 
 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       0.539      2740.07       0.581
     ANGL bond angles (degs)        6406       2.000        1.31       0.819      8604.01       1.343
     TORS split-harmonic tors       1049       0.000       23.22       1.484         0.00       0.000
     SINTOR sinusoidal tors         1049       2.000       23.22                  3181.19       3.033
     TRIG.onal planes (angs)         110       2.000      0.0106       0.530        61.84       0.562
     PLAN general plane (angs)       666       5.000      0.0172       0.858      2452.16       3.682
     BCORrelations (angs*2)         4718      20.000       1.560       0.266      6687.56       1.417
     CONT (bad contacts)               0       5.000                                 0.00
     IDEAL(ideal-dist contact)      5150       4.000                             34143.70
     CHIRAL (gelly semiharmon)       584       5.000                                31.32
     SIM similarity restraint for NCS and/or TARGET                               6536.36
     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                           3.26 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:         8 bond angles.  Worst is     6.3 sigs    93.98 degs A|186:N=CA=C (HIS)
 WARNING:         1 planes.       Worst is     5.5 sigs     0.11 Angs A|186:C=A|186:CA=A|186:O=A|187:N=A|187:CA=A|187:CD
 WARNING:         3 idealD contacts. Worst     5.3 sigs     2.78 Angs A|89:CG(GLU)=A|90:CG(PRO) symm: 1555=2675

 Weighted rms      0.0106         1.312  (temporary rms bond and angle for autobuster to pick up!)
 
 Bond length outliers, distances in Angstroms
      Actual       Ideal       Delta       Sigma Delta/Sigma
       1.712       1.506      -0.206       0.039      -5.287    A|187:CB=CG (PRO)
       1.418       1.336      -0.082       0.023      -3.558    A|185:C(THR)=A|186:N(HIS)
       1.653       1.495      -0.158       0.050      -3.152    B|90:CB=CG (PRO)
 
 Bond angle outliers, angles in degrees
      Actual       Ideal       Delta       Sigma Delta/Sigma
      93.976     111.000      17.024       2.700       6.305    A|186:N=CA=C (HIS)
      94.370     111.000      16.630       2.700       6.159    B|218:N=CA=C (GLU)
      95.506     111.000      15.494       2.700       5.739    A|86:N=CA=C (ASP)
     139.771     127.000     -12.771       2.400      -5.321    A|186:C(HIS)=A|187:N(PRO)=A|187:CA(PRO)
      96.973     111.000      14.027       2.700       5.195    B|222:N=CA=C (PHE)
     134.355     121.700     -12.655       2.500      -5.062    A|85:C(ASN)=A|86:N(ASP)=A|86:CA(ASP)
     125.159     112.100     -13.059       2.600      -5.023    A|87:N=CA=C (PRO)
     134.251     121.700     -12.551       2.500      -5.020    B|155:C(TRP)=B|156:N(ASP)=B|156:CA(ASP)
     130.548     117.100     -13.448       2.800      -4.803    A|186:CA(HIS)=A|186:C(HIS)=A|187:N(PRO)
     133.485     121.700     -11.785       2.500      -4.714    B|185:C(THR)=B|186:N(HIS)=B|186:CA(HIS)
     133.427     121.700     -11.727       2.500      -4.691    B|121:C(GLN)=B|122:N(LYS)=B|122:CA(LYS)
     123.607     111.000     -12.607       2.700      -4.669    B|122:N=CA=C (LYS)
     112.504     121.100       8.596       1.900       4.524    A|186:O(HIS)=A|186:C(HIS)=A|187:N(PRO)
     118.360     110.600      -7.760       1.800      -4.311    A|9:N=CA=CB (ARG)
     111.127     120.600       9.473       2.200       4.306    A|186:C(HIS)=A|187:N(PRO)=A|187:CD(PRO)
      99.671     111.000      11.329       2.700       4.196    B|155:N=CA=C (TRP)
     122.262     111.000     -11.262       2.700      -4.171    B|86:N=CA=C (ASP)
     122.943     110.500     -12.443       3.000      -4.148    B|104:CD1=CG=CD2 (LEU)
     101.366     112.100      10.734       2.600       4.128    A|90:N=CA=C (PRO)
     101.423     112.100      10.677       2.600       4.107    A|216:N=CA=C (PRO)
     131.169     121.700      -9.469       2.500      -3.788    B|291:C(PHE)=B|292:N(ARG)=B|292:CA(ARG)
     127.668     117.100     -10.568       2.800      -3.774    B|215:CA(LEU)=B|215:C(LEU)=B|216:N(PRO)
     131.041     121.700      -9.341       2.500      -3.736    A|291:C(PHE)=A|292:N(ARG)=A|292:CA(ARG)
     130.926     121.700      -9.226       2.500      -3.690    B|93:C(LEU)=B|94:N(GLU)=B|94:CA(GLU)
     120.780     111.000      -9.780       2.700      -3.622    A|147:N=CA=C (LYS)
     130.669     121.700      -8.969       2.500      -3.587    B|204:C(ILE)=B|205:N(GLN)=B|205:CA(GLN)
     130.667     121.700      -8.967       2.500      -3.587    A|218:C(GLU)=A|219:N(THR)=A|219:CA(THR)
     120.628     111.000      -9.628       2.700      -3.566    B|147:N=CA=C (LYS)
     117.498     110.400      -7.098       2.000      -3.549    B|89:CB=CA=C (GLU)
      98.706     102.600       3.894       1.100       3.540    A|187:N=CA=CB (PRO)
     123.300     115.300      -8.000       2.300      -3.478    B|215:CA=CB=CG (LEU)
     130.160     121.700      -8.460       2.500      -3.384    B|265:C(LYS)=B|266:N(THR)=B|266:CA(THR)
     130.106     121.700      -8.406       2.500      -3.362    A|204:C(ILE)=A|205:N(GLN)=A|205:CA(GLN)
     130.028     121.700      -8.328       2.500      -3.331    A|155:C(TRP)=A|156:N(ASP)=A|156:CA(ASP)
     119.839     111.000      -8.839       2.700      -3.274    B|186:N=CA=C (HIS)
     116.929     110.400      -6.529       2.000      -3.264    B|217:CB=CA=C (GLU)
     113.290     120.100       6.810       2.100       3.243    B|215:CA=C=O (LEU)
     103.965     110.400       6.435       2.000       3.217    B|20:N=CA=CB (LEU)
     126.056     117.100      -8.956       2.800      -3.199    B|186:CA(HIS)=B|186:C(HIS)=B|187:N(PRO)
     120.403     113.400      -7.003       2.200      -3.183    A|9:CA=CB=CG (ARG)
     129.650     121.700      -7.950       2.500      -3.180    A|265:C(LYS)=A|266:N(THR)=A|266:CA(THR)
     124.060     119.300      -4.760       1.500      -3.174    B|186:C(HIS)=B|187:N(PRO)=B|187:CA(PRO)
     102.448     111.000       8.552       2.700       3.167    B|185:N=CA=C (THR)
     116.240     110.600      -5.640       1.800      -3.133    B|9:N=CA=CB (ARG)
     116.129     110.200      -5.929       1.900      -3.121    B|215:CB=CA=C (LEU)
     119.424     111.000      -8.424       2.700      -3.120    B|239:N=CA=C (ASN)
     119.308     111.000      -8.308       2.700      -3.077    A|239:N=CA=C (ASN)
     120.781     113.100      -7.681       2.500      -3.072    B|88:N=CA=C (GLY)
     125.701     117.100      -8.601       2.800      -3.072    B|86:CA(ASP)=B|86:C(ASP)=B|87:N(PRO)
     129.365     121.700      -7.665       2.500      -3.066    B|214:C(SER)=B|215:N(LEU)=B|215:CA(LEU)
 
 Torsion angles in degrees.
      Actual       Ideal       Delta       Sigma Delta/Sigma
       3.221      90.000      86.779      20.000       4.339    B|81:CA=CB=CG=CD1 (PHE)
       8.351      90.000      81.649      20.000       4.082    A|81:CA=CB=CG=CD1 (PHE)
       9.932      90.000      80.068      20.000       4.003    B|53:CA=CB=CG=CD1 (TRP)
    -119.787     -60.000      59.787      15.000       3.986    B|184:CB=CG=CD=NE (ARG)
      10.610      90.000      79.390      20.000       3.969    A|53:CA=CB=CG=CD1 (TRP)
     117.975      60.000     -57.975      15.000      -3.865    B|289:CA=CB=CG=CD2 (LEU)
     122.228     180.000      57.772      15.000       3.851    B|217:N=CA=CB=CG (GLU)
     117.673      60.000     -57.673      15.000      -3.845    A|204:CA=CB=CG1=CD1 (ILE)
      13.607      90.000      76.393      20.000       3.820    A|139:CA=CB=CG=CD1 (TYR)
     117.248      60.000     -57.248      15.000      -3.817    A|289:CA=CB=CG=CD2 (LEU)
      14.130      90.000      75.870      20.000       3.793    B|139:CA=CB=CG=CD1 (TYR)
    -123.613    -180.000     -56.387      15.000      -3.759    B|287:N=CA=CB=SG (CYS)
    -124.851    -180.000     -55.149      15.000      -3.677    A|287:N=CA=CB=SG (CYS)
    -114.730     -60.000      54.730      15.000       3.649    A|220:N=CA=CB=CG (MET)
     125.380     180.000      54.620      15.000       3.641    B|220:CA=CB=CG=SD (MET)
       5.856      60.000      54.144      15.000       3.610    B|215:N=CA=CB=CG (LEU)
    -126.265    -180.000     -53.735      15.000      -3.582    A|106:CA=CB=CG=CD (LYS)
    -126.622    -180.000     -53.378      15.000      -3.559    B|22:CG=CD=CE=NZ (LYS)
     113.378      60.000     -53.378      15.000      -3.559    B|154:N=CA=CB=CG2 (THR)
    -126.672    -180.000     -53.328      15.000      -3.555    A|289:N=CA=CB=CG (LEU)
    -126.736    -180.000     -53.264      15.000      -3.551    B|289:N=CA=CB=CG (LEU)
     113.129      60.000     -53.129      15.000      -3.542    A|234:CG=CD=CE=NZ (LYS)
     127.069     180.000      52.931      15.000       3.529    B|217:CA=CB=CG=CD (GLU)
    -112.834     -60.000      52.834      15.000       3.522    A|93:CA=CB=CG=CD2 (LEU)
     127.238     180.000      52.762      15.000       3.517    B|57:N=CA=CB=CG2 (ILE)
     127.520     180.000      52.480      15.000       3.499    A|111:CA=CB=CG=CD2 (LEU)
     127.919     180.000      52.081      15.000       3.472    B|111:CA=CB=CG=CD2 (LEU)
    -127.967    -180.000     -52.033      15.000      -3.469    B|242:N=CA=CB=CG2 (THR)
     128.023     180.000      51.977      15.000       3.465    B|104:CA=CB=CG=CD2 (LEU)
    -128.354    -180.000     -51.646      15.000      -3.443    A|60:N=CA=CB=CG (MET)
    -128.997    -180.000     -51.003      15.000      -3.400    B|60:N=CA=CB=CG (MET)
    -157.971     -90.000      67.971      20.000       3.399    A|186:CA=CB=CG=ND1 (HIS)
    -110.427     -60.000      50.427      15.000       3.362    A|181:N=CA=CB=CG (GLU)
    -110.118     -60.000      50.118      15.000       3.341    A|206:CB=CG=CD=CE (LYS)
     130.371     180.000      49.629      15.000       3.309    A|122:CA=CB=CG=CD (LYS)
    -109.612     -60.000      49.612      15.000       3.307    B|206:CB=CG=CD=CE (LYS)
    -109.394     -60.000      49.394      15.000       3.293    B|181:N=CA=CB=CG (GLU)
    -108.770     -60.000      48.770      15.000       3.251    A|184:CB=CG=CD=NE (ARG)
    -131.352    -180.000     -48.648      15.000      -3.243    A|275:CA=CB=CG=CD (ARG)
     131.374     180.000      48.626      15.000       3.242    A|16:CG=CD=CE=NZ (LYS)
    -131.688    -180.000     -48.312      15.000      -3.221    B|275:CA=CB=CG=CD (ARG)
    -108.153     -60.000      48.153      15.000       3.210    A|230:N=CA=CB=CG (LYS)
    -107.467     -60.000      47.467      15.000       3.164    A|223:N=CA=CB=CG (MET)
    -132.680    -180.000     -47.320      15.000      -3.155    A|186:N=CA=CB=CG (HIS)
    -132.777    -180.000     -47.223      15.000      -3.148    A|182:CA=CB=CG=CD2 (LEU)
    -133.113    -180.000     -46.887      15.000      -3.126    A|12:N=CA=CB=CG (LEU)
    -133.143    -180.000     -46.857      15.000      -3.124    B|182:CA=CB=CG=CD2 (LEU)
     106.433      60.000     -46.433      15.000      -3.096    B|260:CA=CB=CG=SD (MET)
    -133.627    -180.000     -46.373      15.000      -3.092    A|37:CB=CG=CD=NE (ARG)
    -106.203     -60.000      46.203      15.000       3.080    B|12:N=CA=CB=CG (LEU)
     133.935     180.000      46.065      15.000       3.071    A|94:CA=CB=CG=CD (GLU)
    -105.981     -60.000      45.981      15.000       3.065    B|31:N=CA=CB=CG (LEU)
    -105.924     -60.000      45.924      15.000       3.062    B|41:CA=CB=CG=CD2 (LEU)
    -105.881     -60.000      45.881      15.000       3.059    A|209:N=CA=CB=CG (GLU)
    -134.276    -180.000     -45.724      15.000      -3.048    B|37:CB=CG=CD=NE (ARG)
    -105.685     -60.000      45.685      15.000       3.046    B|181:CA=CB=CG=CD (GLU)
    -134.568    -180.000     -45.432      15.000      -3.029    B|260:N=CA=CB=CG (MET)
    -134.816    -180.000     -45.184      15.000      -3.012    B|208:N=CA=CB=CG (LEU)
    -105.053     -60.000      45.053      15.000       3.004    A|41:CA=CB=CG=CD2 (LEU)
 
 PLAN plane outliers, r.m.s. devia from the plane in Angs (ideal zero)
      Actual       Sigma   Act/Sigma
       0.110       0.020       5.515    A|186:C=A|186:CA=A|186:O=A|187:N=A|187:CA=A|187:CD
       0.065       0.020       3.233    A|185:C=A|185:CA=A|185:O=A|186:N=A|186:CA
 
 Ideal-contact distance outliers, distances in Angstroms
      Actual    ContactD       Delta       Sigma Delta/Sigma
       2.775       3.840       1.065       0.200       5.325    A|89:CG(GLU)=A|90:CG(PRO) symm: 1555=2675
       2.878       3.880       1.002       0.200       5.009    B|243:CG1(VAL)=B|247:CD1(LEU)
       2.859       3.860       1.001       0.200       5.007    A|87:CB(PRO)=A|247:CD2(LEU) symm: 1555=2675
       2.303       3.270       0.967       0.200       4.835    A|185:C(THR)=A|186:O(HIS)
       2.548       3.440       0.892       0.200       4.460    B|222:O(PHE)=B|223:CB(MET)
       2.982       3.870       0.888       0.200       4.438    B|215:CB(LEU)=B|216:CA(PRO)
       2.636       3.520       0.884       0.200       4.419    B|184:CG=NH1 (ARG)
       2.182       3.040       0.858       0.200       4.290    A|216:O(PRO)=A|217:O(GLU)
       2.350       3.190       0.840       0.200       4.199    A|186:O(HIS)=A|187:CD(PRO)
       2.650       3.470       0.820       0.200       4.099    B|218:O(GLU)=B|219:CB(THR)
       2.451       3.270       0.819       0.200       4.097    A|90:O(PRO)=A|91:C(SER)
       2.645       3.460       0.815       0.200       4.077    B|185:O=CG2 (THR)
       3.073       3.860       0.787       0.200       3.935    A|215:CD2(LEU)=A|220:CG(MET)
       2.258       3.040       0.782       0.200       3.910    B|219:O(THR)=B|222:O(PHE)
       2.675       3.440       0.765       0.200       3.827    A|93:O(LEU)=A|94:CB(GLU)
       2.911       3.670       0.759       0.200       3.793    B|215:CB(LEU)=B|216:C(PRO)
       2.833       3.590       0.757       0.200       3.784    B|111:CA=CD1 (LEU)
       2.835       3.590       0.755       0.200       3.773    A|111:CA=CD1 (LEU)
       2.538       3.270       0.732       0.200       3.659    A|216:C(PRO)=A|217:O(GLU)
       2.841       3.570       0.729       0.200       3.643    B|18:CA(VAL)=B|19:CD(PRO)
       2.813       3.540       0.727       0.200       3.634    B|122:CB=CE (LYS)
       3.115       3.840       0.725       0.200       3.624    B|89:CG(GLU)=B|90:CD(PRO)
       2.316       3.040       0.724       0.200       3.618    B|185:O(THR)=B|186:O(HIS)
       3.169       3.880       0.711       0.200       3.554    A|58:CD2(LEU)=A|104:CD2(LEU)
       2.888       3.590       0.702       0.200       3.509    A|247:CA=CD2 (LEU)
       3.121       3.820       0.699       0.200       3.497    A|215:CD2(LEU)=A|220:SD(MET)
       3.187       3.860       0.673       0.200       3.366    A|201:CG(LYS)=A|220:CE(MET)
       2.917       3.590       0.673       0.200       3.363    B|31:CA=CD2 (LEU)
       2.258       2.920       0.662       0.200       3.311    A|186:N=O (HIS)
       2.728       3.390       0.662       0.200       3.310    B|57:C=CG2 (ILE)
       2.933       3.590       0.657       0.200       3.286    A|289:CA=CD1 (LEU)
       3.218       3.870       0.652       0.200       3.258    B|186:CB(HIS)=B|187:CA(PRO)
       2.619       3.270       0.651       0.200       3.256    A|217:O(GLU)=A|218:C(GLU)
       2.941       3.590       0.649       0.200       3.245    B|289:CA=CD1 (LEU)
       3.243       3.880       0.637       0.200       3.183    A|208:CD1(LEU)=A|215:CD2(LEU)
       3.226       3.860       0.634       0.200       3.170    B|12:CD1(LEU)=B|19:CB(PRO)
       2.760       3.390       0.630       0.200       3.150    B|204:C=CG2 (ILE)
       2.767       3.390       0.623       0.200       3.117    A|204:C=CG2 (ILE)
       2.652       3.270       0.618       0.200       3.091    A|91:O(SER)=A|92:C(GLY)
       2.652       3.270       0.618       0.200       3.088    B|9:O(ARG)=B|10:C(PRO)
       2.427       3.040       0.613       0.200       3.067    A|86:O(ASP)=A|89:O(GLU)
       3.061       3.670       0.609       0.200       3.046    A|38:CB(PRO)=B|9:CZ(ARG) symm: 1555=1556
       2.945       3.550       0.605       0.200       3.024    B|86:N(ASP)=B|87:CA(PRO)
       2.986       3.590       0.604       0.200       3.021    B|12:CA=CD2 (LEU)
       2.670       3.270       0.600       0.200       3.001    A|86:O(ASP)=A|87:C(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)
             5.46                B|178:O (GLU)        
             5.01                B|207:CG1 (ILE)      
             4.97                A|7:O (THR)          
             4.79                B|207:CD1 (ILE)      
             4.78                A|183:CB (SER)       
             4.63                B|207:O (ILE)        
             4.46                A|156:N (ASP)        
             4.41                B|156:N (ASP)        
             4.39                A|183:OG (SER)       
             4.32                B|178:CB (GLU)       
             3.95                A|183:CA (SER)       
             3.71                B|178:C (GLU)        
             3.48                B|207:C (ILE)        
             3.48                A|7:C (THR)          
             3.12                B|207:CA (ILE)       
             3.06                B|207:CB (ILE)       
 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
            97.71                B|35:CG (GLN)        
            97.71                A|35:CG (GLN)        
            94.74                A|154:CG2 (THR)      
            94.74                B|154:CG2 (THR)      
            90.00                A|35:OE1 (GLN)       
            90.00                B|35:OE1 (GLN)       
            88.85                B|177:NE2 (GLN)      
            88.85                A|177:NE2 (GLN)      
            88.80                B|234:CG (LYS)       
            88.80                A|234:CG (LYS)       
            88.01                A|104:CD1 (LEU)      
            88.01                B|104:CD1 (LEU)      
            87.25                B|177:OE1 (GLN)      
            87.25                A|177:OE1 (GLN)      
            86.38                A|104:CD2 (LEU)      
            86.38                B|104:CD2 (LEU)      
            85.91                B|260:CG (MET)       
            85.91                A|260:CG (MET)       
            85.68                B|22:CG (LYS)        
            85.68                A|22:CG (LYS)        
            85.63                A|154:OG1 (THR)      
            85.63                B|154:OG1 (THR)      
            84.60                B|234:CD (LYS)       
            84.60                A|234:CD (LYS)       
            83.59                B|26:OE2 (GLU)       
            83.59                A|26:OE2 (GLU)       
            78.51                B|260:CE (MET)       
            78.51                A|260:CE (MET)       
            77.82                B|26:OE1 (GLU)       
            77.82                A|26:OE1 (GLU)       
            71.05                B|35:NE2 (GLN)       
            71.05                A|35:NE2 (GLN)       
            70.77                B|178:OE2 (GLU)      
            70.60                B|181:OE1 (GLU)      
            70.60                A|181:OE1 (GLU)      
            69.61                B|22:CE (LYS)        
            69.61                A|22:CE (LYS)        
            67.26                B|178:CD (GLU)       
            62.27                B|178:OE1 (GLU)      
            60.74                B|234:CE (LYS)       
            60.74                A|234:CE (LYS)       
  
 Atoms that make the largest contribution to overall function value. 
     Report the (function contribution)/(median contribution). Median=         9.865
        16.7     A|186:O(HIS)        
        16.0     A|186:C(HIS)        
        13.1     A|217:O(GLU)        
        13.1     A|187:CD(PRO)       
        12.5     A|187:N(PRO)        
        10.6     A|186:CA(HIS)       
        10.5     A|89:CG(GLU)        
        10.2     B|215:CB(LEU)       
        10.0     B|222:O(PHE)        
         9.6     A|187:CA(PRO)       
         9.6     A|90:CG(PRO)        
         9.6     A|185:C(THR)        
         9.3     A|215:CD2(LEU)      
         9.1     A|90:O(PRO)         
         9.0     A|86:N(ASP)         
         8.8     A|247:CD2(LEU)      
         8.5     A|186:N(HIS)        
         8.1     A|86:CA(ASP)        
         8.0     B|215:CA(LEU)       
         7.4     B|155:C(TRP)        
         7.4     A|87:CB(PRO)        
         7.4     B|187:CA(PRO)       
         7.2     B|185:O(THR)        
         7.0     A|91:C(SER)         
         6.9     A|216:O(PRO)        
         6.8     A|90:C(PRO)         
         6.8     B|86:CA(ASP)        
         6.8     B|186:CA(HIS)       
         6.7     B|243:CG1(VAL)      
         6.6     B|216:CA(PRO)       
         6.4     A|87:C(PRO)         
         6.4     A|85:C(ASN)         
         6.3     A|91:O(SER)         
         6.3     A|109:CA(LEU)       
         6.2     B|218:O(GLU)        
         6.1     B|184:CG(ARG)       
         6.1     A|93:O(LEU)         
         6.1     B|218:N(GLU)        
         6.0     A|86:O(ASP)         
         6.0     B|90:CD(PRO)        
         6.0     A|185:O(THR)        
         6.0     B|223:CB(MET)       
         6.0     A|216:C(PRO)        
         5.9     A|187:C(PRO)        
         5.9     B|186:C(HIS)        
         5.9     A|9:CA(ARG)         
         5.7     B|122:N(LYS)        
         5.7     B|10:C(PRO)         
         5.6     A|58:CD2(LEU)       
         5.6     A|10:C(PRO)         
         5.4     B|219:O(THR)        
         5.3     B|247:CD1(LEU)      
         5.3     B|219:CB(THR)       
         5.2     B|222:C(PHE)        
         5.2     A|218:C(GLU)        
         5.2     B|104:CD1(LEU)      
         5.2     A|94:CB(GLU)        
         5.1     B|86:C(ASP)         
         5.1     A|87:CA(PRO)        
         5.0     B|187:N(PRO)        
         5.0     B|204:C(ILE)        
         5.0     A|10:CA(PRO)        
         5.0     B|86:N(ASP)         
         5.0     B|218:CA(GLU)       
         5.0     A|188:N(VAL)        
         5.0     B|9:CA(ARG)         
         5.0     B|122:CB(LYS)       
         4.9     A|90:CD(PRO)        
         4.9     B|186:O(HIS)        
         4.8     A|204:C(ILE)        
         4.8     B|122:CA(LYS)       
         4.8     B|10:CA(PRO)        
         4.8     B|109:CA(LEU)       
         4.8     B|85:CA(ASN)        
         4.7     A|187:CB(PRO)       
         4.7     B|218:C(GLU)        
         4.7     B|9:O(ARG)          
         4.7     A|219:N(THR)        
         4.7     B|184:NH1(ARG)      
         4.6     B|155:CA(TRP)       
         4.5     A|247:CA(LEU)       
         4.5     B|57:CG2(ILE)       
         4.5     B|215:C(LEU)        
         4.5     A|84:C(VAL)         
         4.5     B|185:CG2(THR)      
         4.4     B|87:CA(PRO)        
         4.4     A|220:SD(MET)       
         4.3     B|12:CA(LEU)        
         4.3     A|11:C(PRO)         
         4.3     B|89:CA(GLU)        
         4.3     A|89:O(GLU)         
         4.3     B|222:CA(PHE)       
         4.2     B|18:CA(VAL)        
         4.2     A|46:CA(TYR)        
         4.2     B|46:CA(TYR)        
         4.2     A|215:CA(LEU)       
         4.2     B|185:C(THR)        
         4.2     B|101:CA(PRO)       
         4.2     A|111:CA(LEU)       
         4.2     A|104:CD2(LEU)      
 
 (maximum number of reports in this screen output set to     100)
 (delta/sigma cutoff in this screen output is set to     3.000)
