 
 Screen output (gelly own version)
 Geometry function summary
     term                           number     weight       rms        GooF      function     fn/numb
     ================================================================================================
     BOND bond lengths (angs)       4718       2.000      0.0107       0.547      2818.55       0.597
     ANGL bond angles (degs)        6406       2.000        1.30       0.812      8439.15       1.317
     TORS split-harmonic tors       1049       0.000       23.19       1.482         0.00       0.000
     SINTOR sinusoidal tors         1049       2.000       23.19                  3175.20       3.027
     TRIG.onal planes (angs)         110       2.000      0.0088       0.442        42.89       0.390
     PLAN general plane (angs)       666       5.000      0.0168       0.839      2342.08       3.517
     BCORrelations (angs*2)         4718      20.000       1.602       0.273      7053.57       1.495
     CONT (bad contacts)               0       5.000                                 0.00
     IDEAL(ideal-dist contact)      5136       4.000                             32813.87
     CHIRAL (gelly semiharmon)       584       5.000                                14.68
     SIM similarity restraint for NCS and/or TARGET                               6009.01
     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    94.19 degs A|186:N=CA=C (HIS)

 Weighted rms      0.0107         1.299  (temporary rms bond and angle for autobuster to pick up!)
 
 Bond length outliers, distances in Angstroms
      Actual       Ideal       Delta       Sigma Delta/Sigma
       1.695       1.506      -0.189       0.039      -4.851    A|187:CB=CG (PRO)
       1.412       1.336      -0.076       0.023      -3.314    A|185:C(THR)=A|186:N(HIS)
       1.588       1.524      -0.064       0.020      -3.204    A|187:CA=C (PRO)
 
 Bond angle outliers, angles in degrees
      Actual       Ideal       Delta       Sigma Delta/Sigma
      94.188     111.000      16.812       2.700       6.227    A|186:N=CA=C (HIS)
     135.409     121.700     -13.709       2.500      -5.484    A|85:C(ASN)=A|86:N(ASP)=A|86:CA(ASP)
     135.131     121.700     -13.431       2.500      -5.373    B|155:C(TRP)=B|156:N(ASP)=B|156:CA(ASP)
      97.154     111.000      13.846       2.700       5.128    B|218:N=CA=C (GLU)
      97.273     111.000      13.727       2.700       5.084    B|222:N=CA=C (PHE)
      98.066     111.000      12.934       2.700       4.790    A|86:N=CA=C (ASP)
     133.453     121.700     -11.753       2.500      -4.701    B|185:C(THR)=B|186:N(HIS)=B|186:CA(HIS)
     130.257     117.100     -13.157       2.800      -4.699    A|186:CA(HIS)=A|186:C(HIS)=A|187:N(PRO)
     129.695     117.100     -12.595       2.800      -4.498    B|215:CA(LEU)=B|215:C(LEU)=B|216:N(PRO)
     112.946     121.100       8.154       1.900       4.291    A|186:O(HIS)=A|186:C(HIS)=A|187:N(PRO)
     131.708     121.700     -10.008       2.500      -4.003    B|121:C(GLN)=B|122:N(LYS)=B|122:CA(LYS)
     121.457     111.000     -10.457       2.700      -3.873    B|86:N=CA=C (ASP)
     100.594     111.000      10.406       2.700       3.854    B|155:N=CA=C (TRP)
     131.134     121.700      -9.434       2.500      -3.774    A|291:C(PHE)=A|292:N(ARG)=A|292:CA(ARG)
     131.061     121.700      -9.361       2.500      -3.745    B|291:C(PHE)=B|292:N(ARG)=B|292:CA(ARG)
     124.885     119.300      -5.585       1.500      -3.724    B|186:C(HIS)=B|187:N(PRO)=B|187:CA(PRO)
     135.907     127.000      -8.907       2.400      -3.711    A|186:C(HIS)=A|187:N(PRO)=A|187:CA(PRO)
     120.797     111.000      -9.797       2.700      -3.628    B|122:N=CA=C (LYS)
     130.532     121.700      -8.832       2.500      -3.533    B|265:C(LYS)=B|266:N(THR)=B|266:CA(THR)
     121.913     113.100      -8.813       2.500      -3.525    B|88:N=CA=C (GLY)
     121.215     112.100      -9.115       2.600      -3.506    A|87:N=CA=C (PRO)
     101.598     111.000       9.402       2.700       3.482    A|93:N=CA=C (LEU)
     116.804     110.200      -6.604       1.900      -3.476    B|215:CB=CA=C (LEU)
     120.233     111.000      -9.233       2.700      -3.420    A|147:N=CA=C (LYS)
     120.749     110.500     -10.249       3.000      -3.416    B|104:CD1=CG=CD2 (LEU)
     116.662     110.600      -6.062       1.800      -3.368    A|9:N=CA=CB (ARG)
     120.728     113.400      -7.328       2.200      -3.331    B|178:CA=CB=CG (GLU)
     103.459     112.100       8.641       2.600       3.324    A|216:N=CA=C (PRO)
     129.984     121.700      -8.284       2.500      -3.313    A|265:C(LYS)=A|266:N(THR)=A|266:CA(THR)
     119.922     111.000      -8.922       2.700      -3.304    B|239:N=CA=C (ASN)
     119.838     111.000      -8.838       2.700      -3.273    A|239:N=CA=C (ASN)
     126.156     117.100      -9.056       2.800      -3.234    B|9:CA(ARG)=B|9:C(ARG)=B|10:N(PRO)
     119.677     111.000      -8.677       2.700      -3.214    B|147:N=CA=C (LYS)
     122.674     115.300      -7.374       2.300      -3.206    B|215:CA=CB=CG (LEU)
     119.015     113.600      -5.415       1.700      -3.185    A|186:CA=CB=CG (HIS)
     113.635     120.600       6.965       2.200       3.166    A|186:C(HIS)=A|187:N(PRO)=A|187:CD(PRO)
     100.019     103.800       3.781       1.200       3.151    A|187:CG=CD=N (PRO)
     116.700     110.400      -6.300       2.000      -3.150    B|217:CB=CA=C (GLU)
     129.552     121.700      -7.852       2.500      -3.141    A|218:C(GLU)=A|219:N(THR)=A|219:CA(THR)
     129.502     121.700      -7.802       2.500      -3.121    A|155:C(TRP)=A|156:N(ASP)=A|156:CA(ASP)
     125.819     117.100      -8.719       2.800      -3.114    B|186:CA(HIS)=B|186:C(HIS)=B|187:N(PRO)
     116.161     110.300      -5.861       1.900      -3.085    A|154:N=CA=CB (THR)
     104.244     110.400       6.156       2.000       3.078    B|178:CB=CA=C (GLU)
     115.254     121.100       5.846       1.900       3.077    B|186:O(HIS)=B|186:C(HIS)=B|187:N(PRO)
     119.257     111.000      -8.257       2.700      -3.058    B|186:N=CA=C (HIS)
     113.697     120.100       6.403       2.100       3.049    B|215:CA=C=O (LEU)
     116.460     110.400      -6.060       2.000      -3.030    B|146:CB=CA=C (GLU)
     102.883     111.000       8.117       2.700       3.006    B|46:N=CA=C (TYR)
 
 Torsion angles in degrees.
      Actual       Ideal       Delta       Sigma Delta/Sigma
       2.893      90.000      87.107      20.000       4.355    B|81:CA=CB=CG=CD1 (PHE)
       8.572      90.000      81.428      20.000       4.071    B|53:CA=CB=CG=CD1 (TRP)
       8.696      90.000      81.304      20.000       4.065    A|81:CA=CB=CG=CD1 (PHE)
       9.265      90.000      80.735      20.000       4.037    A|53:CA=CB=CG=CD1 (TRP)
     120.313     180.000      59.687      15.000       3.979    B|220:CA=CB=CG=SD (MET)
     119.505      60.000     -59.505      15.000      -3.967    B|217:CA=CB=CG=CD (GLU)
      12.250      90.000      77.750      20.000       3.888    A|139:CA=CB=CG=CD1 (TYR)
      12.677      90.000      77.323      20.000       3.866    B|139:CA=CB=CG=CD1 (TYR)
    -122.171    -180.000     -57.829      15.000      -3.855    A|60:N=CA=CB=CG (MET)
    -117.768     -60.000      57.768      15.000       3.851    A|220:N=CA=CB=CG (MET)
    -117.057     -60.000      57.057      15.000       3.804    A|230:N=CA=CB=CG (LYS)
    -122.965    -180.000     -57.035      15.000      -3.802    B|60:N=CA=CB=CG (MET)
    -123.031    -180.000     -56.969      15.000      -3.798    B|287:N=CA=CB=SG (CYS)
       3.455      60.000      56.545      15.000       3.770    B|12:CA=CB=CG=CD2 (LEU)
    -124.021    -180.000     -55.979      15.000      -3.732    A|287:N=CA=CB=SG (CYS)
    -124.302    -180.000     -55.698      15.000      -3.713    B|22:CG=CD=CE=NZ (LYS)
    -124.311    -180.000     -55.689      15.000      -3.713    B|208:N=CA=CB=CG (LEU)
     124.488     180.000      55.512      15.000       3.701    B|104:CA=CB=CG=CD2 (LEU)
    -124.748    -180.000     -55.252      15.000      -3.683    A|106:CA=CB=CG=CD (LYS)
     125.258     180.000      54.742      15.000       3.649    A|122:CA=CB=CG=CD (LYS)
     114.505      60.000     -54.505      15.000      -3.634    B|289:CA=CB=CG=CD2 (LEU)
     114.271      60.000     -54.271      15.000      -3.618    A|289:CA=CB=CG=CD2 (LEU)
    -126.104    -180.000     -53.896      15.000      -3.593    B|184:CB=CG=CD=NE (ARG)
    -113.677     -60.000      53.677      15.000       3.578    A|206:CB=CG=CD=CE (LYS)
    -113.310     -60.000      53.310      15.000       3.554    A|93:CA=CB=CG=CD2 (LEU)
    -126.903    -180.000     -53.097      15.000      -3.540    A|289:N=CA=CB=CG (LEU)
    -127.175    -180.000     -52.825      15.000      -3.522    B|242:N=CA=CB=CG2 (THR)
    -127.178    -180.000     -52.822      15.000      -3.521    B|289:N=CA=CB=CG (LEU)
    -112.754     -60.000      52.754      15.000       3.517    B|206:CB=CG=CD=CE (LYS)
     112.412      60.000     -52.412      15.000      -3.494    B|154:N=CA=CB=CG2 (THR)
    -128.781    -180.000     -51.219      15.000      -3.415    B|9:N=CA=CB=CG (ARG)
     128.895     180.000      51.105      15.000       3.407    A|111:CA=CB=CG=CD2 (LEU)
     129.153     180.000      50.847      15.000       3.390    A|94:CA=CB=CG=CD (GLU)
     129.532     180.000      50.468      15.000       3.365    B|111:CA=CB=CG=CD2 (LEU)
     129.589     180.000      50.411      15.000       3.361    A|16:CG=CD=CE=NZ (LYS)
    -130.127    -180.000     -49.873      15.000      -3.325    A|275:CA=CB=CG=CD (ARG)
    -130.413    -180.000     -49.587      15.000      -3.306    B|275:CA=CB=CG=CD (ARG)
    -130.413    -180.000     -49.587      15.000      -3.306    B|20:N=CA=CB=CG (LEU)
    -109.389     -60.000      49.389      15.000       3.293    A|184:CB=CG=CD=NE (ARG)
    -131.492    -180.000     -48.508      15.000      -3.234    A|12:N=CA=CB=CG (LEU)
    -108.414     -60.000      48.414      15.000       3.228    B|181:N=CA=CB=CG (GLU)
      11.720      60.000      48.280      15.000       3.219    B|215:N=CA=CB=CG (LEU)
    -132.452    -180.000     -47.548      15.000      -3.170    A|186:N=CA=CB=CG (HIS)
     107.392      60.000     -47.392      15.000      -3.159    A|234:CG=CD=CE=NZ (LYS)
    -107.340     -60.000      47.340      15.000       3.156    B|31:N=CA=CB=CG (LEU)
     133.106     180.000      46.894      15.000       3.126    A|204:CA=CB=CG1=CD1 (ILE)
    -133.167    -180.000     -46.833      15.000      -3.122    B|260:N=CA=CB=CG (MET)
     133.273     180.000      46.727      15.000       3.115    B|217:N=CA=CB=CG (GLU)
    -133.282    -180.000     -46.718      15.000      -3.115    B|58:N=CA=CB=CG (LEU)
    -133.491    -180.000     -46.509      15.000      -3.101    A|184:N=CA=CB=CG (ARG)
    -134.380    -180.000     -45.620      15.000      -3.041    A|122:N=CA=CB=CG (LYS)
    -150.761     -90.000      60.761      20.000       3.038    A|186:CA=CB=CG=ND1 (HIS)
    -134.545    -180.000     -45.455      15.000      -3.030    B|247:CA=CB=CG=CD2 (LEU)
    -105.238     -60.000      45.238      15.000       3.016    A|181:N=CA=CB=CG (GLU)
 
 PLAN plane outliers, r.m.s. devia from the plane in Angs (ideal zero)
      Actual       Sigma   Act/Sigma
       0.097       0.020       4.869    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
       2.313       3.270       0.957       0.200       4.785    A|185:C(THR)=A|186:O(HIS)
       2.978       3.860       0.882       0.200       4.412    A|87:CB(PRO)=A|247:CD2(LEU) symm: 1555=2675
       2.636       3.440       0.804       0.200       4.021    B|222:O(PHE)=B|223:CB(MET)
       3.078       3.880       0.802       0.200       4.010    B|243:CG1(VAL)=B|247:CD1(LEU)
       2.721       3.520       0.799       0.200       3.994    B|184:CG=NH1 (ARG)
       2.406       3.190       0.784       0.200       3.921    A|186:O(HIS)=A|187:CD(PRO)
       3.079       3.860       0.781       0.200       3.903    A|215:CD2(LEU)=A|220:CG(MET)
       3.099       3.870       0.771       0.200       3.855    B|215:CB(LEU)=B|216:CA(PRO)
       2.849       3.590       0.741       0.200       3.703    B|111:CA=CD1 (LEU)
       2.850       3.590       0.740       0.200       3.699    A|111:CA=CD1 (LEU)
       3.122       3.840       0.718       0.200       3.589    A|89:CG(GLU)=A|90:CG(PRO) symm: 1555=2675
       2.749       3.460       0.711       0.200       3.555    B|185:O=CG2 (THR)
       3.112       3.820       0.708       0.200       3.541    A|215:CD2(LEU)=A|220:SD(MET)
       2.844       3.550       0.706       0.200       3.532    B|86:N(ASP)=B|87:CA(PRO)
       2.834       3.540       0.706       0.200       3.528    B|122:CB=CE (LYS)
       2.734       3.440       0.706       0.200       3.528    A|93:O(LEU)=A|94:CB(GLU)
       2.338       3.040       0.702       0.200       3.509    A|216:O(PRO)=A|217:O(GLU)
       2.883       3.570       0.687       0.200       3.437    B|18:CA(VAL)=B|19:CD(PRO)
       2.584       3.270       0.686       0.200       3.432    A|216:C(PRO)=A|217:O(GLU)
       2.794       3.470       0.676       0.200       3.381    B|218:O(GLU)=B|219:CB(THR)
       2.368       3.040       0.672       0.200       3.359    B|185:O(THR)=B|186:O(HIS)
       2.930       3.590       0.660       0.200       3.301    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)
       2.280       2.920       0.640       0.200       3.200    A|186:N=O (HIS)
       2.632       3.270       0.638       0.200       3.190    A|86:O(ASP)=A|87:C(PRO)
       2.753       3.390       0.637       0.200       3.186    B|57:C=CG2 (ILE)
       3.245       3.880       0.635       0.200       3.173    A|41:CD2(LEU)=A|58:CD2(LEU)
       2.939       3.570       0.631       0.200       3.157    A|86:CA(ASP)=A|87:CD(PRO)
       2.193       2.820       0.627       0.200       3.133    A|217:O(GLU)=A|219:N(THR)
       2.651       3.270       0.619       0.200       3.095    A|91:O(SER)=A|92:C(GLY)
       2.653       3.270       0.617       0.200       3.086    A|217:O(GLU)=A|218:C(GLU)
       2.974       3.590       0.616       0.200       3.078    B|104:CA=CD1 (LEU)
       2.975       3.590       0.615       0.200       3.077    A|247:CA=CD2 (LEU)
       2.428       3.040       0.612       0.200       3.061    B|219:O(THR)=B|222:O(PHE)
       2.980       3.590       0.610       0.200       3.051    B|12:CA=CD2 (LEU)
       2.980       3.590       0.610       0.200       3.048    A|31:CA=CD1 (LEU)
       2.985       3.590       0.605       0.200       3.025    B|208:CA=CD1 (LEU)
       2.666       3.270       0.604       0.200       3.019    B|9:O(ARG)=B|10:C(PRO)
       2.968       3.570       0.602       0.200       3.012    B|109:CA(LEU)=B|110:CD(PRO)
       2.789       3.390       0.601       0.200       3.004    B|204:C=CG2 (ILE)
 

  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)
             6.40                B|178:O (GLU)        
             5.52                B|207:CG1 (ILE)      
             5.15                A|183:OG (SER)       
             4.47                B|207:CD1 (ILE)      
             4.39                A|156:N (ASP)        
             4.36                B|156:N (ASP)        
             4.30                B|207:O (ILE)        
             4.22                A|7:O (THR)          
             4.19                B|178:CB (GLU)       
             3.97                A|7:C (THR)          
             3.87                A|183:CB (SER)       
             3.62                B|207:CB (ILE)       
             3.56                B|178:C (GLU)        
             3.22                B|92:CA (GLY)        
             3.17                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
            97.27                A|35:CG (GLN)        
            97.27                B|35:CG (GLN)        
            95.09                A|154:CG2 (THR)      
            95.09                B|154:CG2 (THR)      
            90.32                A|35:OE1 (GLN)       
            90.32                B|35:OE1 (GLN)       
            88.70                A|104:CD1 (LEU)      
            88.70                B|104:CD1 (LEU)      
            88.01                A|177:NE2 (GLN)      
            88.01                B|177:NE2 (GLN)      
            87.45                A|234:CD (LYS)       
            87.45                B|234:CD (LYS)       
            86.31                B|177:OE1 (GLN)      
            86.31                A|177:OE1 (GLN)      
            86.31                A|104:CD2 (LEU)      
            86.31                B|104:CD2 (LEU)      
            85.09                A|154:OG1 (THR)      
            85.09                B|154:OG1 (THR)      
            84.90                B|260:CG (MET)       
            84.90                A|260:CG (MET)       
            83.61                B|26:OE2 (GLU)       
            83.61                A|26:OE2 (GLU)       
            83.03                B|22:CG (LYS)        
            83.03                A|22:CG (LYS)        
            81.78                B|234:CG (LYS)       
            81.78                A|234:CG (LYS)       
            80.15                A|260:CE (MET)       
            80.15                B|260:CE (MET)       
            76.63                B|26:OE1 (GLU)       
            76.63                A|26:OE1 (GLU)       
            72.37                A|35:NE2 (GLN)       
            72.37                B|35:NE2 (GLN)       
            70.57                B|178:OE2 (GLU)      
            70.33                B|22:CD (LYS)        
            70.33                A|22:CD (LYS)        
            65.07                B|178:CD (GLU)       
            61.70                B|23:CE1 (TYR)       
            61.70                A|23:CE1 (TYR)       
  
 Atoms that make the largest contribution to overall function value. 
     Report the (function contribution)/(median contribution). Median=         9.820
        15.2     A|186:O(HIS)        
        13.7     A|186:C(HIS)        
        11.6     A|217:O(GLU)        
        10.8     A|187:CD(PRO)       
        10.4     A|186:CA(HIS)       
        10.1     A|187:N(PRO)        
         8.9     A|185:C(THR)        
         8.7     A|86:CA(ASP)        
         8.7     A|215:CD2(LEU)      
         8.1     A|186:N(HIS)        
         7.7     A|86:N(ASP)         
         7.6     A|187:CA(PRO)       
         7.5     B|222:O(PHE)        
         7.5     A|247:CD2(LEU)      
         7.4     B|155:C(TRP)        
         7.4     B|215:CB(LEU)       
         7.3     B|215:CA(LEU)       
         7.0     B|187:CA(PRO)       
         7.0     A|90:CG(PRO)        
         6.9     B|186:CA(HIS)       
         6.8     A|10:C(PRO)         
         6.7     A|85:C(ASN)         
         6.6     B|10:C(PRO)         
         6.5     B|86:CA(ASP)        
         6.5     A|89:CG(GLU)        
         6.4     B|186:C(HIS)        
         6.3     A|87:CB(PRO)        
         6.2     A|109:CA(LEU)       
         6.2     A|86:O(ASP)         
         6.1     B|187:N(PRO)        
         6.1     B|215:C(LEU)        
         5.8     A|87:CA(PRO)        
         5.7     B|185:O(THR)        
         5.7     A|185:O(THR)        
         5.7     A|90:C(PRO)         
         5.6     A|93:O(LEU)         
         5.6     B|184:CG(ARG)       
         5.6     A|10:CA(PRO)        
         5.6     B|86:N(ASP)         
         5.5     A|187:C(PRO)        
         5.5     B|87:CA(PRO)        
         5.4     B|90:CD(PRO)        
         5.4     A|216:O(PRO)        
         5.4     A|91:C(SER)         
         5.4     A|87:C(PRO)         
         5.3     A|58:CD2(LEU)       
         5.3     B|10:CA(PRO)        
         5.2     A|94:CB(GLU)        
         5.2     A|86:OD1(ASP)       
         5.2     B|223:CB(MET)       
         5.2     A|91:O(SER)         
         5.1     B|243:CG1(VAL)      
         5.1     A|11:CA(PRO)        
         5.1     A|11:C(PRO)         
         5.0     B|222:C(PHE)        
         5.0     B|109:CA(LEU)       
         5.0     A|90:O(PRO)         
         5.0     B|12:CA(LEU)        
         4.9     A|90:CA(PRO)        
         4.9     B|186:O(HIS)        
         4.9     A|9:CA(ARG)         
         4.9     A|218:C(GLU)        
         4.8     B|122:CB(LYS)       
         4.7     B|216:CA(PRO)       
         4.7     B|89:CA(GLU)        
         4.7     B|104:CD1(LEU)      
         4.7     B|218:N(GLU)        
         4.7     B|155:CA(TRP)       
         4.7     B|156:N(ASP)        
         4.7     A|93:C(LEU)         
         4.6     A|219:N(THR)        
         4.6     A|216:C(PRO)        
         4.6     A|11:N(PRO)         
         4.5     B|90:CA(PRO)        
         4.5     B|9:O(ARG)          
         4.4     B|9:CA(ARG)         
         4.4     B|86:C(ASP)         
         4.4     B|218:O(GLU)        
         4.4     B|156:CA(ASP)       
         4.3     B|85:CA(ASN)        
         4.3     B|101:CA(PRO)       
         4.3     B|187:CD(PRO)       
         4.3     A|86:C(ASP)         
         4.2     B|122:N(LYS)        
         4.2     B|46:CA(TYR)        
         4.2     A|46:CA(TYR)        
         4.2     A|84:C(VAL)         
         4.2     A|220:SD(MET)       
         4.2     B|90:C(PRO)         
         4.2     A|216:CD(PRO)       
         4.2     B|9:C(ARG)          
         4.2     B|219:O(THR)        
         4.1     B|219:CB(THR)       
         4.1     B|111:CA(LEU)       
         4.1     B|218:CA(GLU)       
         4.1     A|85:O(ASN)         
         4.1     A|247:CA(LEU)       
         4.1     A|92:C(GLY)         
         4.1     A|215:CA(LEU)       
         4.0     B|222:CA(PHE)       
 
 (maximum number of reports in this screen output set to     100)
 (delta/sigma cutoff in this screen output is set to     3.000)
