 
 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       0.546      2810.04       0.596
     ANGL bond angles (degs)        6406       2.000        1.30       0.812      8445.78       1.318
     TORS split-harmonic tors       1049       0.000       23.17       1.480         0.00       0.000
     SINTOR sinusoidal tors         1049       2.000       23.17                  3171.72       3.024
     TRIG.onal planes (angs)         110       2.000      0.0086       0.430        40.68       0.370
     PLAN general plane (angs)       666       5.000      0.0170       0.851      2412.23       3.622
     BCORrelations (angs*2)         4718      20.000       1.594       0.272      6983.31       1.480
     CONT (bad contacts)               0       5.000                                 0.00
     IDEAL(ideal-dist contact)      5136       4.000                             33008.63
     CHIRAL (gelly semiharmon)       584       5.000                                25.51
     SIM similarity restraint for NCS and/or TARGET                               6120.86
     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                           3.15 degs - monitor only
 
 WARNING: Have |delta/sigma| deviations > 5.0 sigma. Number of outliers for each term: 
 WARNING:         1 bond lengths. Worst is     5.3 sigs     1.71 Angs A|187:CB=CG (PRO)
 WARNING:         5 bond angles.  Worst is     6.5 sigs    93.54 degs A|186:N=CA=C (HIS)
 WARNING:         1 planes.       Worst is     5.2 sigs     0.10 Angs A|186:C=A|186:CA=A|186:O=A|187:N=A|187:CA=A|187:CD

 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
       1.713       1.506      -0.207       0.039      -5.309    A|187:CB=CG (PRO)
       1.418       1.336      -0.082       0.023      -3.566    A|185:C(THR)=A|186:N(HIS)
       1.617       1.525      -0.092       0.026      -3.542    B|215:CA=C (LEU)
 
 Bond angle outliers, angles in degrees
      Actual       Ideal       Delta       Sigma Delta/Sigma
      93.537     111.000      17.463       2.700       6.468    A|186:N=CA=C (HIS)
     136.718     121.700     -15.018       2.500      -6.007    A|85:C(ASN)=A|86:N(ASP)=A|86:CA(ASP)
      96.426     111.000      14.574       2.700       5.398    B|218:N=CA=C (GLU)
      96.910     111.000      14.090       2.700       5.219    B|222:N=CA=C (PHE)
     134.693     121.700     -12.993       2.500      -5.197    B|155:C(TRP)=B|156:N(ASP)=B|156:CA(ASP)
     124.116     112.100     -12.016       2.600      -4.621    A|87:N=CA=C (PRO)
     129.544     117.100     -12.444       2.800      -4.444    A|186:CA(HIS)=A|186:C(HIS)=A|187:N(PRO)
      99.025     111.000      11.975       2.700       4.435    A|86:N=CA=C (ASP)
     132.697     121.700     -10.997       2.500      -4.399    B|185:C(THR)=B|186:N(HIS)=B|186:CA(HIS)
     122.495     111.000     -11.495       2.700      -4.257    B|86:N=CA=C (ASP)
     136.884     127.000      -9.884       2.400      -4.118    A|186:C(HIS)=A|187:N(PRO)=A|187:CA(PRO)
     131.954     121.700     -10.254       2.500      -4.101    B|121:C(GLN)=B|122:N(LYS)=B|122:CA(LYS)
     128.532     117.100     -11.432       2.800      -4.083    B|215:CA(LEU)=B|215:C(LEU)=B|216:N(PRO)
     100.124     111.000      10.876       2.700       4.028    B|155:N=CA=C (TRP)
     127.931     117.100     -10.831       2.800      -3.868    B|9:CA(ARG)=B|9:C(ARG)=B|10:N(PRO)
     124.093     115.300      -8.793       2.300      -3.823    B|215:CA=CB=CG (LEU)
     121.310     111.000     -10.310       2.700      -3.819    B|122:N=CA=C (LYS)
     131.197     121.700      -9.497       2.500      -3.799    A|291:C(PHE)=A|292:N(ARG)=A|292:CA(ARG)
     102.348     112.100       9.752       2.600       3.751    A|216:N=CA=C (PRO)
     114.001     121.100       7.099       1.900       3.736    A|186:O(HIS)=A|186:C(HIS)=A|187:N(PRO)
     131.005     121.700      -9.305       2.500      -3.722    B|291:C(PHE)=B|292:N(ARG)=B|292:CA(ARG)
     121.303     110.500     -10.803       3.000      -3.601    B|104:CD1=CG=CD2 (LEU)
     112.823     120.600       7.777       2.200       3.535    A|186:C(HIS)=A|187:N(PRO)=A|187:CD(PRO)
     130.464     121.700      -8.764       2.500      -3.506    B|265:C(LYS)=B|266:N(THR)=B|266:CA(THR)
     117.386     110.400      -6.986       2.000      -3.493    B|217:CB=CA=C (GLU)
     120.274     111.000      -9.274       2.700      -3.435    A|147:N=CA=C (LYS)
     124.418     119.300      -5.118       1.500      -3.412    B|186:C(HIS)=B|187:N(PRO)=B|187:CA(PRO)
     120.201     111.000      -9.201       2.700      -3.408    B|186:N=CA=C (HIS)
     130.142     121.700      -8.442       2.500      -3.377    A|265:C(LYS)=A|266:N(THR)=A|266:CA(THR)
     116.613     110.600      -6.013       1.800      -3.341    A|9:N=CA=CB (ARG)
     113.173     120.100       6.927       2.100       3.299    B|9:CA=C=O (ARG)
     120.649     113.400      -7.249       2.200      -3.295    B|85:CA=CB=CG (ASN)
     129.847     121.700      -8.147       2.500      -3.259    A|155:C(TRP)=A|156:N(ASP)=A|156:CA(ASP)
     119.748     111.000      -8.748       2.700      -3.240    A|239:N=CA=C (ASN)
     120.504     113.400      -7.104       2.200      -3.229    B|178:CA=CB=CG (GLU)
     119.681     111.000      -8.681       2.700      -3.215    B|239:N=CA=C (ASN)
      99.069     102.600       3.531       1.100       3.210    A|187:N=CA=CB (PRO)
     119.551     111.000      -8.551       2.700      -3.167    B|147:N=CA=C (LYS)
     116.277     110.300      -5.977       1.900      -3.146    A|154:N=CA=CB (THR)
     129.558     121.700      -7.858       2.500      -3.143    A|218:C(GLU)=A|219:N(THR)=A|219:CA(THR)
     102.522     111.000       8.478       2.700       3.140    A|93:N=CA=C (LEU)
     107.315     111.700       4.385       1.400       3.132    B|90:CA=N=CD (PRO)
     116.096     110.200      -5.896       1.900      -3.103    B|215:CB=CA=C (LEU)
     119.344     111.000      -8.344       2.700      -3.090    B|215:N=CA=C (LEU)
 
 Torsion angles in degrees.
      Actual       Ideal       Delta       Sigma Delta/Sigma
       3.011      90.000      86.989      20.000       4.349    B|81:CA=CB=CG=CD1 (PHE)
       8.507      90.000      81.493      20.000       4.075    A|81:CA=CB=CG=CD1 (PHE)
       8.656      90.000      81.344      20.000       4.067    B|53:CA=CB=CG=CD1 (TRP)
       9.254      90.000      80.746      20.000       4.037    A|53:CA=CB=CG=CD1 (TRP)
     120.939     180.000      59.061      15.000       3.937    B|220:CA=CB=CG=SD (MET)
      12.060      90.000      77.940      20.000       3.897    A|139:CA=CB=CG=CD1 (TYR)
      12.601      90.000      77.399      20.000       3.870    B|139:CA=CB=CG=CD1 (TYR)
     122.133     180.000      57.867      15.000       3.858    B|217:CA=CB=CG=CD (GLU)
    -116.939     -60.000      56.939      15.000       3.796    A|220:N=CA=CB=CG (MET)
    -123.073    -180.000     -56.927      15.000      -3.795    B|287:N=CA=CB=SG (CYS)
    -123.544    -180.000     -56.456      15.000      -3.764    A|60:N=CA=CB=CG (MET)
    -123.683    -180.000     -56.317      15.000      -3.754    A|287:N=CA=CB=SG (CYS)
    -123.802    -180.000     -56.198      15.000      -3.747    B|22:CG=CD=CE=NZ (LYS)
    -124.177    -180.000     -55.823      15.000      -3.722    B|60:N=CA=CB=CG (MET)
    -124.699    -180.000     -55.301      15.000      -3.687    B|184:CB=CG=CD=NE (ARG)
    -125.023    -180.000     -54.977      15.000      -3.665    A|106:CA=CB=CG=CD (LYS)
     114.880      60.000     -54.880      15.000      -3.659    B|289:CA=CB=CG=CD2 (LEU)
    -114.653     -60.000      54.653      15.000       3.644    A|230:N=CA=CB=CG (LYS)
     114.583      60.000     -54.583      15.000      -3.639    A|289:CA=CB=CG=CD2 (LEU)
     125.811     180.000      54.189      15.000       3.613    B|104:CA=CB=CG=CD2 (LEU)
    -113.723     -60.000      53.723      15.000       3.582    A|93:CA=CB=CG=CD2 (LEU)
     126.317     180.000      53.683      15.000       3.579    A|122:CA=CB=CG=CD (LYS)
    -126.679    -180.000     -53.321      15.000      -3.555    A|289:N=CA=CB=CG (LEU)
    -113.240     -60.000      53.240      15.000       3.549    A|206:CB=CG=CD=CE (LYS)
    -126.812    -180.000     -53.188      15.000      -3.546    B|208:N=CA=CB=CG (LEU)
    -127.033    -180.000     -52.967      15.000      -3.531    B|289:N=CA=CB=CG (LEU)
    -127.066    -180.000     -52.934      15.000      -3.529    B|242:N=CA=CB=CG2 (THR)
       7.091      60.000      52.909      15.000       3.527    B|12:CA=CB=CG=CD2 (LEU)
    -112.719     -60.000      52.719      15.000       3.515    B|206:CB=CG=CD=CE (LYS)
     127.926     180.000      52.074      15.000       3.472    B|217:N=CA=CB=CG (GLU)
     111.958      60.000     -51.958      15.000      -3.464    B|154:N=CA=CB=CG2 (THR)
     128.136     180.000      51.864      15.000       3.458    A|204:CA=CB=CG1=CD1 (ILE)
     128.695     180.000      51.305      15.000       3.420    A|111:CA=CB=CG=CD2 (LEU)
     129.164     180.000      50.836      15.000       3.389    B|111:CA=CB=CG=CD2 (LEU)
     110.624      60.000     -50.624      15.000      -3.375    A|234:CG=CD=CE=NZ (LYS)
     130.332     180.000      49.668      15.000       3.311    A|16:CG=CD=CE=NZ (LYS)
    -130.428    -180.000     -49.572      15.000      -3.305    A|275:CA=CB=CG=CD (ARG)
    -130.587    -180.000     -49.413      15.000      -3.294    B|275:CA=CB=CG=CD (ARG)
     130.609     180.000      49.391      15.000       3.293    A|94:CA=CB=CG=CD (GLU)
      10.799      60.000      49.201      15.000       3.280    B|215:N=CA=CB=CG (LEU)
    -108.987     -60.000      48.987      15.000       3.266    A|184:CB=CG=CD=NE (ARG)
    -108.830     -60.000      48.830      15.000       3.255    B|181:N=CA=CB=CG (GLU)
    -131.459    -180.000     -48.541      15.000      -3.236    B|9:N=CA=CB=CG (ARG)
    -131.994    -180.000     -48.006      15.000      -3.200    A|12:N=CA=CB=CG (LEU)
    -132.124    -180.000     -47.876      15.000      -3.192    B|20:N=CA=CB=CG (LEU)
     132.375     180.000      47.625      15.000       3.175    A|89:CA=CB=CG=CD (GLU)
    -133.097    -180.000     -46.903      15.000      -3.127    A|186:N=CA=CB=CG (HIS)
    -106.755     -60.000      46.755      15.000       3.117    A|181:N=CA=CB=CG (GLU)
    -106.430     -60.000      46.430      15.000       3.095    B|31:N=CA=CB=CG (LEU)
    -151.812     -90.000      61.812      20.000       3.091    A|186:CA=CB=CG=ND1 (HIS)
    -133.811    -180.000     -46.189      15.000      -3.079    A|184:N=CA=CB=CG (ARG)
    -133.951    -180.000     -46.049      15.000      -3.070    B|260:N=CA=CB=CG (MET)
    -134.741    -180.000     -45.259      15.000      -3.017    A|122:N=CA=CB=CG (LYS)
 
 PLAN plane outliers, r.m.s. devia from the plane in Angs (ideal zero)
      Actual       Sigma   Act/Sigma
       0.105       0.020       5.230    A|186:C=A|186:CA=A|186:O=A|187:N=A|187:CA=A|187:CD
       0.065       0.020       3.228    B|186:C=B|186:CA=B|186:O=B|187:N=B|187:CA=B|187:CD
 
 Ideal-contact distance outliers, distances in Angstroms
      Actual    ContactD       Delta       Sigma Delta/Sigma
       2.302       3.270       0.968       0.200       4.839    A|185:C(THR)=A|186:O(HIS)
       2.930       3.860       0.930       0.200       4.652    A|87:CB(PRO)=A|247:CD2(LEU) symm: 1555=2675
       3.017       3.880       0.863       0.200       4.314    B|243:CG1(VAL)=B|247:CD1(LEU)
       3.032       3.860       0.828       0.200       4.142    A|215:CD2(LEU)=A|220:CG(MET)
       2.699       3.520       0.821       0.200       4.105    B|184:CG=NH1 (ARG)
       2.619       3.440       0.821       0.200       4.103    B|222:O(PHE)=B|223:CB(MET)
       3.057       3.870       0.813       0.200       4.067    B|215:CB(LEU)=B|216:CA(PRO)
       3.047       3.840       0.793       0.200       3.966    A|89:CG(GLU)=A|90:CG(PRO) symm: 1555=2675
       2.429       3.190       0.761       0.200       3.805    A|186:O(HIS)=A|187:CD(PRO)
       2.284       3.040       0.756       0.200       3.781    A|216:O(PRO)=A|217:O(GLU)
       2.835       3.590       0.755       0.200       3.775    A|111:CA=CD1 (LEU)
       2.839       3.590       0.751       0.200       3.755    B|111:CA=CD1 (LEU)
       3.074       3.820       0.746       0.200       3.728    A|215:CD2(LEU)=A|220:SD(MET)
       2.300       3.040       0.740       0.200       3.701    B|185:O(THR)=B|186:O(HIS)
       2.728       3.440       0.712       0.200       3.559    A|93:O(LEU)=A|94:CB(GLU)
       2.847       3.550       0.703       0.200       3.513    B|86:N(ASP)=B|87:CA(PRO)
       2.842       3.540       0.698       0.200       3.492    B|122:CB=CE (LYS)
       2.772       3.470       0.698       0.200       3.488    B|218:O(GLU)=B|219:CB(THR)
       2.584       3.270       0.686       0.200       3.431    A|216:C(PRO)=A|217:O(GLU)
       2.786       3.460       0.674       0.200       3.371    B|185:O=CG2 (THR)
       2.898       3.570       0.672       0.200       3.358    B|18:CA(VAL)=B|19:CD(PRO)
       2.920       3.590       0.670       0.200       3.348    B|31:CA=CD2 (LEU)
       2.739       3.390       0.651       0.200       3.255    B|57:C=CG2 (ILE)
       2.920       3.570       0.650       0.200       3.251    A|86:CA(ASP)=A|87:CD(PRO)
       2.621       3.270       0.649       0.200       3.243    A|217:O(GLU)=A|218:C(GLU)
       2.392       3.040       0.648       0.200       3.239    B|219:O(THR)=B|222:O(PHE)
       2.273       2.920       0.647       0.200       3.237    A|186:N=O (HIS)
       2.945       3.590       0.645       0.200       3.227    A|289:CA=CD1 (LEU)
       2.945       3.590       0.645       0.200       3.223    A|247:CA=CD2 (LEU)
       2.626       3.270       0.644       0.200       3.218    B|9:O(ARG)=B|10:C(PRO)
       2.951       3.590       0.639       0.200       3.193    B|289:CA=CD1 (LEU)
       2.632       3.270       0.638       0.200       3.190    A|91:O(SER)=A|92:C(GLY)
       2.187       2.820       0.633       0.200       3.165    A|217:O(GLU)=A|219:N(THR)
       2.970       3.590       0.620       0.200       3.100    B|104:CA=CD1 (LEU)
       3.260       3.880       0.620       0.200       3.099    A|41:CD2(LEU)=A|58:CD2(LEU)
       3.248       3.860       0.612       0.200       3.060    B|12:CD1(LEU)=B|19:CB(PRO)
       2.781       3.390       0.609       0.200       3.045    B|204:C=CG2 (ILE)
       2.434       3.040       0.606       0.200       3.028    A|86:O(ASP)=A|89:O(GLU)
       2.967       3.570       0.603       0.200       3.016    B|109:CA(LEU)=B|110:CD(PRO)
 

  Have      0 atom centres with inverted chirality and 
            8 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)
             6.03                B|178:O (GLU)        
             5.60                B|207:CG1 (ILE)      
             4.86                A|183:OG (SER)       
             4.63                A|7:O (THR)          
             4.60                B|207:CD1 (ILE)      
             4.32                A|156:N (ASP)        
             4.30                B|156:N (ASP)        
             4.28                B|178:CB (GLU)       
             4.24                A|183:CB (SER)       
             3.85                A|7:C (THR)          
             3.76                B|207:O (ILE)        
             3.66                B|178:C (GLU)        
             3.64                B|207:CB (ILE)       
             3.48                A|7:CB (THR)         
             3.17                B|92:CA (GLY)        
 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
            97.36                B|35:CG (GLN)        
            97.36                A|35:CG (GLN)        
            95.13                B|154:CG2 (THR)      
            95.13                A|154:CG2 (THR)      
            90.39                B|35:OE1 (GLN)       
            90.39                A|35:OE1 (GLN)       
            88.51                B|104:CD1 (LEU)      
            88.51                A|104:CD1 (LEU)      
            88.10                B|177:NE2 (GLN)      
            88.10                A|177:NE2 (GLN)      
            87.15                B|234:CD (LYS)       
            87.15                A|234:CD (LYS)       
            86.36                A|177:OE1 (GLN)      
            86.36                B|177:OE1 (GLN)      
            86.35                B|104:CD2 (LEU)      
            86.35                A|104:CD2 (LEU)      
            85.37                B|154:OG1 (THR)      
            85.37                A|154:OG1 (THR)      
            85.21                A|260:CG (MET)       
            85.21                B|260:CG (MET)       
            83.58                B|26:OE2 (GLU)       
            83.58                A|26:OE2 (GLU)       
            83.35                A|22:CG (LYS)        
            83.35                B|22:CG (LYS)        
            82.56                B|234:CG (LYS)       
            82.56                A|234:CG (LYS)       
            79.85                B|260:CE (MET)       
            79.85                A|260:CE (MET)       
            76.77                B|26:OE1 (GLU)       
            76.77                A|26:OE1 (GLU)       
            72.09                A|35:NE2 (GLN)       
            72.09                B|35:NE2 (GLN)       
            70.48                B|178:OE2 (GLU)      
            68.91                B|22:CD (LYS)        
            68.91                A|22:CD (LYS)        
            65.38                B|178:CD (GLU)       
            61.29                B|23:CE1 (TYR)       
            61.29                A|23:CE1 (TYR)       
  
 Atoms that make the largest contribution to overall function value. 
     Report the (function contribution)/(median contribution). Median=         9.761
        15.2     A|186:O(HIS)        
        14.6     A|186:C(HIS)        
        12.2     A|217:O(GLU)        
        11.5     A|187:CD(PRO)       
        10.9     A|186:CA(HIS)       
        10.4     A|187:N(PRO)        
         9.6     A|185:C(THR)        
         9.3     A|215:CD2(LEU)      
         8.6     A|186:N(HIS)        
         8.4     B|215:CB(LEU)       
         8.4     A|86:CA(ASP)        
         8.3     A|187:CA(PRO)       
         8.1     B|186:CA(HIS)       
         8.0     B|215:CA(LEU)       
         8.0     A|86:N(ASP)         
         7.9     B|222:O(PHE)        
         7.9     A|247:CD2(LEU)      
         7.8     A|90:CG(PRO)        
         7.4     B|155:C(TRP)        
         7.1     A|85:C(ASN)         
         7.0     A|87:CB(PRO)        
         6.9     A|89:CG(GLU)        
         6.9     B|10:C(PRO)         
         6.8     A|10:C(PRO)         
         6.7     B|187:CA(PRO)       
         6.6     B|186:C(HIS)        
         6.3     A|109:CA(LEU)       
         6.3     A|91:C(SER)         
         6.2     A|90:C(PRO)         
         6.1     B|86:CA(ASP)        
         6.0     A|216:O(PRO)        
         5.9     B|185:O(THR)        
         5.9     A|86:O(ASP)         
         5.9     A|185:O(THR)        
         5.9     A|10:CA(PRO)        
         5.9     A|87:CA(PRO)        
         5.8     A|93:O(LEU)         
         5.8     B|10:CA(PRO)        
         5.8     B|215:C(LEU)        
         5.8     B|90:CD(PRO)        
         5.8     B|184:CG(ARG)       
         5.7     A|58:CD2(LEU)       
         5.6     A|91:O(SER)         
         5.6     B|243:CG1(VAL)      
         5.6     B|186:O(HIS)        
         5.5     A|87:C(PRO)         
         5.4     A|187:C(PRO)        
         5.4     A|90:O(PRO)         
         5.4     B|87:CA(PRO)        
         5.4     B|223:CB(MET)       
         5.4     B|9:C(ARG)          
         5.3     B|86:N(ASP)         
         5.3     B|9:CA(ARG)         
         5.2     B|187:N(PRO)        
         5.2     A|218:C(GLU)        
         5.2     A|11:C(PRO)         
         5.2     B|9:O(ARG)          
         5.1     B|216:CA(PRO)       
         5.1     A|94:CB(GLU)        
         5.1     A|9:CA(ARG)         
         5.0     B|109:CA(LEU)       
         5.0     B|90:CA(PRO)        
         5.0     B|222:C(PHE)        
         4.9     B|104:CD1(LEU)      
         4.9     B|218:N(GLU)        
         4.9     A|11:CA(PRO)        
         4.9     A|216:C(PRO)        
         4.8     B|122:CB(LYS)       
         4.8     A|219:N(THR)        
         4.7     A|84:C(VAL)         
         4.6     A|220:SD(MET)       
         4.6     B|12:CA(LEU)        
         4.6     B|155:CA(TRP)       
         4.5     B|156:N(ASP)        
         4.5     B|218:O(GLU)        
         4.5     A|93:C(LEU)         
         4.5     A|90:CA(PRO)        
         4.5     B|122:N(LYS)        
         4.5     B|219:O(THR)        
         4.4     B|89:CA(GLU)        
         4.4     B|86:C(ASP)         
         4.4     B|156:CA(ASP)       
         4.4     A|247:CA(LEU)       
         4.4     B|85:CA(ASN)        
         4.4     B|218:CA(GLU)       
         4.3     B|186:N(HIS)        
         4.3     B|219:CB(THR)       
         4.3     A|92:C(GLY)         
         4.3     A|187:CB(PRO)       
         4.3     A|86:OD1(ASP)       
         4.3     A|89:O(GLU)         
         4.3     B|101:CA(PRO)       
         4.2     B|46:CA(TYR)        
         4.2     A|46:CA(TYR)        
         4.2     B|84:C(VAL)         
         4.2     B|222:CA(PHE)       
         4.2     B|111:CA(LEU)       
         4.2     A|11:N(PRO)         
         4.1     B|184:NH1(ARG)      
         4.1     A|111:CA(LEU)       
 
 (maximum number of reports in this screen output set to     100)
 (delta/sigma cutoff in this screen output is set to     3.000)
