CONT (bad contacts)               0       5.000                                 0.00
     IDEAL(ideal-dist contact)      5133       4.000                             32764.33
     CHIRAL (gelly semiharmon)       584       5.000                                14.40
     SIM similarity restraint for NCS and/or TARGET                               5999.13
     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                           3.11 degs - monitor only
 
 WARNING: Have |delta/sigma| deviations > 5.0 sigma. Number of outliers for each term: 
 WARNING:         5 bond angles.  Worst is     6.2 sigs    94.25 degs A|186:N=CA=C (HIS)

 Weighted rms      0.0106         1.286  (temporary rms bond and angle for autobuster to pick up!)
 
 Bond length outliers, distances in Angstroms
      Actual       Ideal       Delta       Sigma Delta/Sigma
       1.687       1.506      -0.181       0.039      -4.648    A|187:CB=CG (PRO)
       1.591       1.524      -0.067       0.020      -3.367    A|187:CA=C (PRO)
       1.412       1.336      -0.076       0.023      -3.302    A|185:C(THR)=A|186:N(HIS)
 
 Bond angle outliers, angles in degrees
      Actual       Ideal       Delta       Sigma Delta/Sigma
      94.251     111.000      16.749       2.700       6.203    A|186:N=CA=C (HIS)
     135.462     121.700     -13.762       2.500      -5.505    A|85:C(ASN)=A|86:N(ASP)=A|86:CA(ASP)
     135.201     121.700     -13.501       2.500      -5.400    B|155:C(TRP)=B|156:N(ASP)=B|156:CA(ASP)
      97.310     111.000      13.690       2.700       5.071    B|218:N=CA=C (GLU)
      97.335     111.000      13.665       2.700       5.061    B|222:N=CA=C (PHE)
      98.239     111.000      12.761       2.700       4.726    A|86:N=CA=C (ASP)
     133.420     121.700     -11.720       2.500      -4.688    B|185:C(THR)=B|186:N(HIS)=B|186:CA(HIS)
     129.908     117.100     -12.808       2.800      -4.574    A|186:CA(HIS)=A|186:C(HIS)=A|187:N(PRO)
     129.687     117.100     -12.587       2.800      -4.495    B|215:CA(LEU)=B|215:C(LEU)=B|216:N(PRO)
     112.872     121.100       8.228       1.900       4.330    A|186:O(HIS)=A|186:C(HIS)=A|187:N(PRO)
     125.376     119.300      -6.076       1.500      -4.051    B|186:C(HIS)=B|187:N(PRO)=B|187:CA(PRO)
     131.610     121.700      -9.910       2.500      -3.964    B|121:C(GLN)=B|122:N(LYS)=B|122:CA(LYS)
     121.573     111.000     -10.573       2.700      -3.916    B|86:N=CA=C (ASP)
     100.665     111.000      10.335       2.700       3.828    B|155:N=CA=C (TRP)
     136.156     127.000      -9.156       2.400      -3.815    A|186:C(HIS)=A|187:N(PRO)=A|187:CA(PRO)
     131.133     121.700      -9.433       2.500      -3.773    A|291:C(PHE)=A|292:N(ARG)=A|292:CA(ARG)
     131.064     121.700      -9.364       2.500      -3.746    B|291:C(PHE)=B|292:N(ARG)=B|292:CA(ARG)
     120.638     111.000      -9.638       2.700      -3.570    B|122:N=CA=C (LYS)
     121.369     112.100      -9.269       2.600      -3.565    A|87:N=CA=C (PRO)
     121.951     113.100      -8.851       2.500      -3.540    B|88:N=CA=C (GLY)
     130.550     121.700      -8.850       2.500      -3.540    B|265:C(LYS)=B|266:N(THR)=B|266:CA(THR)
     116.905     110.200      -6.705       1.900      -3.529    B|215:CB=CA=C (LEU)
     101.543     111.000       9.457       2.700       3.503    A|93:N=CA=C (LEU)
     120.672     110.500     -10.172       3.000      -3.391    B|104:CD1=CG=CD2 (LEU)
     120.110     111.000      -9.110       2.700      -3.374    A|147:N=CA=C (LYS)
     116.670     110.600      -6.070       1.800      -3.372    A|9:N=CA=CB (ARG)
     130.069     121.700      -8.369       2.500      -3.347    A|265:C(LYS)=A|266:N(THR)=A|266:CA(THR)
     120.743     113.400      -7.343       2.200      -3.338    B|178:CA=CB=CG (GLU)
     119.929     111.000      -8.929       2.700      -3.307    B|239:N=CA=C (ASN)
     113.353     120.600       7.247       2.200       3.294    A|186:C(HIS)=A|187:N(PRO)=A|187:CD(PRO)
     119.865     111.000      -8.865       2.700      -3.283    A|239:N=CA=C (ASN)
     103.675     112.100       8.425       2.600       3.240    A|216:N=CA=C (PRO)
     126.118     117.100      -9.018       2.800      -3.221    B|9:CA(ARG)=B|9:C(ARG)=B|10:N(PRO)
     116.817     110.400      -6.417       2.000      -3.208    B|217:CB=CA=C (GLU)
     122.632     115.300      -7.332       2.300      -3.188    B|215:CA=CB=CG (LEU)
     119.592     111.000      -8.592       2.700      -3.182    B|147:N=CA=C (LYS)
     118.915     113.600      -5.315       1.700      -3.126    A|186:CA=CB=CG (HIS)
     129.502     121.700      -7.802       2.500      -3.121    A|218:C(GLU)=A|219:N(THR)=A|219:CA(THR)
     116.226     110.300      -5.926       1.900      -3.119    A|154:N=CA=CB (THR)
     113.551     120.100       6.549       2.100       3.119    B|215:CA=C=O (LEU)
     129.423     121.700      -7.723       2.500      -3.089    A|155:C(TRP)=A|156:N(ASP)=A|156:CA(ASP)
     120.187     113.400      -6.787       2.200      -3.085    B|89:CA=CB=CG (GLU)
     104.237     110.400       6.163       2.000       3.082    B|178:CB=CA=C (GLU)
     116.483     110.400      -6.083       2.000      -3.041    B|146:CB=CA=C (GLU)
     102.864     111.000       8.136       2.700       3.013    B|46:N=CA=C (TYR)
     100.191     103.800       3.609       1.200       3.007    A|187:CG=CD=N (PRO)
     118.115     111.800      -6.315       2.100      -3.007    B|184:CG=CD=NE (ARG)
 
 Torsion angles in degrees.
      Actual       Ideal       Delta       Sigma Delta/Sigma
       2.839      90.000      87.161      20.000       4.358    B|81:CA=CB=CG=CD1 (PHE)
       8.568      90.000      81.432      20.000       4.072    B|53:CA=CB=CG=CD1 (TRP)
       8.741      90.000      81.259      20.000       4.063    A|81:CA=CB=CG=CD1 (PHE)
       9.253      90.000      80.747      20.000       4.037    A|53:CA=CB=CG=CD1 (TRP)
     120.161     180.000      59.839      15.000       3.989    B|220:CA=CB=CG=SD (MET)
     118.889      60.000     -58.889      15.000      -3.926    B|217:CA=CB=CG=CD (GLU)
      12.257      90.000      77.743      20.000       3.887    A|139:CA=CB=CG=CD1 (TYR)
    -121.924    -180.000     -58.076      15.000      -3.872    A|60:N=CA=CB=CG (MET)
      12.713      90.000      77.287      20.000       3.864    B|139:CA=CB=CG=CD1 (TYR)
    -117.931     -60.000      57.931      15.000       3.862    A|220:N=CA=CB=CG (MET)
    -117.553     -60.000      57.553      15.000       3.837    A|230:N=CA=CB=CG (LYS)
       2.662      60.000      57.338      15.000       3.823    B|12:CA=CB=CG=CD2 (LEU)
    -122.715    -180.000     -57.285      15.000      -3.819    B|60:N=CA=CB=CG (MET)
    -123.017    -180.000     -56.983      15.000      -3.799    B|287:N=CA=CB=SG (CYS)
    -123.677    -180.000     -56.323      15.000      -3.755    B|208:N=CA=CB=CG (LEU)
    -124.065    -180.000     -55.935      15.000      -3.729    A|287:N=CA=CB=SG (CYS)
     124.220     180.000      55.780      15.000       3.719    B|104:CA=CB=CG=CD2 (LEU)
    -124.315    -180.000     -55.685      15.000      -3.712    B|22:CG=CD=CE=NZ (LYS)
    -124.730    -180.000     -55.270      15.000      -3.685    A|106:CA=CB=CG=CD (LYS)
     125.010     180.000      54.990      15.000       3.666    A|122:CA=CB=CG=CD (LYS)
     114.388      60.000     -54.388      15.000      -3.626    B|289:CA=CB=CG=CD2 (LEU)
     114.175      60.000     -54.175      15.000      -3.612    A|289:CA=CB=CG=CD2 (LEU)
    -113.716     -60.000      53.716      15.000       3.581    A|206:CB=CG=CD=CE (LYS)
    -126.502    -180.000     -53.498      15.000      -3.567    B|184:CB=CG=CD=NE (ARG)
    -113.245     -60.000      53.245      15.000       3.550    A|93:CA=CB=CG=CD2 (LEU)
    -126.951    -180.000     -53.049      15.000      -3.537    A|289:N=CA=CB=CG (LEU)
    -127.175    -180.000     -52.825      15.000      -3.522    B|242:N=CA=CB=CG2 (THR)
    -127.199    -180.000     -52.801      15.000      -3.520    B|289:N=CA=CB=CG (LEU)
    -112.770     -60.000      52.770      15.000       3.518    B|206:CB=CG=CD=CE (LYS)
     112.234      60.000     -52.234      15.000      -3.482    B|154:N=CA=CB=CG2 (THR)
    -128.413    -180.000     -51.587      15.000      -3.439    B|9:N=CA=CB=CG (ARG)
     128.960     180.000      51.040      15.000       3.403    A|111:CA=CB=CG=CD2 (LEU)
     128.961     180.000      51.039      15.000       3.403    A|94:CA=CB=CG=CD (GLU)
     129.383     180.000      50.617      15.000       3.374    A|16:CG=CD=CE=NZ (LYS)
     129.648     180.000      50.352      15.000       3.357    B|111:CA=CB=CG=CD2 (LEU)
    -130.039    -180.000     -49.961      15.000      -3.331    B|20:N=CA=CB=CG (LEU)
    -130.072    -180.000     -49.928      15.000      -3.329    A|275:CA=CB=CG=CD (ARG)
    -130.343    -180.000     -49.657      15.000      -3.310    B|275:CA=CB=CG=CD (ARG)
    -109.398     -60.000      49.398      15.000       3.293    A|184:CB=CG=CD=NE (ARG)
    -131.418    -180.000     -48.582      15.000      -3.239    A|12:N=CA=CB=CG (LEU)
    -108.392     -60.000      48.392      15.000       3.226    B|181:N=CA=CB=CG (GLU)
      11.675      60.000      48.325      15.000       3.222    B|215:N=CA=CB=CG (LEU)
    -132.414    -180.000     -47.586      15.000      -3.172    A|186:N=CA=CB=CG (HIS)
    -132.426    -180.000     -47.574      15.000      -3.172    B|58:N=CA=CB=CG (LEU)
    -107.412     -60.000      47.412      15.000       3.161    B|31:N=CA=CB=CG (LEU)
     106.974      60.000     -46.974      15.000      -3.132    A|234:CG=CD=CE=NZ (LYS)
    -133.038    -180.000     -46.962      15.000      -3.131    B|260:N=CA=CB=CG (MET)
    -133.405    -180.000     -46.595      15.000      -3.106    A|184:N=CA=CB=CG (ARG)
    -134.008    -180.000     -45.992      15.000      -3.066    B|247:CA=CB=CG=CD2 (LEU)
     134.020     180.000      45.980      15.000       3.065    A|204:CA=CB=CG1=CD1 (ILE)
    -134.251    -180.000     -45.749      15.000      -3.050    A|122:N=CA=CB=CG (LYS)
     134.350     180.000      45.650      15.000       3.043    B|217:N=CA=CB=CG (GLU)
    -150.705     -90.000      60.705      20.000       3.035    A|186:CA=CB=CG=ND1 (HIS)
 
 PLAN plane outliers, r.m.s. devia from the plane in Angs (ideal zero)
      Actual       Sigma   Act/Sigma
       0.096       0.020       4.822    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
       2.319       3.270       0.951       0.200       4.754    A|185:C(THR)=A|186:O(HIS)
       2.992       3.860       0.868       0.200       4.342    A|87:CB(PRO)=A|247:CD2(LEU) symm: 1555=2675
       2.640       3.440       0.800       0.200       3.998    B|222:O(PHE)=B|223:CB(MET)
       2.724       3.520       0.796       0.200       3.981    B|184:CG=NH1 (ARG)
       3.089       3.880       0.791       0.200       3.953    B|243:CG1(VAL)=B|247:CD1(LEU)
       2.401       3.190       0.789       0.200       3.944    A|186:O(HIS)=A|187:CD(PRO)
       3.084       3.860       0.776       0.200       3.882    A|215:CD2(LEU)=A|220:CG(MET)
       3.102       3.870       0.768       0.200       3.840    B|215:CB(LEU)=B|216:CA(PRO)
       2.850       3.590       0.740       0.200       3.702    B|111:CA=CD1 (LEU)
       2.851       3.590       0.739       0.200       3.696    A|111:CA=CD1 (LEU)
       2.748       3.460       0.712       0.200       3.562    B|185:O=CG2 (THR)
       3.133       3.840       0.707       0.200       3.534    A|89:CG(GLU)=A|90:CG(PRO) symm: 1555=2675
       2.833       3.540       0.707       0.200       3.533    B|122:CB=CE (LYS)
       2.844       3.550       0.706       0.200       3.531    B|86:N(ASP)=B|87:CA(PRO)
       2.734       3.440       0.706       0.200       3.530    A|93:O(LEU)=A|94:CB(GLU)
       3.114       3.820       0.706       0.200       3.529    A|215:CD2(LEU)=A|220:SD(MET)
       2.347       3.040       0.693       0.200       3.463    A|216:O(PRO)=A|217:O(GLU)
       2.584       3.270       0.686       0.200       3.431    A|216:C(PRO)=A|217:O(GLU)
       2.884       3.570       0.686       0.200       3.431    B|18:CA(VAL)=B|19:CD(PRO)
       2.799       3.470       0.671       0.200       3.356    B|218:O(GLU)=B|219:CB(THR)
       2.379       3.040       0.661       0.200       3.306    B|185:O(THR)=B|186:O(HIS)
       2.931       3.590       0.659       0.200       3.295    B|31:CA=CD2 (LEU)
       2.943       3.590       0.647       0.200       3.237    A|289:CA=CD1 (LEU)
       2.949       3.590       0.641       0.200       3.204    B|289:CA=CD1 (LEU)
       2.632       3.270       0.638       0.200       3.192    A|86:O(ASP)=A|87:C(PRO)
       3.242       3.880       0.638       0.200       3.191    A|41:CD2(LEU)=A|58:CD2(LEU)
       2.935       3.570       0.635       0.200       3.174    A|86:CA(ASP)=A|87:CD(PRO)
       2.757       3.390       0.633       0.200       3.163    B|57:C=CG2 (ILE)
       2.291       2.920       0.629       0.200       3.147    A|186:N=O (HIS)
       2.195       2.820       0.625       0.200       3.126    A|217:O(GLU)=A|219:N(THR)
       2.975       3.590       0.615       0.200       3.077    B|104:CA=CD1 (LEU)
       2.656       3.270       0.614       0.200       3.071    A|91:O(SER)=A|92:C(GLY)
       2.976       3.590       0.614       0.200       3.068    A|31:CA=CD1 (LEU)
       2.977       3.590       0.613       0.200       3.065    B|12:CA=CD2 (LEU)
       2.978       3.590       0.612       0.200       3.061    A|247:CA=CD2 (LEU)
       2.659       3.270       0.611       0.200       3.056    A|217:O(GLU)=A|218:C(GLU)
       2.984       3.590       0.606       0.200       3.032    B|208:CA=CD1 (LEU)
       2.436       3.040       0.604       0.200       3.021    B|219:O(THR)=B|222:O(PHE)
       2.968       3.570       0.602       0.200       3.012    B|109:CA(LEU)=B|110:CD(PRO)
       2.668       3.270       0.602       0.200       3.012    B|9:O(ARG)=B|10:C(PRO)
 

  Have      0 atom centres with inverted chirality and 
            7 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)
             6.45                B|178:O (GLU)        
             5.53                B|207:CG1 (ILE)      
             5.18                A|183:OG (SER)       
             4.45                B|207:CD1 (ILE)      
             4.41                A|156:N (ASP)        
             4.38                B|156:N (ASP)        
             4.31                B|207:O (ILE)        
             4.18                B|178:CB (GLU)       
             4.17                A|7:O (THR)          
             3.98                A|7:C (THR)          
             3.84                A|183:CB (SER)       
             3.63                B|207:CB (ILE)       
             3.55                B|178:C (GLU)        
             3.23                B|92:CA (GLY)        
             3.15                A|7:CB (THR)         
 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
            97.24                B|35:CG (GLN)        
            97.24                A|35:CG (GLN)        
            95.08                A|154:CG2 (THR)      
            95.08                B|154:CG2 (THR)      
            90.28                B|35:OE1 (GLN)       
            90.28                A|35:OE1 (GLN)       
            88.72                A|104:CD1 (LEU)      
            88.72                B|104:CD1 (LEU)      
            88.00                B|177:NE2 (GLN)      
            88.00                A|177:NE2 (GLN)      
            87.50                A|234:CD (LYS)       
            87.50                B|234:CD (LYS)       
            86.30                A|104:CD2 (LEU)      
            86.30                B|104:CD2 (LEU)      
            86.28                B|177:OE1 (GLN)      
            86.28                A|177:OE1 (GLN)      
            85.03                B|154:OG1 (THR)      
            85.03                A|154:OG1 (THR)      
            84.86                B|260:CG (MET)       
            84.86                A|260:CG (MET)       
            83.61                B|26:OE2 (GLU)       
            83.61                A|26:OE2 (GLU)       
            82.90                B|22:CG (LYS)        
            82.90                A|22:CG (LYS)        
            81.69                A|234:CG (LYS)       
            81.69                B|234:CG (LYS)       
            80.30                A|260:CE (MET)       
            80.30                B|260:CE (MET)       
            76.63                B|26:OE1 (GLU)       
            76.63                A|26:OE1 (GLU)       
            72.41                A|35:NE2 (GLN)       
            72.41                B|35:NE2 (GLN)       
            70.74                B|22:CD (LYS)        
            70.74                A|22:CD (LYS)        
            70.54                B|178:OE2 (GLU)      
            64.93                B|178:CD (GLU)       
            61.61                B|23:CE1 (TYR)       
            61.61                A|23:CE1 (TYR)       
            60.04                B|234:CE (LYS)       
            60.04                A|234:CE (LYS)       
  
 Atoms that make the largest contribution to overall function value. 
     Report the (function contribution)/(median contribution). Median=         9.777
        15.1     A|186:O(HIS)        
        13.7     A|186:C(HIS)        
        11.5     A|217:O(GLU)        
        10.8     A|187:CD(PRO)       
        10.4     A|186:CA(HIS)       
        10.0     A|187:N(PRO)        
         8.9     A|185:C(THR)        
         8.8     A|86:CA(ASP)        
         8.7     A|215:CD2(LEU)      
         8.1     A|186:N(HIS)        
         7.7     A|86:N(ASP)         
         7.7     A|187:CA(PRO)       
         7.4     B|155:C(TRP)        
         7.4     A|247:CD2(LEU)      
         7.4     B|222:O(PHE)        
         7.3     B|215:CB(LEU)       
         7.3     B|215:CA(LEU)       
         7.0     B|187:CA(PRO)       
         7.0     B|186:CA(HIS)       
         6.9     A|10:C(PRO)         
         6.8     A|85:C(ASN)         
         6.8     A|90:CG(PRO)        
         6.6     B|10:C(PRO)         
         6.5     B|186:C(HIS)        
         6.4     B|86:CA(ASP)        
         6.4     A|89:CG(GLU)        
         6.3     A|109:CA(LEU)       
         6.2     A|87:CB(PRO)        
         6.1     A|86:O(ASP)         
         6.1     B|215:C(LEU)        
         6.0     B|187:N(PRO)        
         6.0     A|87:CA(PRO)        
         5.8     A|10:CA(PRO)        
         5.7     A|185:O(THR)        
         5.7     B|86:N(ASP)         
         5.6     A|187:C(PRO)        
         5.6     B|87:CA(PRO)        
         5.6     B|185:O(THR)        
         5.6     A|93:O(LEU)         
         5.6     B|184:CG(ARG)       
         5.6     A|90:C(PRO)         
         5.5     A|87:C(PRO)         
         5.4     B|10:CA(PRO)        
         5.3     A|91:C(SER)         
         5.3     A|216:O(PRO)        
         5.3     A|86:OD1(ASP)       
         5.3     B|90:CD(PRO)        
         5.3     A|58:CD2(LEU)       
         5.2     A|94:CB(GLU)        
         5.2     B|223:CB(MET)       
         5.1     A|91:O(SER)         
         5.1     A|11:C(PRO)         
         5.1     A|11:CA(PRO)        
         5.1     B|243:CG1(VAL)      
         5.0     B|109:CA(LEU)       
         5.0     B|222:C(PHE)        
         5.0     A|90:CA(PRO)        
         4.9     B|12:CA(LEU)        
         4.9     A|9:CA(ARG)         
         4.8     A|90:O(PRO)         
         4.8     A|218:C(GLU)        
         4.8     B|122:CB(LYS)       
         4.8     B|186:O(HIS)        
         4.8     B|216:CA(PRO)       
         4.7     B|89:CA(GLU)        
         4.7     B|104:CD1(LEU)      
         4.7     B|156:N(ASP)        
         4.7     A|93:C(LEU)         
         4.7     B|218:N(GLU)        
         4.6     A|219:N(THR)        
         4.6     B|155:CA(TRP)       
         4.6     A|216:C(PRO)        
         4.5     B|9:O(ARG)          
         4.5     B|9:CA(ARG)         
         4.4     B|156:CA(ASP)       
         4.4     B|90:CA(PRO)        
         4.4     A|11:N(PRO)         
         4.4     B|218:O(GLU)        
         4.3     B|86:C(ASP)         
         4.3     B|187:CD(PRO)       
         4.3     A|86:C(ASP)         
         4.3     B|85:CA(ASN)        
         4.2     B|101:CA(PRO)       
         4.2     B|46:CA(TYR)        
         4.2     A|46:CA(TYR)        
         4.2     A|84:C(VAL)         
         4.2     B|122:N(LYS)        
         4.2     A|220:SD(MET)       
         4.2     A|216:CD(PRO)       
         4.1     A|85:O(ASN)         
         4.1     B|111:CA(LEU)       
         4.1     A|247:CA(LEU)       
         4.1     B|186:N(HIS)        
         4.1     B|219:CB(THR)       
         4.1     B|219:O(THR)        
         4.1     A|215:CA(LEU)       
         4.1     B|9:C(ARG)          
         4.1     B|20:CA(LEU)        
         4.1     B|222:CA(PHE)       
         4.1     B|218:CA(GLU)       
 
 (maximum number of reports in this screen output set to     100)
 (delta/sigma cutoff in this screen output is set to     3.000)
