For BMRB entry 25505:

############################################################################
For conformer 1:

                   Atom      Original     Corrected        SPARTA    Difference
RESID 187 (Y):        N       120.720       120.720       116.891         3.829
RESID 187 (Y):       HA         4.340         4.340         4.665        -0.325
RESID 187 (Y):        C       176.218       176.218       176.059         0.159
RESID 187 (Y):       CA        58.970        58.970        58.018         0.952
RESID 187 (Y):       CB        38.401        38.401        38.057         0.344
RESID 187 (Y):        H         8.100         8.100         7.392         0.708
RESID 188 (Q):        N       120.417       120.417       122.084        -1.667
RESID 188 (Q):       HA         3.910         3.910         3.972        -0.062
RESID 188 (Q):        C       176.288       176.288       176.916        -0.628
RESID 188 (Q):       CA        56.782        56.782        58.414        -1.632
RESID 188 (Q):       CB        28.607        28.607        26.651         1.956
RESID 188 (Q):        H         8.170         8.170         8.064         0.106
RESID 189 (F):        N       120.153       120.153       116.910         3.243
RESID 189 (F):       HA         4.380         4.380         4.412        -0.032
RESID 189 (F):        C       176.196       176.196       177.113        -0.917
RESID 189 (F):       CA        59.003        59.003        58.667         0.336
RESID 189 (F):       CB        39.110        39.110        37.776         1.334
RESID 189 (F):        H         7.960         7.960         7.146         0.814
RESID 190 (W):        N       121.072       121.072       119.805         1.267
RESID 190 (W):       HA         4.500         4.500         4.954        -0.454
RESID 190 (W):        C       176.298       176.298       177.875        -1.577
RESID 190 (W):       CA        58.125        58.125        60.111        -1.986
RESID 190 (W):       CB        29.268        29.268        31.362        -2.094
RESID 190 (W):        H         7.880         7.880         8.738        -0.858
RESID 191 (K):        N       121.958       121.958       120.080         1.878
RESID 191 (K):       HA         3.950         3.950         4.312        -0.362
RESID 191 (K):        C       176.686       176.686       178.847        -2.161
RESID 191 (K):       CA        57.206        57.206        59.521        -2.315
RESID 191 (K):       CB        32.499        32.499        32.080         0.419
RESID 191 (K):        H         7.970         7.970         7.848         0.122
RESID 192 (N):        N       117.983       117.983       116.922         1.061
RESID 192 (N):       HA         4.520         4.520         4.558        -0.038
RESID 192 (N):        C       176.762       176.762       176.537         0.225
RESID 192 (N):       CA        53.752        53.752        55.543        -1.791
RESID 192 (N):       CB        38.448        38.448        38.521        -0.073
RESID 192 (N):        H         8.070         8.070         8.508        -0.438
RESID 193 (F):        N       120.529       120.529       118.127         2.402
RESID 193 (F):       HA         4.500         4.500         4.771        -0.271
RESID 193 (F):        C       175.348       175.348       176.768        -1.420
RESID 193 (F):       CA        58.480        58.480        57.865         0.615
RESID 193 (F):       CB        39.240        39.240        39.642        -0.401
RESID 193 (F):        H         8.030         8.030         7.596         0.434
RESID 194 (Q):        N       120.689       120.689       119.340         1.349
RESID 194 (Q):       HA         4.250         4.250         2.630         1.620
RESID 194 (Q):        C       175.890       175.890       175.822         0.068
RESID 194 (Q):       CA        56.257        56.257        56.913        -0.657
RESID 194 (Q):       CB        29.571        29.571        27.783         1.788
RESID 194 (Q):        H         8.190         8.190         7.352         0.838

                         N          HA           C          CA          CB           H
RESID 188 (Q):      -1.667      -0.062      -0.628      -1.632       1.956       0.106
RESID 189 (F):       3.243      -0.032      -0.917       0.336       1.334       0.814
RESID 190 (W):       1.267      -0.454      -1.577      -1.986      -2.094      -0.858
RESID 191 (K):       1.878      -0.362      -2.161      -2.315       0.419       0.122
RESID 192 (N):       1.061      -0.038       0.225      -1.791      -0.073      -0.438
RESID 193 (F):       2.402      -0.271      -1.420       0.615      -0.401       0.434
RESID 194 (Q):       1.349       1.620       0.068      -0.657       1.788       0.838

DATA CS_STAT_INFO  N  RMS:   2.286 ppm Count:   8 Average Difference: -1.670 +/- 1.668 ppm
DATA CS_STAT_INFO  HA RMS:   0.627 ppm Count:   8 Average Difference: -0.009 +/- 0.670 ppm
DATA CS_STAT_INFO  C  RMS:   1.145 ppm Count:   8 Average Difference:  0.781 +/- 0.895 ppm
DATA CS_STAT_INFO  CA RMS:   1.458 ppm Count:   8 Average Difference:  0.810 +/- 1.296 ppm
DATA CS_STAT_INFO  CB RMS:   1.306 ppm Count:   8 Average Difference: -0.409 +/- 1.326 ppm
DATA CS_STAT_INFO  HN RMS:   0.613 ppm Count:   8 Average Difference: -0.216 +/- 0.614 ppm


############################################################################
For conformer 2:

                   Atom      Original     Corrected        SPARTA    Difference
RESID 187 (Y):        N       120.720       120.720       116.679         4.041
RESID 187 (Y):       HA         4.340         4.340         3.783         0.557
RESID 187 (Y):        C       176.218       176.218       175.528         0.690
RESID 187 (Y):       CA        58.970        58.970        57.895         1.075
RESID 187 (Y):       CB        38.401        38.401        38.194         0.207
RESID 187 (Y):        H         8.100         8.100         7.659         0.441
RESID 188 (Q):        N       120.417       120.417       122.415        -1.998
RESID 188 (Q):       HA         3.910         3.910         3.616         0.294
RESID 188 (Q):        C       176.288       176.288       176.809        -0.521
RESID 188 (Q):       CA        56.782        56.782        58.012        -1.230
RESID 188 (Q):       CB        28.607        28.607        26.810         1.797
RESID 188 (Q):        H         8.170         8.170         8.593        -0.423
RESID 189 (F):        N       120.153       120.153       115.394         4.759
RESID 189 (F):       HA         4.380         4.380         4.454        -0.074
RESID 189 (F):        C       176.196       176.196       176.275        -0.079
RESID 189 (F):       CA        59.003        59.003        58.999         0.003
RESID 189 (F):       CB        39.110        39.110        37.730         1.380
RESID 189 (F):        H         7.960         7.960         6.892         1.068
RESID 190 (W):        N       121.072       121.072       118.606         2.466
RESID 190 (W):       HA         4.500         4.500         5.190        -0.690
RESID 190 (W):        C       176.298       176.298       177.719        -1.421
RESID 190 (W):       CA        58.125        58.125        57.363         0.762
RESID 190 (W):       CB        29.268        29.268        30.435        -1.167
RESID 190 (W):        H         7.880         7.880         7.866         0.014
RESID 191 (K):        N       121.958       121.958       123.032        -1.074
RESID 191 (K):       HA         3.950         3.950         2.978         0.972
RESID 191 (K):        C       176.686       176.686       177.628        -0.942
RESID 191 (K):       CA        57.206        57.206        58.506        -1.300
RESID 191 (K):       CB        32.499        32.499        31.127         1.372
RESID 191 (K):        H         7.970         7.970         6.435         1.535
RESID 192 (N):        N       117.983       117.983       116.966         1.017
RESID 192 (N):       HA         4.520         4.520         4.486         0.034
RESID 192 (N):        C       176.762       176.762       176.286         0.476
RESID 192 (N):       CA        53.752        53.752        55.015        -1.263
RESID 192 (N):       CB        38.448        38.448        38.390         0.058
RESID 192 (N):        H         8.070         8.070         8.047         0.023
RESID 193 (F):        N       120.529       120.529       118.648         1.881
RESID 193 (F):       HA         4.500         4.500         4.883        -0.383
RESID 193 (F):        C       175.348       175.348       176.796        -1.448
RESID 193 (F):       CA        58.480        58.480        57.830         0.651
RESID 193 (F):       CB        39.240        39.240        39.973        -0.733
RESID 193 (F):        H         8.030         8.030         7.684         0.346
RESID 194 (Q):        N       120.689       120.689       119.343         1.346
RESID 194 (Q):       HA         4.250         4.250         3.229         1.021
RESID 194 (Q):        C       175.890       175.890       176.030        -0.140
RESID 194 (Q):       CA        56.257        56.257        57.461        -1.204
RESID 194 (Q):       CB        29.571        29.571        28.432         1.139
RESID 194 (Q):        H         8.190         8.190         8.070         0.119

                         N          HA           C          CA          CB           H
RESID 188 (Q):      -1.998       0.294      -0.521      -1.230       1.797      -0.423
RESID 189 (F):       4.759      -0.074      -0.079       0.003       1.380       1.068
RESID 190 (W):       2.466      -0.690      -1.421       0.762      -1.167       0.014
RESID 191 (K):      -1.074       0.972      -0.942      -1.300       1.372       1.535
RESID 192 (N):       1.017       0.034       0.476      -1.263       0.058       0.023
RESID 193 (F):       1.881      -0.383      -1.448       0.651      -0.733       0.346
RESID 194 (Q):       1.346       1.021      -0.140      -1.204       1.139       0.119

DATA CS_STAT_INFO  N  RMS:   2.660 ppm Count:   8 Average Difference: -1.555 +/- 2.307 ppm
DATA CS_STAT_INFO  HA RMS:   0.614 ppm Count:   8 Average Difference: -0.216 +/- 0.614 ppm
DATA CS_STAT_INFO  C  RMS:   0.866 ppm Count:   8 Average Difference:  0.423 +/- 0.808 ppm
DATA CS_STAT_INFO  CA RMS:   1.025 ppm Count:   8 Average Difference:  0.313 +/- 1.043 ppm
DATA CS_STAT_INFO  CB RMS:   1.132 ppm Count:   8 Average Difference: -0.507 +/- 1.083 ppm
DATA CS_STAT_INFO  HN RMS:   0.707 ppm Count:   8 Average Difference: -0.390 +/- 0.631 ppm


############################################################################
For conformer 3:

                   Atom      Original     Corrected        SPARTA    Difference
RESID 187 (Y):        N       120.720       120.720       115.885         4.835
RESID 187 (Y):       HA         4.340         4.340         4.231         0.109
RESID 187 (Y):        C       176.218       176.218       175.283         0.935
RESID 187 (Y):       CA        58.970        58.970        58.140         0.830
RESID 187 (Y):       CB        38.401        38.401        37.659         0.742
RESID 187 (Y):        H         8.100         8.100         7.244         0.856
RESID 188 (Q):        N       120.417       120.417       121.530        -1.113
RESID 188 (Q):       HA         3.910         3.910         3.768         0.142
RESID 188 (Q):        C       176.288       176.288       176.573        -0.285
RESID 188 (Q):       CA        56.782        56.782        57.659        -0.877
RESID 188 (Q):       CB        28.607        28.607        26.541         2.066
RESID 188 (Q):        H         8.170         8.170         6.935         1.235
RESID 189 (F):        N       120.153       120.153       115.289         4.864
RESID 189 (F):       HA         4.380         4.380         4.290         0.090
RESID 189 (F):        C       176.196       176.196       176.258        -0.062
RESID 189 (F):       CA        59.003        59.003        58.542         0.461
RESID 189 (F):       CB        39.110        39.110        37.198         1.912
RESID 189 (F):        H         7.960         7.960         6.898         1.062
RESID 190 (W):        N       121.072       121.072       120.994         0.078
RESID 190 (W):       HA         4.500         4.500         5.183        -0.683
RESID 190 (W):        C       176.298       176.298       177.743        -1.445
RESID 190 (W):       CA        58.125        58.125        59.833        -1.708
RESID 190 (W):       CB        29.268        29.268        31.239        -1.971
RESID 190 (W):        H         7.880         7.880         7.828         0.052
RESID 191 (K):        N       121.958       121.958       120.470         1.488
RESID 191 (K):       HA         3.950         3.950         4.195        -0.245
RESID 191 (K):        C       176.686       176.686       178.417        -1.731
RESID 191 (K):       CA        57.206        57.206        59.352        -2.146
RESID 191 (K):       CB        32.499        32.499        32.192         0.307
RESID 191 (K):        H         7.970         7.970         7.916         0.054
RESID 192 (N):        N       117.983       117.983       118.039        -0.056
RESID 192 (N):       HA         4.520         4.520         4.462         0.058
RESID 192 (N):        C       176.762       176.762       176.607         0.155
RESID 192 (N):       CA        53.752        53.752        55.621        -1.869
RESID 192 (N):       CB        38.448        38.448        38.445         0.003
RESID 192 (N):        H         8.070         8.070         8.394        -0.324
RESID 193 (F):        N       120.529       120.529       117.092         3.437
RESID 193 (F):       HA         4.500         4.500         4.707        -0.207
RESID 193 (F):        C       175.348       175.348       176.640        -1.292
RESID 193 (F):       CA        58.480        58.480        57.532         0.948
RESID 193 (F):       CB        39.240        39.240        39.568        -0.328
RESID 193 (F):        H         8.030         8.030         7.432         0.598
RESID 194 (Q):        N       120.689       120.689       119.091         1.598
RESID 194 (Q):       HA         4.250         4.250         2.588         1.662
RESID 194 (Q):        C       175.890       175.890       175.771         0.119
RESID 194 (Q):       CA        56.257        56.257        57.160        -0.903
RESID 194 (Q):       CB        29.571        29.571        28.116         1.455
RESID 194 (Q):        H         8.190         8.190         7.110         1.080

                         N          HA           C          CA          CB           H
RESID 188 (Q):      -1.113       0.142      -0.285      -0.877       2.066       1.235
RESID 189 (F):       4.864       0.090      -0.062       0.461       1.912       1.062
RESID 190 (W):       0.078      -0.683      -1.445      -1.708      -1.971       0.052
RESID 191 (K):       1.488      -0.245      -1.731      -2.146       0.307       0.054
RESID 192 (N):      -0.056       0.058       0.155      -1.869       0.003      -0.324
RESID 193 (F):       3.437      -0.207      -1.292       0.948      -0.328       0.598
RESID 194 (Q):       1.598       1.662       0.119      -0.903       1.455       1.080

DATA CS_STAT_INFO  N  RMS:   2.847 ppm Count:   8 Average Difference: -1.891 +/- 2.276 ppm
DATA CS_STAT_INFO  HA RMS:   0.649 ppm Count:   8 Average Difference: -0.116 +/- 0.683 ppm
DATA CS_STAT_INFO  C  RMS:   0.984 ppm Count:   8 Average Difference:  0.451 +/- 0.935 ppm
DATA CS_STAT_INFO  CA RMS:   1.342 ppm Count:   8 Average Difference:  0.658 +/- 1.250 ppm
DATA CS_STAT_INFO  CB RMS:   1.354 ppm Count:   8 Average Difference: -0.523 +/- 1.336 ppm
DATA CS_STAT_INFO  HN RMS:   0.792 ppm Count:   8 Average Difference: -0.577 +/- 0.581 ppm


############################################################################
For conformer 4:

                   Atom      Original     Corrected        SPARTA    Difference
RESID 187 (Y):        N       120.720       120.720       117.168         3.552
RESID 187 (Y):       HA         4.340         4.340         3.906         0.434
RESID 187 (Y):        C       176.218       176.218       174.234         1.984
RESID 187 (Y):       CA        58.970        58.970        58.247         0.723
RESID 187 (Y):       CB        38.401        38.401        37.706         0.695
RESID 187 (Y):        H         8.100         8.100         7.396         0.704
RESID 188 (Q):        N       120.417       120.417       121.404        -0.987
RESID 188 (Q):       HA         3.910         3.910         2.507         1.403
RESID 188 (Q):        C       176.288       176.288       176.234         0.054
RESID 188 (Q):       CA        56.782        56.782        56.669         0.113
RESID 188 (Q):       CB        28.607        28.607        26.003         2.603
RESID 188 (Q):        H         8.170         8.170         7.805         0.365
RESID 189 (F):        N       120.153       120.153       115.442         4.711
RESID 189 (F):       HA         4.380         4.380         4.458        -0.078
RESID 189 (F):        C       176.196       176.196       176.152         0.044
RESID 189 (F):       CA        59.003        59.003        59.320        -0.317
RESID 189 (F):       CB        39.110        39.110        37.707         1.403
RESID 189 (F):        H         7.960         7.960         6.568         1.392
RESID 190 (W):        N       121.072       121.072       117.237         3.835
RESID 190 (W):       HA         4.500         4.500         3.722         0.778
RESID 190 (W):        C       176.298       176.298       176.605        -0.307
RESID 190 (W):       CA        58.125        58.125        56.169         1.956
RESID 190 (W):       CB        29.268        29.268        29.837        -0.569
RESID 190 (W):        H         7.880         7.880         6.981         0.899
RESID 191 (K):        N       121.958       121.958       122.808        -0.850
RESID 191 (K):       HA         3.950         3.950         3.537         0.413
RESID 191 (K):        C       176.686       176.686       177.604        -0.918
RESID 191 (K):       CA        57.206        57.206        58.227        -1.021
RESID 191 (K):       CB        32.499        32.499        30.845         1.654
RESID 191 (K):        H         7.970         7.970         5.792         2.178
RESID 192 (N):        N       117.983       117.983       117.444         0.539
RESID 192 (N):       HA         4.520         4.520         4.361         0.159
RESID 192 (N):        C       176.762       176.762       176.115         0.647
RESID 192 (N):       CA        53.752        53.752        55.189        -1.437
RESID 192 (N):       CB        38.448        38.448        38.288         0.160
RESID 192 (N):        H         8.070         8.070         8.001         0.069
RESID 193 (F):        N       120.529       120.529       114.965         5.564
RESID 193 (F):       HA         4.500         4.500         4.945        -0.445
RESID 193 (F):        C       175.348       175.348       176.874        -1.526
RESID 193 (F):       CA        58.480        58.480        57.608         0.871
RESID 193 (F):       CB        39.240        39.240        39.282        -0.042
RESID 193 (F):        H         8.030         8.030         7.008         1.022
RESID 194 (Q):        N       120.689       120.689       120.529         0.160
RESID 194 (Q):       HA         4.250         4.250         4.267        -0.017
RESID 194 (Q):        C       175.890       175.890       177.136        -1.246
RESID 194 (Q):       CA        56.257        56.257        58.325        -2.068
RESID 194 (Q):       CB        29.571        29.571        28.670         0.901
RESID 194 (Q):        H         8.190         8.190         7.585         0.605

                         N          HA           C          CA          CB           H
RESID 188 (Q):      -0.987       1.403       0.054       0.113       2.603       0.365
RESID 189 (F):       4.711      -0.078       0.044      -0.317       1.403       1.392
RESID 190 (W):       3.835       0.778      -0.307       1.956      -0.569       0.899
RESID 191 (K):      -0.850       0.413      -0.918      -1.021       1.654       2.178
RESID 192 (N):       0.539       0.159       0.647      -1.437       0.160       0.069
RESID 193 (F):       5.564      -0.445      -1.526       0.871      -0.042       1.022
RESID 194 (Q):       0.160      -0.017      -1.246      -2.068       0.901       0.605

DATA CS_STAT_INFO  N  RMS:   3.211 ppm Count:   8 Average Difference: -2.066 +/- 2.628 ppm
DATA CS_STAT_INFO  HA RMS:   0.629 ppm Count:   8 Average Difference: -0.331 +/- 0.572 ppm
DATA CS_STAT_INFO  C  RMS:   1.071 ppm Count:   8 Average Difference:  0.158 +/- 1.132 ppm
DATA CS_STAT_INFO  CA RMS:   1.255 ppm Count:   8 Average Difference:  0.147 +/- 1.333 ppm
DATA CS_STAT_INFO  CB RMS:   1.281 ppm Count:   8 Average Difference: -0.851 +/- 1.024 ppm
DATA CS_STAT_INFO  HN RMS:   1.092 ppm Count:   8 Average Difference: -0.904 +/- 0.654 ppm


############################################################################
For conformer 5:

                   Atom      Original     Corrected        SPARTA    Difference
RESID 187 (Y):        N       120.720       120.720       118.635         2.085
RESID 187 (Y):       HA         4.340         4.340         4.619        -0.279
RESID 187 (Y):        C       176.218       176.218       175.878         0.340
RESID 187 (Y):       CA        58.970        58.970        58.388         0.583
RESID 187 (Y):       CB        38.401        38.401        38.328         0.073
RESID 187 (Y):        H         8.100         8.100         8.035         0.065
RESID 188 (Q):        N       120.417       120.417       121.526        -1.109
RESID 188 (Q):       HA         3.910         3.910         3.598         0.312
RESID 188 (Q):        C       176.288       176.288       176.731        -0.443
RESID 188 (Q):       CA        56.782        56.782        58.113        -1.331
RESID 188 (Q):       CB        28.607        28.607        26.689         1.918
RESID 188 (Q):        H         8.170         8.170         8.568        -0.398
RESID 189 (F):        N       120.153       120.153       117.057         3.096
RESID 189 (F):       HA         4.380         4.380         4.317         0.063
RESID 189 (F):        C       176.196       176.196       176.941        -0.745
RESID 189 (F):       CA        59.003        59.003        58.799         0.204
RESID 189 (F):       CB        39.110        39.110        37.582         1.528
RESID 189 (F):        H         7.960         7.960         7.108         0.852
RESID 190 (W):        N       121.072       121.072       119.525         1.547
RESID 190 (W):       HA         4.500         4.500         5.024        -0.524
RESID 190 (W):        C       176.298       176.298       177.391        -1.093
RESID 190 (W):       CA        58.125        58.125        59.880        -1.755
RESID 190 (W):       CB        29.268        29.268        30.671        -1.403
RESID 190 (W):        H         7.880         7.880         8.372        -0.492
RESID 191 (K):        N       121.958       121.958       120.202         1.756
RESID 191 (K):       HA         3.950         3.950         4.217        -0.267
RESID 191 (K):        C       176.686       176.686       178.186        -1.500
RESID 191 (K):       CA        57.206        57.206        60.526        -3.321
RESID 191 (K):       CB        32.499        32.499        32.618        -0.119
RESID 191 (K):        H         7.970         7.970         7.675         0.295
RESID 192 (N):        N       117.983       117.983       118.598        -0.615
RESID 192 (N):       HA         4.520         4.520         4.473         0.047
RESID 192 (N):        C       176.762       176.762       176.521         0.241
RESID 192 (N):       CA        53.752        53.752        55.834        -2.082
RESID 192 (N):       CB        38.448        38.448        38.420         0.028
RESID 192 (N):        H         8.070         8.070         8.456        -0.386
RESID 193 (F):        N       120.529       120.529       115.635         4.894
RESID 193 (F):       HA         4.500         4.500         4.789        -0.289
RESID 193 (F):        C       175.348       175.348       176.535        -1.187
RESID 193 (F):       CA        58.480        58.480        58.009         0.471
RESID 193 (F):       CB        39.240        39.240        39.411        -0.171
RESID 193 (F):        H         8.030         8.030         7.660         0.370
RESID 194 (Q):        N       120.689       120.689       119.467         1.222
RESID 194 (Q):       HA         4.250         4.250         2.670         1.580
RESID 194 (Q):        C       175.890       175.890       176.711        -0.821
RESID 194 (Q):       CA        56.257        56.257        57.297        -1.040
RESID 194 (Q):       CB        29.571        29.571        27.656         1.915
RESID 194 (Q):        H         8.190         8.190         6.637         1.553

                         N          HA           C          CA          CB           H
RESID 188 (Q):      -1.109       0.312      -0.443      -1.331       1.918      -0.398
RESID 189 (F):       3.096       0.063      -0.745       0.204       1.528       0.852
RESID 190 (W):       1.547      -0.524      -1.093      -1.755      -1.403      -0.492
RESID 191 (K):       1.756      -0.267      -1.500      -3.321      -0.119       0.295
RESID 192 (N):      -0.615       0.047       0.241      -2.082       0.028      -0.386
RESID 193 (F):       4.894      -0.289      -1.187       0.471      -0.171       0.370
RESID 194 (Q):       1.222       1.580      -0.821      -1.040       1.915       1.553

DATA CS_STAT_INFO  N  RMS:   2.410 ppm Count:   8 Average Difference: -1.609 +/- 1.918 ppm
DATA CS_STAT_INFO  HA RMS:   0.623 ppm Count:   8 Average Difference: -0.080 +/- 0.661 ppm
DATA CS_STAT_INFO  C  RMS:   0.898 ppm Count:   8 Average Difference:  0.651 +/- 0.661 ppm
DATA CS_STAT_INFO  CA RMS:   1.654 ppm Count:   8 Average Difference:  1.034 +/- 1.381 ppm
DATA CS_STAT_INFO  CB RMS:   1.209 ppm Count:   8 Average Difference: -0.471 +/- 1.191 ppm
DATA CS_STAT_INFO  HN RMS:   0.700 ppm Count:   8 Average Difference: -0.232 +/- 0.705 ppm


############################################################################
For conformer 6:

                   Atom      Original     Corrected        SPARTA    Difference
RESID 187 (Y):        N       120.720       120.720       116.867         3.853
RESID 187 (Y):       HA         4.340         4.340         3.776         0.564
RESID 187 (Y):        C       176.218       176.218       175.549         0.669
RESID 187 (Y):       CA        58.970        58.970        57.997         0.973
RESID 187 (Y):       CB        38.401        38.401        37.801         0.600
RESID 187 (Y):        H         8.100         8.100         7.704         0.396
RESID 188 (Q):        N       120.417       120.417       123.103        -2.686
RESID 188 (Q):       HA         3.910         3.910         4.063        -0.153
RESID 188 (Q):        C       176.288       176.288       176.959        -0.671
RESID 188 (Q):       CA        56.782        56.782        58.201        -1.419
RESID 188 (Q):       CB        28.607        28.607        26.893         1.714
RESID 188 (Q):        H         8.170         8.170         8.769        -0.599
RESID 189 (F):        N       120.153       120.153       114.780         5.373
RESID 189 (F):       HA         4.380         4.380         4.451        -0.071
RESID 189 (F):        C       176.196       176.196       176.500        -0.304
RESID 189 (F):       CA        59.003        59.003        58.587         0.416
RESID 189 (F):       CB        39.110        39.110        37.435         1.675
RESID 189 (F):        H         7.960         7.960         6.996         0.964
RESID 190 (W):        N       121.072       121.072       121.588        -0.516
RESID 190 (W):       HA         4.500         4.500         5.226        -0.726
RESID 190 (W):        C       176.298       176.298       177.841        -1.543
RESID 190 (W):       CA        58.125        58.125        60.172        -2.047
RESID 190 (W):       CB        29.268        29.268        31.237        -1.969
RESID 190 (W):        H         7.880         7.880         8.396        -0.516
RESID 191 (K):        N       121.958       121.958       120.379         1.579
RESID 191 (K):       HA         3.950         3.950         4.263        -0.313
RESID 191 (K):        C       176.686       176.686       178.386        -1.700
RESID 191 (K):       CA        57.206        57.206        59.950        -2.744
RESID 191 (K):       CB        32.499        32.499        32.451         0.048
RESID 191 (K):        H         7.970         7.970         7.807         0.163
RESID 192 (N):        N       117.983       117.983       118.395        -0.412
RESID 192 (N):       HA         4.520         4.520         4.515         0.005
RESID 192 (N):        C       176.762       176.762       176.453         0.309
RESID 192 (N):       CA        53.752        53.752        55.651        -1.899
RESID 192 (N):       CB        38.448        38.448        38.548        -0.100
RESID 192 (N):        H         8.070         8.070         8.531        -0.461
RESID 193 (F):        N       120.529       120.529       117.025         3.504
RESID 193 (F):       HA         4.500         4.500         4.788        -0.288
RESID 193 (F):        C       175.348       175.348       176.421        -1.073
RESID 193 (F):       CA        58.480        58.480        57.640         0.840
RESID 193 (F):       CB        39.240        39.240        39.700        -0.460
RESID 193 (F):        H         8.030         8.030         7.512         0.518
RESID 194 (Q):        N       120.689       120.689       118.613         2.076
RESID 194 (Q):       HA         4.250         4.250         2.592         1.658
RESID 194 (Q):        C       175.890       175.890       176.052        -0.162
RESID 194 (Q):       CA        56.257        56.257        56.950        -0.693
RESID 194 (Q):       CB        29.571        29.571        27.776         1.795
RESID 194 (Q):        H         8.190         8.190         7.144         1.046

                         N          HA           C          CA          CB           H
RESID 188 (Q):      -2.686      -0.153      -0.671      -1.419       1.714      -0.599
RESID 189 (F):       5.373      -0.071      -0.304       0.416       1.675       0.964
RESID 190 (W):      -0.516      -0.726      -1.543      -2.047      -1.969      -0.516
RESID 191 (K):       1.579      -0.313      -1.700      -2.744       0.048       0.163
RESID 192 (N):      -0.412       0.005       0.309      -1.899      -0.100      -0.461
RESID 193 (F):       3.504      -0.288      -1.073       0.840      -0.460       0.518
RESID 194 (Q):       2.076       1.658      -0.162      -0.693       1.795       1.046

DATA CS_STAT_INFO  N  RMS:   2.967 ppm Count:   8 Average Difference: -1.596 +/- 2.674 ppm
DATA CS_STAT_INFO  HA RMS:   0.690 ppm Count:   8 Average Difference: -0.084 +/- 0.732 ppm
DATA CS_STAT_INFO  C  RMS:   0.970 ppm Count:   8 Average Difference:  0.559 +/- 0.848 ppm
DATA CS_STAT_INFO  CA RMS:   1.567 ppm Count:   8 Average Difference:  0.822 +/- 1.426 ppm
DATA CS_STAT_INFO  CB RMS:   1.295 ppm Count:   8 Average Difference: -0.413 +/- 1.313 ppm
DATA CS_STAT_INFO  HN RMS:   0.643 ppm Count:   8 Average Difference: -0.189 +/- 0.658 ppm


############################################################################
For conformer 7:

                   Atom      Original     Corrected        SPARTA    Difference
RESID 187 (Y):        N       120.720       120.720       117.587         3.133
RESID 187 (Y):       HA         4.340         4.340         4.547        -0.207
RESID 187 (Y):        C       176.218       176.218       176.426        -0.208
RESID 187 (Y):       CA        58.970        58.970        58.141         0.829
RESID 187 (Y):       CB        38.401        38.401        38.288         0.113
RESID 187 (Y):        H         8.100         8.100         7.143         0.957
RESID 188 (Q):        N       120.417       120.417       121.481        -1.064
RESID 188 (Q):       HA         3.910         3.910         4.080        -0.170
RESID 188 (Q):        C       176.288       176.288       177.528        -1.240
RESID 188 (Q):       CA        56.782        56.782        58.607        -1.825
RESID 188 (Q):       CB        28.607        28.607        27.446         1.161
RESID 188 (Q):        H         8.170         8.170         8.691        -0.521
RESID 189 (F):        N       120.153       120.153       117.706         2.447
RESID 189 (F):       HA         4.380         4.380         4.346         0.034
RESID 189 (F):        C       176.196       176.196       177.203        -1.007
RESID 189 (F):       CA        59.003        59.003        59.074        -0.071
RESID 189 (F):       CB        39.110        39.110        37.736         1.374
RESID 189 (F):        H         7.960         7.960         7.367         0.593
RESID 190 (W):        N       121.072       121.072       118.868         2.204
RESID 190 (W):       HA         4.500         4.500         4.970        -0.470
RESID 190 (W):        C       176.298       176.298       177.675        -1.377
RESID 190 (W):       CA        58.125        58.125        59.587        -1.462
RESID 190 (W):       CB        29.268        29.268        31.286        -2.018
RESID 190 (W):        H         7.880         7.880         8.587        -0.707
RESID 191 (K):        N       121.958       121.958       120.358         1.600
RESID 191 (K):       HA         3.950         3.950         4.335        -0.385
RESID 191 (K):        C       176.686       176.686       178.711        -2.025
RESID 191 (K):       CA        57.206        57.206        58.953        -1.747
RESID 191 (K):       CB        32.499        32.499        31.869         0.630
RESID 191 (K):        H         7.970         7.970         7.767         0.203
RESID 192 (N):        N       117.983       117.983       117.208         0.775
RESID 192 (N):       HA         4.520         4.520         4.521        -0.001
RESID 192 (N):        C       176.762       176.762       176.538         0.224
RESID 192 (N):       CA        53.752        53.752        55.514        -1.762
RESID 192 (N):       CB        38.448        38.448        38.468        -0.020
RESID 192 (N):        H         8.070         8.070         8.400        -0.330
RESID 193 (F):        N       120.529       120.529       118.170         2.359
RESID 193 (F):       HA         4.500         4.500         4.724        -0.224
RESID 193 (F):        C       175.348       175.348       176.623        -1.275
RESID 193 (F):       CA        58.480        58.480        57.877         0.603
RESID 193 (F):       CB        39.240        39.240        39.602        -0.362
RESID 193 (F):        H         8.030         8.030         7.511         0.519
RESID 194 (Q):        N       120.689       120.689       118.803         1.886
RESID 194 (Q):       HA         4.250         4.250         2.550         1.700
RESID 194 (Q):        C       175.890       175.890       176.069        -0.179
RESID 194 (Q):       CA        56.257        56.257        56.849        -0.592
RESID 194 (Q):       CB        29.571        29.571        27.432         2.139
RESID 194 (Q):        H         8.190         8.190         7.162         1.028

                         N          HA           C          CA          CB           H
RESID 188 (Q):      -1.064      -0.170      -1.240      -1.825       1.161      -0.521
RESID 189 (F):       2.447       0.034      -1.007      -0.071       1.374       0.593
RESID 190 (W):       2.204      -0.470      -1.377      -1.462      -2.018      -0.707
RESID 191 (K):       1.600      -0.385      -2.025      -1.747       0.630       0.203
RESID 192 (N):       0.775      -0.001       0.224      -1.762      -0.020      -0.330
RESID 193 (F):       2.359      -0.224      -1.275       0.603      -0.362       0.519
RESID 194 (Q):       1.886       1.700      -0.179      -0.592       2.139       1.028

DATA CS_STAT_INFO  N  RMS:   2.064 ppm Count:   8 Average Difference: -1.668 +/- 1.300 ppm
DATA CS_STAT_INFO  HA RMS:   0.650 ppm Count:   8 Average Difference: -0.034 +/- 0.694 ppm
DATA CS_STAT_INFO  C  RMS:   1.135 ppm Count:   8 Average Difference:  0.886 +/- 0.758 ppm
DATA CS_STAT_INFO  CA RMS:   1.276 ppm Count:   8 Average Difference:  0.753 +/- 1.101 ppm
DATA CS_STAT_INFO  CB RMS:   1.246 ppm Count:   8 Average Difference: -0.377 +/- 1.270 ppm
DATA CS_STAT_INFO  HN RMS:   0.663 ppm Count:   8 Average Difference: -0.218 +/- 0.669 ppm


############################################################################
For conformer 8:

                   Atom      Original     Corrected        SPARTA    Difference
RESID 187 (Y):        N       120.720       120.720       120.975        -0.255
RESID 187 (Y):       HA         4.340         4.340         4.411        -0.071
RESID 187 (Y):        C       176.218       176.218       177.137        -0.919
RESID 187 (Y):       CA        58.970        58.970        59.642        -0.673
RESID 187 (Y):       CB        38.401        38.401        38.088         0.313
RESID 187 (Y):        H         8.100         8.100         7.901         0.199
RESID 188 (Q):        N       120.417       120.417       118.344         2.073
RESID 188 (Q):       HA         3.910         3.910         3.414         0.496
RESID 188 (Q):        C       176.288       176.288       177.580        -1.292
RESID 188 (Q):       CA        56.782        56.782        57.873        -1.091
RESID 188 (Q):       CB        28.607        28.607        26.870         1.737
RESID 188 (Q):        H         8.170         8.170         7.460         0.710
RESID 189 (F):        N       120.153       120.153       117.003         3.150
RESID 189 (F):       HA         4.380         4.380         4.311         0.069
RESID 189 (F):        C       176.196       176.196       176.962        -0.766
RESID 189 (F):       CA        59.003        59.003        58.641         0.362
RESID 189 (F):       CB        39.110        39.110        37.503         1.607
RESID 189 (F):        H         7.960         7.960         7.695         0.265
RESID 190 (W):        N       121.072       121.072       119.738         1.334
RESID 190 (W):       HA         4.500         4.500         4.986        -0.486
RESID 190 (W):        C       176.298       176.298       177.766        -1.468
RESID 190 (W):       CA        58.125        58.125        60.100        -1.975
RESID 190 (W):       CB        29.268        29.268        30.810        -1.542
RESID 190 (W):        H         7.880         7.880         7.647         0.233
RESID 191 (K):        N       121.958       121.958       120.394         1.564
RESID 191 (K):       HA         3.950         3.950         4.307        -0.357
RESID 191 (K):        C       176.686       176.686       178.311        -1.625
RESID 191 (K):       CA        57.206        57.206        60.599        -3.393
RESID 191 (K):       CB        32.499        32.499        32.688        -0.189
RESID 191 (K):        H         7.970         7.970         7.824         0.146
RESID 192 (N):        N       117.983       117.983       118.456        -0.473
RESID 192 (N):       HA         4.520         4.520         4.501         0.019
RESID 192 (N):        C       176.762       176.762       176.388         0.374
RESID 192 (N):       CA        53.752        53.752        55.644        -1.892
RESID 192 (N):       CB        38.448        38.448        38.502        -0.054
RESID 192 (N):        H         8.070         8.070         8.593        -0.523
RESID 193 (F):        N       120.529       120.529       117.230         3.299
RESID 193 (F):       HA         4.500         4.500         4.752        -0.252
RESID 193 (F):        C       175.348       175.348       176.578        -1.230
RESID 193 (F):       CA        58.480        58.480        57.727         0.753
RESID 193 (F):       CB        39.240        39.240        39.560        -0.320
RESID 193 (F):        H         8.030         8.030         7.467         0.563
RESID 194 (Q):        N       120.689       120.689       119.265         1.424
RESID 194 (Q):       HA         4.250         4.250         2.662         1.588
RESID 194 (Q):        C       175.890       175.890       175.734         0.156
RESID 194 (Q):       CA        56.257        56.257        56.814        -0.557
RESID 194 (Q):       CB        29.571        29.571        27.559         2.012
RESID 194 (Q):        H         8.190         8.190         6.999         1.191

                         N          HA           C          CA          CB           H
RESID 188 (Q):       2.073       0.496      -1.292      -1.091       1.737       0.710
RESID 189 (F):       3.150       0.069      -0.766       0.362       1.607       0.265
RESID 190 (W):       1.334      -0.486      -1.468      -1.975      -1.542       0.233
RESID 191 (K):       1.564      -0.357      -1.625      -3.393      -0.189       0.146
RESID 192 (N):      -0.473       0.019       0.374      -1.892      -0.054      -0.523
RESID 193 (F):       3.299      -0.252      -1.230       0.753      -0.320       0.563
RESID 194 (Q):       1.424       1.588       0.156      -0.557       2.012       1.191

DATA CS_STAT_INFO  N  RMS:   1.989 ppm Count:   8 Average Difference: -1.515 +/- 1.378 ppm
DATA CS_STAT_INFO  HA RMS:   0.633 ppm Count:   8 Average Difference: -0.126 +/- 0.663 ppm
DATA CS_STAT_INFO  C  RMS:   1.094 ppm Count:   8 Average Difference:  0.846 +/- 0.741 ppm
DATA CS_STAT_INFO  CA RMS:   1.645 ppm Count:   8 Average Difference:  1.058 +/- 1.346 ppm
DATA CS_STAT_INFO  CB RMS:   1.238 ppm Count:   8 Average Difference: -0.445 +/- 1.235 ppm
DATA CS_STAT_INFO  HN RMS:   0.581 ppm Count:   8 Average Difference: -0.348 +/- 0.497 ppm


############################################################################
For conformer 9:

                   Atom      Original     Corrected        SPARTA    Difference
RESID 187 (Y):        N       120.720       120.720       118.709         2.011
RESID 187 (Y):       HA         4.340         4.340         4.745        -0.405
RESID 187 (Y):        C       176.218       176.218       176.204         0.014
RESID 187 (Y):       CA        58.970        58.970        59.007        -0.037
RESID 187 (Y):       CB        38.401        38.401        38.175         0.226
RESID 187 (Y):        H         8.100         8.100         7.964         0.136
RESID 188 (Q):        N       120.417       120.417       119.906         0.511
RESID 188 (Q):       HA         3.910         3.910         2.777         1.133
RESID 188 (Q):        C       176.288       176.288       176.957        -0.669
RESID 188 (Q):       CA        56.782        56.782        57.821        -1.039
RESID 188 (Q):       CB        28.607        28.607        26.408         2.199
RESID 188 (Q):        H         8.170         8.170         8.197        -0.027
RESID 189 (F):        N       120.153       120.153       118.187         1.966
RESID 189 (F):       HA         4.380         4.380         4.289         0.091
RESID 189 (F):        C       176.196       176.196       176.795        -0.599
RESID 189 (F):       CA        59.003        59.003        59.267        -0.264
RESID 189 (F):       CB        39.110        39.110        37.760         1.350
RESID 189 (F):        H         7.960         7.960         7.057         0.903
RESID 190 (W):        N       121.072       121.072       116.317         4.755
RESID 190 (W):       HA         4.500         4.500         5.090        -0.590
RESID 190 (W):        C       176.298       176.298       177.103        -0.805
RESID 190 (W):       CA        58.125        58.125        57.105         1.020
RESID 190 (W):       CB        29.268        29.268        30.043        -0.775
RESID 190 (W):        H         7.880         7.880         7.824         0.056
RESID 191 (K):        N       121.958       121.958       123.141        -1.183
RESID 191 (K):       HA         3.950         3.950         2.870         1.080
RESID 191 (K):        C       176.686       176.686       177.466        -0.780
RESID 191 (K):       CA        57.206        57.206        58.509        -1.303
RESID 191 (K):       CB        32.499        32.499        30.864         1.635
RESID 191 (K):        H         7.970         7.970         6.087         1.883
RESID 192 (N):        N       117.983       117.983       117.393         0.590
RESID 192 (N):       HA         4.520         4.520         4.359         0.161
RESID 192 (N):        C       176.762       176.762       176.521         0.241
RESID 192 (N):       CA        53.752        53.752        55.366        -1.614
RESID 192 (N):       CB        38.448        38.448        38.193         0.255
RESID 192 (N):        H         8.070         8.070         7.968         0.102
RESID 193 (F):        N       120.529       120.529       117.659         2.870
RESID 193 (F):       HA         4.500         4.500         4.865        -0.365
RESID 193 (F):        C       175.348       175.348       176.651        -1.303
RESID 193 (F):       CA        58.480        58.480        57.514         0.966
RESID 193 (F):       CB        39.240        39.240        39.777        -0.537
RESID 193 (F):        H         8.030         8.030         7.281         0.749
RESID 194 (Q):        N       120.689       120.689       119.397         1.292
RESID 194 (Q):       HA         4.250         4.250         3.486         0.764
RESID 194 (Q):        C       175.890       175.890       176.412        -0.522
RESID 194 (Q):       CA        56.257        56.257        57.487        -1.230
RESID 194 (Q):       CB        29.571        29.571        28.076         1.495
RESID 194 (Q):        H         8.190         8.190         7.478         0.712

                         N          HA           C          CA          CB           H
RESID 188 (Q):       0.511       1.133      -0.669      -1.039       2.199      -0.027
RESID 189 (F):       1.966       0.091      -0.599      -0.264       1.350       0.903
RESID 190 (W):       4.755      -0.590      -0.805       1.020      -0.775       0.056
RESID 191 (K):      -1.183       1.080      -0.780      -1.303       1.635       1.883
RESID 192 (N):       0.590       0.161       0.241      -1.614       0.255       0.102
RESID 193 (F):       2.870      -0.365      -1.303       0.966      -0.537       0.749
RESID 194 (Q):       1.292       0.764      -0.522      -1.230       1.495       0.712

DATA CS_STAT_INFO  N  RMS:   2.303 ppm Count:   8 Average Difference: -1.602 +/- 1.769 ppm
DATA CS_STAT_INFO  HA RMS:   0.681 ppm Count:   8 Average Difference: -0.234 +/- 0.684 ppm
DATA CS_STAT_INFO  C  RMS:   0.715 ppm Count:   8 Average Difference:  0.553 +/- 0.485 ppm
DATA CS_STAT_INFO  CA RMS:   1.057 ppm Count:   8 Average Difference:  0.438 +/- 1.029 ppm
DATA CS_STAT_INFO  CB RMS:   1.254 ppm Count:   8 Average Difference: -0.731 +/- 1.089 ppm
DATA CS_STAT_INFO  HN RMS:   0.826 ppm Count:   8 Average Difference: -0.564 +/- 0.645 ppm


############################################################################
For conformer 10:

                   Atom      Original     Corrected        SPARTA    Difference
RESID 187 (Y):        N       120.720       120.720       116.754         3.966
RESID 187 (Y):       HA         4.340         4.340         4.696        -0.356
RESID 187 (Y):        C       176.218       176.218       175.044         1.174
RESID 187 (Y):       CA        58.970        58.970        58.451         0.519
RESID 187 (Y):       CB        38.401        38.401        37.877         0.524
RESID 187 (Y):        H         8.100         8.100         7.522         0.578
RESID 188 (Q):        N       120.417       120.417       120.278         0.139
RESID 188 (Q):       HA         3.910         3.910         2.790         1.120
RESID 188 (Q):        C       176.288       176.288       176.602        -0.314
RESID 188 (Q):       CA        56.782        56.782        56.967        -0.184
RESID 188 (Q):       CB        28.607        28.607        25.992         2.615
RESID 188 (Q):        H         8.170         8.170         7.301         0.869
RESID 189 (F):        N       120.153       120.153       119.610         0.543
RESID 189 (F):       HA         4.380         4.380         4.116         0.264
RESID 189 (F):        C       176.196       176.196       177.242        -1.046
RESID 189 (F):       CA        59.003        59.003        60.737        -1.734
RESID 189 (F):       CB        39.110        39.110        37.874         1.236
RESID 189 (F):        H         7.960         7.960         7.007         0.953
RESID 190 (W):        N       121.072       121.072       115.729         5.343
RESID 190 (W):       HA         4.500         4.500         4.103         0.397
RESID 190 (W):        C       176.298       176.298       177.050        -0.752
RESID 190 (W):       CA        58.125        58.125        56.424         1.701
RESID 190 (W):       CB        29.268        29.268        29.542        -0.274
RESID 190 (W):        H         7.880         7.880         7.079         0.801
RESID 191 (K):        N       121.958       121.958       123.102        -1.144
RESID 191 (K):       HA         3.950         3.950         4.009        -0.059
RESID 191 (K):        C       176.686       176.686       177.695        -1.009
RESID 191 (K):       CA        57.206        57.206        59.002        -1.796
RESID 191 (K):       CB        32.499        32.499        31.114         1.385
RESID 191 (K):        H         7.970         7.970         6.170         1.800
RESID 192 (N):        N       117.983       117.983       117.152         0.831
RESID 192 (N):       HA         4.520         4.520         4.348         0.172
RESID 192 (N):        C       176.762       176.762       176.374         0.388
RESID 192 (N):       CA        53.752        53.752        55.188        -1.436
RESID 192 (N):       CB        38.448        38.448        38.359         0.089
RESID 192 (N):        H         8.070         8.070         7.568         0.502
RESID 193 (F):        N       120.529       120.529       113.242         7.287
RESID 193 (F):       HA         4.500         4.500         4.896        -0.396
RESID 193 (F):        C       175.348       175.348       176.674        -1.326
RESID 193 (F):       CA        58.480        58.480        57.251         1.229
RESID 193 (F):       CB        39.240        39.240        39.078         0.162
RESID 193 (F):        H         8.030         8.030         6.903         1.127
RESID 194 (Q):        N       120.689       120.689       121.284        -0.595
RESID 194 (Q):       HA         4.250         4.250         4.245         0.005
RESID 194 (Q):        C       175.890       175.890       176.871        -0.981
RESID 194 (Q):       CA        56.257        56.257        58.947        -2.690
RESID 194 (Q):       CB        29.571        29.571        29.085         0.486
RESID 194 (Q):        H         8.190         8.190         8.319        -0.129

                         N          HA           C          CA          CB           H
RESID 188 (Q):       0.139       1.120      -0.314      -0.184       2.615       0.869
RESID 189 (F):       0.543       0.264      -1.046      -1.734       1.236       0.953
RESID 190 (W):       5.343       0.397      -0.752       1.701      -0.274       0.801
RESID 191 (K):      -1.144      -0.059      -1.009      -1.796       1.385       1.800
RESID 192 (N):       0.831       0.172       0.388      -1.436       0.089       0.502
RESID 193 (F):       7.287      -0.396      -1.326       1.229       0.162       1.127
RESID 194 (Q):      -0.595       0.005      -0.981      -2.690       0.486      -0.129

DATA CS_STAT_INFO  N  RMS:   3.536 ppm Count:   8 Average Difference: -2.046 +/- 3.083 ppm
DATA CS_STAT_INFO  HA RMS:   0.474 ppm Count:   8 Average Difference: -0.143 +/- 0.483 ppm
DATA CS_STAT_INFO  C  RMS:   0.937 ppm Count:   8 Average Difference:  0.483 +/- 0.858 ppm
DATA CS_STAT_INFO  CA RMS:   1.591 ppm Count:   8 Average Difference:  0.549 +/- 1.596 ppm
DATA CS_STAT_INFO  CB RMS:   1.168 ppm Count:   8 Average Difference: -0.778 +/- 0.931 ppm
DATA CS_STAT_INFO  HN RMS:   0.963 ppm Count:   8 Average Difference: -0.813 +/- 0.552 ppm


############################################################################
For conformer 11:

                   Atom      Original     Corrected        SPARTA    Difference
RESID 187 (Y):        N       120.720       120.720       116.957         3.763
RESID 187 (Y):       HA         4.340         4.340         3.906         0.434
RESID 187 (Y):        C       176.218       176.218       174.966         1.252
RESID 187 (Y):       CA        58.970        58.970        58.180         0.790
RESID 187 (Y):       CB        38.401        38.401        37.780         0.621
RESID 187 (Y):        H         8.100         8.100         7.427         0.673
RESID 188 (Q):        N       120.417       120.417       122.238        -1.821
RESID 188 (Q):       HA         3.910         3.910         3.723         0.187
RESID 188 (Q):        C       176.288       176.288       176.785        -0.497
RESID 188 (Q):       CA        56.782        56.782        57.385        -0.603
RESID 188 (Q):       CB        28.607        28.607        26.128         2.479
RESID 188 (Q):        H         8.170         8.170         7.090         1.080
RESID 189 (F):        N       120.153       120.153       115.001         5.152
RESID 189 (F):       HA         4.380         4.380         4.304         0.076
RESID 189 (F):        C       176.196       176.196       176.459        -0.263
RESID 189 (F):       CA        59.003        59.003        58.874         0.129
RESID 189 (F):       CB        39.110        39.110        37.312         1.798
RESID 189 (F):        H         7.960         7.960         6.810         1.150
RESID 190 (W):        N       121.072       121.072       121.454        -0.382
RESID 190 (W):       HA         4.500         4.500         5.154        -0.654
RESID 190 (W):        C       176.298       176.298       177.890        -1.592
RESID 190 (W):       CA        58.125        58.125        60.014        -1.889
RESID 190 (W):       CB        29.268        29.268        31.367        -2.099
RESID 190 (W):        H         7.880         7.880         8.189        -0.309
RESID 191 (K):        N       121.958       121.958       120.301         1.657
RESID 191 (K):       HA         3.950         3.950         4.305        -0.355
RESID 191 (K):        C       176.686       176.686       178.505        -1.819
RESID 191 (K):       CA        57.206        57.206        60.888        -3.682
RESID 191 (K):       CB        32.499        32.499        32.739        -0.240
RESID 191 (K):        H         7.970         7.970         7.776         0.194
RESID 192 (N):        N       117.983       117.983       117.982         0.001
RESID 192 (N):       HA         4.520         4.520         4.507         0.013
RESID 192 (N):        C       176.762       176.762       176.399         0.363
RESID 192 (N):       CA        53.752        53.752        55.645        -1.893
RESID 192 (N):       CB        38.448        38.448        38.543        -0.095
RESID 192 (N):        H         8.070         8.070         8.431        -0.361
RESID 193 (F):        N       120.529       120.529       116.257         4.272
RESID 193 (F):       HA         4.500         4.500         4.867        -0.367
RESID 193 (F):        C       175.348       175.348       176.567        -1.219
RESID 193 (F):       CA        58.480        58.480        57.306         1.174
RESID 193 (F):       CB        39.240        39.240        39.941        -0.701
RESID 193 (F):        H         8.030         8.030         7.415         0.615
RESID 194 (Q):        N       120.689       120.689       119.256         1.433
RESID 194 (Q):       HA         4.250         4.250         2.527         1.723
RESID 194 (Q):        C       175.890       175.890       175.922        -0.032
RESID 194 (Q):       CA        56.257        56.257        57.112        -0.855
RESID 194 (Q):       CB        29.571        29.571        27.793         1.778
RESID 194 (Q):        H         8.190         8.190         7.586         0.604

                         N          HA           C          CA          CB           H
RESID 188 (Q):      -1.821       0.187      -0.497      -0.603       2.479       1.080
RESID 189 (F):       5.152       0.076      -0.263       0.129       1.798       1.150
RESID 190 (W):      -0.382      -0.654      -1.592      -1.889      -2.099      -0.309
RESID 191 (K):       1.657      -0.355      -1.819      -3.682      -0.240       0.194
RESID 192 (N):       0.001       0.013       0.363      -1.893      -0.095      -0.361
RESID 193 (F):       4.272      -0.367      -1.219       1.174      -0.701       0.615
RESID 194 (Q):       1.433       1.723      -0.032      -0.855       1.778       0.604

DATA CS_STAT_INFO  N  RMS:   2.899 ppm Count:   8 Average Difference: -1.759 +/- 2.463 ppm
DATA CS_STAT_INFO  HA RMS:   0.697 ppm Count:   8 Average Difference: -0.132 +/- 0.731 ppm
DATA CS_STAT_INFO  C  RMS:   1.081 ppm Count:   8 Average Difference:  0.476 +/- 1.037 ppm
DATA CS_STAT_INFO  CA RMS:   1.726 ppm Count:   8 Average Difference:  0.854 +/- 1.603 ppm
DATA CS_STAT_INFO  CB RMS:   1.495 ppm Count:   8 Average Difference: -0.443 +/- 1.527 ppm
DATA CS_STAT_INFO  HN RMS:   0.702 ppm Count:   8 Average Difference: -0.456 +/- 0.572 ppm