For BMRB entry 19469:

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

                   Atom      Original     Corrected        SPARTA    Difference
RESID   2 (K):       HA         4.089         4.089         3.948         0.141
RESID   2 (K):        H         7.997         7.997         8.714        -0.717
RESID   3 (L):       HA         4.213         4.213         3.886         0.327
RESID   3 (L):        H         7.912         7.912         7.066         0.846
RESID   4 (L):       HA         4.348         4.348         4.400        -0.052
RESID   4 (L):        H         8.126         8.126         7.710         0.416
RESID   5 (S):       HA         4.403         4.403         4.470        -0.067
RESID   5 (S):        H         8.197         8.197         8.459        -0.262
RESID   6 (K):       HA         4.286         4.286         3.950         0.336
RESID   6 (K):        H         8.317         8.317         8.267         0.050
RESID   7 (A):       HA         4.321         4.321         4.146         0.175
RESID   7 (A):        H         8.270         8.270         7.974         0.296
RESID   8 (Q):       HA         4.280         4.280         4.446        -0.166
RESID   8 (Q):        H         8.299         8.299         8.094         0.205
RESID   9 (E):       HA         4.313         4.313         4.487        -0.174
RESID   9 (E):        H         8.362         8.362         7.610         0.752

                         N          HA           C          CA          CB           H
RESID   3 (L):       -----       0.327       -----       -----       -----       0.846
RESID   4 (L):       -----      -0.052       -----       -----       -----       0.416
RESID   5 (S):       -----      -0.067       -----       -----       -----      -0.262
RESID   6 (K):       -----       0.336       -----       -----       -----       0.050
RESID   7 (A):       -----       0.175       -----       -----       -----       0.296
RESID   8 (Q):       -----      -0.166       -----       -----       -----       0.205
RESID   9 (E):       -----      -0.174       -----       -----       -----       0.752

DATA CS_STAT_INFO  N  RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  HA RMS:   0.205 ppm Count:   8 Average Difference: -0.065 +/- 0.207 ppm
DATA CS_STAT_INFO  C  RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  CA RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  CB RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  HN RMS:   0.521 ppm Count:   8 Average Difference: -0.198 +/- 0.515 ppm


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

                   Atom      Original     Corrected        SPARTA    Difference
RESID   2 (K):       HA         4.089         4.089         3.945         0.144
RESID   2 (K):        H         7.997         7.997         8.706        -0.709
RESID   3 (L):       HA         4.213         4.213         3.883         0.330
RESID   3 (L):        H         7.912         7.912         7.042         0.870
RESID   4 (L):       HA         4.348         4.348         4.347         0.001
RESID   4 (L):        H         8.126         8.126         7.784         0.342
RESID   5 (S):       HA         4.403         4.403         4.500        -0.097
RESID   5 (S):        H         8.197         8.197         8.567        -0.370
RESID   6 (K):       HA         4.286         4.286         3.979         0.307
RESID   6 (K):        H         8.317         8.317         8.376        -0.059
RESID   7 (A):       HA         4.321         4.321         4.184         0.137
RESID   7 (A):        H         8.270         8.270         8.274        -0.004
RESID   8 (Q):       HA         4.280         4.280         4.379        -0.099
RESID   8 (Q):        H         8.299         8.299         8.211         0.088
RESID   9 (E):       HA         4.313         4.313         4.420        -0.107
RESID   9 (E):        H         8.362         8.362         7.968         0.394

                         N          HA           C          CA          CB           H
RESID   3 (L):       -----       0.330       -----       -----       -----       0.870
RESID   4 (L):       -----       0.001       -----       -----       -----       0.342
RESID   5 (S):       -----      -0.097       -----       -----       -----      -0.370
RESID   6 (K):       -----       0.307       -----       -----       -----      -0.059
RESID   7 (A):       -----       0.137       -----       -----       -----      -0.004
RESID   8 (Q):       -----      -0.099       -----       -----       -----       0.088
RESID   9 (E):       -----      -0.107       -----       -----       -----       0.394

DATA CS_STAT_INFO  N  RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  HA RMS:   0.185 ppm Count:   8 Average Difference: -0.077 +/- 0.180 ppm
DATA CS_STAT_INFO  C  RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  CA RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  CB RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  HN RMS:   0.458 ppm Count:   8 Average Difference: -0.069 +/- 0.484 ppm


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

                   Atom      Original     Corrected        SPARTA    Difference
RESID   2 (K):       HA         4.089         4.089         4.001         0.088
RESID   2 (K):        H         7.997         7.997         8.683        -0.686
RESID   3 (L):       HA         4.213         4.213         3.880         0.333
RESID   3 (L):        H         7.912         7.912         7.089         0.823
RESID   4 (L):       HA         4.348         4.348         4.339         0.009
RESID   4 (L):        H         8.126         8.126         7.708         0.418
RESID   5 (S):       HA         4.403         4.403         4.501        -0.098
RESID   5 (S):        H         8.197         8.197         8.518        -0.321
RESID   6 (K):       HA         4.286         4.286         4.017         0.269
RESID   6 (K):        H         8.317         8.317         8.185         0.132
RESID   7 (A):       HA         4.321         4.321         4.190         0.131
RESID   7 (A):        H         8.270         8.270         8.076         0.194
RESID   8 (Q):       HA         4.280         4.280         4.436        -0.156
RESID   8 (Q):        H         8.299         8.299         8.183         0.116
RESID   9 (E):       HA         4.313         4.313         4.445        -0.132
RESID   9 (E):        H         8.362         8.362         7.922         0.440

                         N          HA           C          CA          CB           H
RESID   3 (L):       -----       0.333       -----       -----       -----       0.823
RESID   4 (L):       -----       0.009       -----       -----       -----       0.418
RESID   5 (S):       -----      -0.098       -----       -----       -----      -0.321
RESID   6 (K):       -----       0.269       -----       -----       -----       0.132
RESID   7 (A):       -----       0.131       -----       -----       -----       0.194
RESID   8 (Q):       -----      -0.156       -----       -----       -----       0.116
RESID   9 (E):       -----      -0.132       -----       -----       -----       0.440

DATA CS_STAT_INFO  N  RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  HA RMS:   0.180 ppm Count:   8 Average Difference: -0.056 +/- 0.183 ppm
DATA CS_STAT_INFO  C  RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  CA RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  CB RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  HN RMS:   0.459 ppm Count:   8 Average Difference: -0.139 +/- 0.468 ppm


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

                   Atom      Original     Corrected        SPARTA    Difference
RESID   2 (K):       HA         4.089         4.089         3.979         0.110
RESID   2 (K):        H         7.997         7.997         8.727        -0.730
RESID   3 (L):       HA         4.213         4.213         3.897         0.316
RESID   3 (L):        H         7.912         7.912         7.257         0.655
RESID   4 (L):       HA         4.348         4.348         4.356        -0.008
RESID   4 (L):        H         8.126         8.126         7.601         0.525
RESID   5 (S):       HA         4.403         4.403         4.818        -0.415
RESID   5 (S):        H         8.197         8.197         8.462        -0.265
RESID   6 (K):       HA         4.286         4.286         4.060         0.226
RESID   6 (K):        H         8.317         8.317         8.199         0.118
RESID   7 (A):       HA         4.321         4.321         4.181         0.140
RESID   7 (A):        H         8.270         8.270         8.047         0.223
RESID   8 (Q):       HA         4.280         4.280         4.323        -0.043
RESID   8 (Q):        H         8.299         8.299         8.153         0.146
RESID   9 (E):       HA         4.313         4.313         4.110         0.203
RESID   9 (E):        H         8.362         8.362         8.013         0.349

                         N          HA           C          CA          CB           H
RESID   3 (L):       -----       0.316       -----       -----       -----       0.655
RESID   4 (L):       -----      -0.008       -----       -----       -----       0.525
RESID   5 (S):       -----      -0.415       -----       -----       -----      -0.265
RESID   6 (K):       -----       0.226       -----       -----       -----       0.118
RESID   7 (A):       -----       0.140       -----       -----       -----       0.223
RESID   8 (Q):       -----      -0.043       -----       -----       -----       0.146
RESID   9 (E):       -----       0.203       -----       -----       -----       0.349

DATA CS_STAT_INFO  N  RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  HA RMS:   0.223 ppm Count:   8 Average Difference: -0.066 +/- 0.228 ppm
DATA CS_STAT_INFO  C  RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  CA RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  CB RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  HN RMS:   0.435 ppm Count:   8 Average Difference: -0.128 +/- 0.445 ppm


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

                   Atom      Original     Corrected        SPARTA    Difference
RESID   2 (K):       HA         4.089         4.089         3.968         0.121
RESID   2 (K):        H         7.997         7.997         8.720        -0.723
RESID   3 (L):       HA         4.213         4.213         3.900         0.313
RESID   3 (L):        H         7.912         7.912         7.022         0.890
RESID   4 (L):       HA         4.348         4.348         4.349        -0.001
RESID   4 (L):        H         8.126         8.126         7.791         0.335
RESID   5 (S):       HA         4.403         4.403         4.505        -0.102
RESID   5 (S):        H         8.197         8.197         8.568        -0.371
RESID   6 (K):       HA         4.286         4.286         3.973         0.313
RESID   6 (K):        H         8.317         8.317         8.357        -0.040
RESID   7 (A):       HA         4.321         4.321         4.163         0.158
RESID   7 (A):        H         8.270         8.270         8.485        -0.215
RESID   8 (Q):       HA         4.280         4.280         4.385        -0.105
RESID   8 (Q):        H         8.299         8.299         8.113         0.186
RESID   9 (E):       HA         4.313         4.313         4.347        -0.034
RESID   9 (E):        H         8.362         8.362         7.767         0.595

                         N          HA           C          CA          CB           H
RESID   3 (L):       -----       0.313       -----       -----       -----       0.890
RESID   4 (L):       -----      -0.001       -----       -----       -----       0.335
RESID   5 (S):       -----      -0.102       -----       -----       -----      -0.371
RESID   6 (K):       -----       0.313       -----       -----       -----      -0.040
RESID   7 (A):       -----       0.158       -----       -----       -----      -0.215
RESID   8 (Q):       -----      -0.105       -----       -----       -----       0.186
RESID   9 (E):       -----      -0.034       -----       -----       -----       0.595

DATA CS_STAT_INFO  N  RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  HA RMS:   0.180 ppm Count:   8 Average Difference: -0.083 +/- 0.170 ppm
DATA CS_STAT_INFO  C  RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  CA RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  CB RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  HN RMS:   0.500 ppm Count:   8 Average Difference: -0.082 +/- 0.527 ppm


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

                   Atom      Original     Corrected        SPARTA    Difference
RESID   2 (K):       HA         4.089         4.089         3.934         0.155
RESID   2 (K):        H         7.997         7.997         8.760        -0.763
RESID   3 (L):       HA         4.213         4.213         3.885         0.328
RESID   3 (L):        H         7.912         7.912         7.174         0.738
RESID   4 (L):       HA         4.348         4.348         4.337         0.011
RESID   4 (L):        H         8.126         8.126         7.641         0.485
RESID   5 (S):       HA         4.403         4.403         4.464        -0.061
RESID   5 (S):        H         8.197         8.197         8.484        -0.287
RESID   6 (K):       HA         4.286         4.286         3.980         0.306
RESID   6 (K):        H         8.317         8.317         8.427        -0.110
RESID   7 (A):       HA         4.321         4.321         4.206         0.115
RESID   7 (A):        H         8.270         8.270         7.935         0.335
RESID   8 (Q):       HA         4.280         4.280         4.384        -0.104
RESID   8 (Q):        H         8.299         8.299         8.020         0.279
RESID   9 (E):       HA         4.313         4.313         4.322        -0.009
RESID   9 (E):        H         8.362         8.362         7.664         0.698

                         N          HA           C          CA          CB           H
RESID   3 (L):       -----       0.328       -----       -----       -----       0.738
RESID   4 (L):       -----       0.011       -----       -----       -----       0.485
RESID   5 (S):       -----      -0.061       -----       -----       -----      -0.287
RESID   6 (K):       -----       0.306       -----       -----       -----      -0.110
RESID   7 (A):       -----       0.115       -----       -----       -----       0.335
RESID   8 (Q):       -----      -0.104       -----       -----       -----       0.279
RESID   9 (E):       -----      -0.009       -----       -----       -----       0.698

DATA CS_STAT_INFO  N  RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  HA RMS:   0.178 ppm Count:   8 Average Difference: -0.093 +/- 0.162 ppm
DATA CS_STAT_INFO  C  RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  CA RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  CB RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  HN RMS:   0.516 ppm Count:   8 Average Difference: -0.172 +/- 0.520 ppm


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

                   Atom      Original     Corrected        SPARTA    Difference
RESID   2 (K):       HA         4.089         4.089         3.974         0.115
RESID   2 (K):        H         7.997         7.997         8.714        -0.717
RESID   3 (L):       HA         4.213         4.213         3.899         0.314
RESID   3 (L):        H         7.912         7.912         7.021         0.891
RESID   4 (L):       HA         4.348         4.348         4.359        -0.011
RESID   4 (L):        H         8.126         8.126         7.756         0.370
RESID   5 (S):       HA         4.403         4.403         4.498        -0.095
RESID   5 (S):        H         8.197         8.197         8.554        -0.357
RESID   6 (K):       HA         4.286         4.286         3.958         0.328
RESID   6 (K):        H         8.317         8.317         8.297         0.020
RESID   7 (A):       HA         4.321         4.321         4.116         0.205
RESID   7 (A):        H         8.270         8.270         8.463        -0.193
RESID   8 (Q):       HA         4.280         4.280         4.333        -0.053
RESID   8 (Q):        H         8.299         8.299         8.145         0.154
RESID   9 (E):       HA         4.313         4.313         4.378        -0.065
RESID   9 (E):        H         8.362         8.362         8.160         0.202

                         N          HA           C          CA          CB           H
RESID   3 (L):       -----       0.314       -----       -----       -----       0.891
RESID   4 (L):       -----      -0.011       -----       -----       -----       0.370
RESID   5 (S):       -----      -0.095       -----       -----       -----      -0.357
RESID   6 (K):       -----       0.328       -----       -----       -----       0.020
RESID   7 (A):       -----       0.205       -----       -----       -----      -0.193
RESID   8 (Q):       -----      -0.053       -----       -----       -----       0.154
RESID   9 (E):       -----      -0.065       -----       -----       -----       0.202

DATA CS_STAT_INFO  N  RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  HA RMS:   0.186 ppm Count:   8 Average Difference: -0.092 +/- 0.173 ppm
DATA CS_STAT_INFO  C  RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  CA RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  CB RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  HN RMS:   0.457 ppm Count:   8 Average Difference: -0.046 +/- 0.486 ppm


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

                   Atom      Original     Corrected        SPARTA    Difference
RESID   2 (K):       HA         4.089         4.089         3.940         0.149
RESID   2 (K):        H         7.997         7.997         8.663        -0.666
RESID   3 (L):       HA         4.213         4.213         3.870         0.343
RESID   3 (L):        H         7.912         7.912         7.098         0.814
RESID   4 (L):       HA         4.348         4.348         4.326         0.022
RESID   4 (L):        H         8.126         8.126         7.737         0.389
RESID   5 (S):       HA         4.403         4.403         4.708        -0.305
RESID   5 (S):        H         8.197         8.197         8.507        -0.310
RESID   6 (K):       HA         4.286         4.286         3.934         0.352
RESID   6 (K):        H         8.317         8.317         8.375        -0.058
RESID   7 (A):       HA         4.321         4.321         4.155         0.166
RESID   7 (A):        H         8.270         8.270         8.101         0.169
RESID   8 (Q):       HA         4.280         4.280         4.372        -0.092
RESID   8 (Q):        H         8.299         8.299         8.152         0.147
RESID   9 (E):       HA         4.313         4.313         4.417        -0.104
RESID   9 (E):        H         8.362         8.362         7.517         0.845

                         N          HA           C          CA          CB           H
RESID   3 (L):       -----       0.343       -----       -----       -----       0.814
RESID   4 (L):       -----       0.022       -----       -----       -----       0.389
RESID   5 (S):       -----      -0.305       -----       -----       -----      -0.310
RESID   6 (K):       -----       0.352       -----       -----       -----      -0.058
RESID   7 (A):       -----       0.166       -----       -----       -----       0.169
RESID   8 (Q):       -----      -0.092       -----       -----       -----       0.147
RESID   9 (E):       -----      -0.104       -----       -----       -----       0.845

DATA CS_STAT_INFO  N  RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  HA RMS:   0.225 ppm Count:   8 Average Difference: -0.066 +/- 0.230 ppm
DATA CS_STAT_INFO  C  RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  CA RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  CB RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  HN RMS:   0.515 ppm Count:   8 Average Difference: -0.166 +/- 0.521 ppm


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

                   Atom      Original     Corrected        SPARTA    Difference
RESID   2 (K):       HA         4.089         4.089         3.957         0.132
RESID   2 (K):        H         7.997         7.997         8.717        -0.720
RESID   3 (L):       HA         4.213         4.213         3.900         0.313
RESID   3 (L):        H         7.912         7.912         7.021         0.891
RESID   4 (L):       HA         4.348         4.348         4.352        -0.004
RESID   4 (L):        H         8.126         8.126         7.789         0.337
RESID   5 (S):       HA         4.403         4.403         4.480        -0.077
RESID   5 (S):        H         8.197         8.197         8.593        -0.396
RESID   6 (K):       HA         4.286         4.286         4.048         0.238
RESID   6 (K):        H         8.317         8.317         8.316         0.001
RESID   7 (A):       HA         4.321         4.321         4.220         0.101
RESID   7 (A):        H         8.270         8.270         8.330        -0.060
RESID   8 (Q):       HA         4.280         4.280         4.496        -0.216
RESID   8 (Q):        H         8.299         8.299         8.022         0.277
RESID   9 (E):       HA         4.313         4.313         4.394        -0.081
RESID   9 (E):        H         8.362         8.362         7.953         0.409

                         N          HA           C          CA          CB           H
RESID   3 (L):       -----       0.313       -----       -----       -----       0.891
RESID   4 (L):       -----      -0.004       -----       -----       -----       0.337
RESID   5 (S):       -----      -0.077       -----       -----       -----      -0.396
RESID   6 (K):       -----       0.238       -----       -----       -----       0.001
RESID   7 (A):       -----       0.101       -----       -----       -----      -0.060
RESID   8 (Q):       -----      -0.216       -----       -----       -----       0.277
RESID   9 (E):       -----      -0.081       -----       -----       -----       0.409

DATA CS_STAT_INFO  N  RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  HA RMS:   0.174 ppm Count:   8 Average Difference: -0.051 +/- 0.177 ppm
DATA CS_STAT_INFO  C  RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  CA RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  CB RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  HN RMS:   0.478 ppm Count:   8 Average Difference: -0.092 +/- 0.502 ppm


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

                   Atom      Original     Corrected        SPARTA    Difference
RESID   2 (K):       HA         4.089         4.089         3.946         0.143
RESID   2 (K):        H         7.997         7.997         8.698        -0.701
RESID   3 (L):       HA         4.213         4.213         3.875         0.338
RESID   3 (L):        H         7.912         7.912         7.226         0.686
RESID   4 (L):       HA         4.348         4.348         4.342         0.006
RESID   4 (L):        H         8.126         8.126         7.584         0.542
RESID   5 (S):       HA         4.403         4.403         4.466        -0.063
RESID   5 (S):        H         8.197         8.197         8.518        -0.321
RESID   6 (K):       HA         4.286         4.286         3.945         0.341
RESID   6 (K):        H         8.317         8.317         8.323        -0.006
RESID   7 (A):       HA         4.321         4.321         4.178         0.143
RESID   7 (A):        H         8.270         8.270         8.192         0.078
RESID   8 (Q):       HA         4.280         4.280         4.312        -0.032
RESID   8 (Q):        H         8.299         8.299         8.137         0.162
RESID   9 (E):       HA         4.313         4.313         4.308         0.005
RESID   9 (E):        H         8.362         8.362         7.559         0.803

                         N          HA           C          CA          CB           H
RESID   3 (L):       -----       0.338       -----       -----       -----       0.686
RESID   4 (L):       -----       0.006       -----       -----       -----       0.542
RESID   5 (S):       -----      -0.063       -----       -----       -----      -0.321
RESID   6 (K):       -----       0.341       -----       -----       -----      -0.006
RESID   7 (A):       -----       0.143       -----       -----       -----       0.078
RESID   8 (Q):       -----      -0.032       -----       -----       -----       0.162
RESID   9 (E):       -----       0.005       -----       -----       -----       0.803

DATA CS_STAT_INFO  N  RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  HA RMS:   0.186 ppm Count:   8 Average Difference: -0.110 +/- 0.160 ppm
DATA CS_STAT_INFO  C  RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  CA RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  CB RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  HN RMS:   0.504 ppm Count:   8 Average Difference: -0.155 +/- 0.513 ppm