#######################################################################
# R2 data on D12 100% 13C/15N NMR sample
#
# Experiment notes:
#
#   collection by George Coker on March 5-12, 1998
#   Sfreq:    800 MHz
#   Temp:     25C
#   sequence: 5'-CGCGAATTCGC-3' duplex DNA
#   [DNA]:    1 mM 
#   Buffer:   20mM phosphate pH 7.0, 150 mM NaCl, 0.05 mM EDTA
#
#######################################################################
# Raw FID data was reprocessed Aug 5, 1999  GC
#  -These are the R2 rates as fit from peak intensity data processed 
#   using nmrview and nmrpipe
#  -Errors are reported as those the came from the fit using the 
#   levenberg marquadt algorithm under Origin v4.1. 
#   I = A1*cos(A2*(x+A3))*cos(A4*(x+A3))*exp(A5*(x+A3)+A6
#  -C2' data are the average of the C2'-H2' and C2'-H2'' values
#  -C5' data are not reported, too overlapped
#  -Completely overlapped peaks (both are reported as identical)
#     C3'-H3' CYT 3 and CYT 11
#     C4'-H4' CYT 3 and CYT 11
#     C3'-H3' GUA 4 and GUA 10
#     C8 -H8  ADE 5 and ADE 6
#     C1'-H1' ADE 6 and GUA 12
#######################################################################

# CYT 1
"A 1 CYT C1'"    : 18.171 :  0.434
"A 1 CYT C2'"    : 42.344 :  6.860
"A 1 CYT C3'"    : 15.758 :  4.673
"A 1 CYT C4'"    : 18.319 :  0.755
"A 1 CYT C5"     : 52.687 :  6.528
"A 1 CYT C6"     : 42.168 :  1.143

# GUA 2
"A 2 GUA C1'"    : 32.244 :  0.349
"A 2 GUA C2'"    : 36.631 :  6.002
"A 2 GUA C3'"    : 24.265 :  2.188
"A 2 GUA C4'"    : 22.831 :  1.041
"A 2 GUA C8"     : 67.442 :  2.701

# CYT 3
"A 3 CYT C1'"    : 23.347 :  0.470
"A 3 CYT C2'"    : 44.749 :  7.346
"A 3 CYT C3'"    : 21.416 :  3.287
"A 3 CYT C4'"    : 18.534 :  0.739
"A 3 CYT C5"     : 50.139 :  6.623
"A 3 CYT C6"     : 49.938 :  0.774

# GUA 4
"A 4 GUA C1'"    : 26.645 :  0.121
"A 4 GUA C2'"    : 53.746 :  6.717
"A 4 GUA C3'"    : 25.187 :  4.004
"A 4 GUA C4'"    : 22.712 :  1.408
"A 4 GUA C8"     : 69.301 :  4.290

# ADE 5
"A 5 ADE C1'"    : 30.273 :  0.186
"A 5 ADE C2'"    : 56.004 :  9.793
"A 5 ADE C3'"    : 26.427 :  2.624
"A 5 ADE C4'"    : 24.558 :  2.199
"A 5 ADE C2"     : 89.500 :  4.790
"A 5 ADE C8"     : 70.569 :  1.587

# ADE 6
"A 6 ADE C1'"    : 22.439 :  0.375
"A 6 ADE C2'"    : 53.498 :  5.292
"A 6 ADE C3'"    : 26.406 :  3.165
"A 6 ADE C4'"    : 28.217 :  1.400
"A 6 ADE C2"     : 69.347 :  4.987
"A 6 ADE C8"     : 70.569 :  1.587

# THY 7
"A 7 THY C1'"    : 26.498 :  0.176
"A 7 THY C2'"    : 45.001 :  8.022
"A 7 THY C3'"    : 49.929 : 23.592
"A 7 THY C4'"    : 29.914 :  1.865
"A 7 THY C6"     : 52.168 :  0.978

# THY 7
"A 8 THY C1'"    : 28.197 :  0.589
"A 8 THY C2'"    : 71.957 : 13.023
"A 8 THY C3'"    : 26.549 :  3.798
"A 8 THY C4'"    : 28.296 :  1.036
"A 8 THY C6"     : 48.835 :  1.391
"A 8 THY C7"     : 14.441 : 20.456

# CYT 9
"A 9 CYT C1'"    : 22.802 :  0.564
"A 9 CYT C2'"    : 33.736 :  6.341
"A 9 CYT C3'"    : 18.478 :  4.218
"A 9 CYT C4'"    : 62.823 : 15.714
"A 9 CYT C5"     : 54.864 :  5.943
"A 9 CYT C6"     : 50.659 :  1.385

# GUA 10
"A 10 GUA C1'"   : 25.722 :  0.170
"A 10 GUA C2'"   : 54.929 :  7.009
"A 10 GUA C3'"   : 25.187 :  4.004
"A 10 GUA C4'"   : 21.562 :  1.173
"A 10 GUA C8"    : 67.130 :  2.884

# CYT 11
"A 11 CYT C1'"   : 22.942 :  0.298
"A 11 CYT C2'"   : 35.543 :  5.174
"A 11 CYT C3'"   : 21.416 :  3.287
"A 11 CYT C4'"   : 18.534 :  0.739
"A 11 CYT C5"    : 48.465 :  6.167
"A 11 CYT C6"    : 49.476 :  0.739

# GUA 12
"A 12 GUA C1'"   : 22.439 :  0.375
"A 12 GUA C2'"   : 74.897 : 17.239
"A 12 GUA C3'"   : 15.482 :  0.807
"A 12 GUA C4'"   : 26.188 :  1.020
"A 12 GUA C8"    : 64.745 :  3.215
