#######################################################################
# ssNOE 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 ssNOE enhancements as fit from peak intensity data 
#   processed using nmrview and nmrpipe
#  -Errors are reported as measured from the S/N in the 2D spectra
#  -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'"    :  1.630 :  5pct
"A 1 CYT C2'"    :  1.934 :  5pct
"A 1 CYT C3'"    :  1.774 :  5pct
"A 1 CYT C4'"    :  1.567 :  5pct
"A 1 CYT C5"     :  1.260 :  5pct
"A 1 CYT C6"     :  1.203 :  5pct

# GUA 2
"A 2 GUA C1'"    :  1.142 :  5pct
"A 2 GUA C2'"    :  1.457 :  5pct
"A 2 GUA C3'"    :  1.260 :  5pct
"A 2 GUA C4'"    :  1.329 :  5pct
"A 2 GUA C8"     :  1.184 :  5pct

# CYT 3
"A 3 CYT C1'"    :  1.367 :  5pct
"A 3 CYT C2'"    :  1.547 :  5pct
"A 3 CYT C3'"    :  1.293 :  5pct
"A 3 CYT C4'"    :  1.494 :  5pct
"A 3 CYT C5"     :  1.196 :  5pct
"A 3 CYT C6"     :  1.135 :  5pct

# GUA 4
"A 4 GUA C1'"    :  1.202 :  5pct
"A 4 GUA C2'"    :  1.318 :  5pct
"A 4 GUA C3'"    :  1.230 :  5pct
"A 4 GUA C4'"    :  1.285 :  5pct
"A 4 GUA C8"     :  1.141 :  5pct

# ADE 5
"A 5 ADE C1'"    :  1.169 :  5pct
"A 5 ADE C2'"    :  1.225 :  5pct
"A 5 ADE C3'"    :  1.178 :  5pct
"A 5 ADE C4'"    :  1.223 :  5pct
"A 5 ADE C2"     :  1.112 :  5pct
"A 5 ADE C8"     :  1.127 :  5pct

# ADE 6
"A 6 ADE C1'"    :  1.268 :  5pct
"A 6 ADE C2'"    :  1.383 :  5pct
"A 6 ADE C3'"    :  1.159 :  5pct
"A 6 ADE C4'"    :  1.194 :  5pct
"A 6 ADE C5'"    :  1.174 :  5pct
"A 6 ADE C2"     :  1.066 :  5pct
"A 6 ADE C8"     :  1.127 :  5pct

# THY 7
"A 7 THY C1'"    :  1.221 :  5pct
"A 7 THY C2'"    :  1.261 :  5pct
"A 7 THY C3'"    :  0.094 :  5pct
"A 7 THY C4'"    :  1.191 :  5pct
"A 7 THY C6"     :  1.100 :  5pct

# THY 8
"A 8 THY C1'"    :  1.190 :  5pct
"A 8 THY C2'"    :  1.323 :  5pct
"A 8 THY C3'"    :  1.176 :  5pct
"A 8 THY C4'"    :  1.198 :  5pct
"A 8 THY C5'"    :  1.645 :  5pct
"A 8 THY C6"     :  1.100 :  5pct

# CYT 9
"A 9 CYT C1'"    :  1.316 :  5pct
"A 9 CYT C2'"    :  1.625 :  5pct
"A 9 CYT C3'"    :  1.319 :  5pct
"A 9 CYT C4'"    :  1.205 :  5pct
"A 9 CYT C5"     :  1.232 :  5pct
"A 9 CYT C6"     :  1.128 :  5pct

# GUA 10
"A 10 GUA C1'"   :  1.243 :  5pct
"A 10 GUA C2'"   :  1.365 :  5pct
"A 10 GUA C3'"   :  1.230 :  5pct
"A 10 GUA C4'"   :  1.308 :  5pct
"A 10 GUA C8"    :  1.150 :  5pct

# CYT 11
"A 11 CYT C1'"   :  1.366 :  5pct
"A 11 CYT C2'"   :  1.684 :  5pct
"A 11 CYT C3'"   :  1.293 :  5pct
"A 11 CYT C4'"   :  1.494 :  5pct
"A 11 CYT C5"    :  1.228 :  5pct
"A 11 CYT C6"    :  1.144 :  5pct

# GUA 12
"A 12 GUA C1'"   :  1.268 :  5pct
"A 12 GUA C2'"   :  1.682 :  5pct
"A 12 GUA C3'"   :  1.591 :  5pct
"A 12 GUA C4'"   :  1.317 :  5pct
"A 12 GUA C8"    :  1.222 :  5pct
