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