#######################################################################
# 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' 3 CYT and CYT 11
#     C4'-H4' 3 CYT and CYT 11
#     C3'-H3' 4 GUA and GUA 10
#     C8 -H8  5 ADE and ADE 6
#     C1'-H1' 6 ADE and GUA 12
#######################################################################

# CYT 1
"A 1 CYT C1'"    :  1.633 :  5pct 
"A 1 CYT C2'"    :  1.912 :  5pct 
"A 1 CYT C3'"    :  1.740 :  5pct 
"A 1 CYT C4'"    :  1.568 :  5pct 
"A 1 CYT C5"     :  1.242 :  5pct 
"A 1 CYT C6"     :  1.184 :  5pct 

# GUA 2
"A 2 GUA C1'"    :  1.150 :  5pct 
"A 2 GUA C2'"    :  1.445 :  5pct 
"A 2 GUA C3'"    :  1.272 :  5pct 
"A 2 GUA C4'"    :  1.346 :  5pct 
"A 2 GUA C8"     :  1.180 :  5pct 

# CYT 3
"A 3 CYT C1'"    :  1.356 :  5pct 
"A 3 CYT C2'"    :  1.487 :  5pct 
"A 3 CYT C3'"    :  1.291 :  5pct 
"A 3 CYT C4'"    :  1.468 :  5pct 
"A 3 CYT C5"     :  1.176 :  5pct 
"A 3 CYT C6"     :  1.125 :  5pct 

# GUA 4
"A 4 GUA C1'"    :  1.202 :  5pct 
"A 4 GUA C2'"    :  1.286 :  5pct 
"A 4 GUA C3'"    :  1.231 :  5pct 
"A 4 GUA C4'"    :  1.284 :  5pct 
"A 4 GUA C8"     :  1.135 :  5pct 

# ADE 5
"A 5 ADE C1'"    :  1.176 :  5pct 
"A 5 ADE C2'"    :  1.268 :  5pct 
"A 5 ADE C3'"    :  1.138 :  5pct 
"A 5 ADE C4'"    :  1.247 :  5pct 
"A 5 ADE C2"     :  1.112 :  5pct 
"A 5 ADE C8"     :  1.107 :  5pct 

# ADE 6
"A 6 ADE C1'"    :  1.260 :  5pct 
"A 6 ADE C2'"    :  1.297 :  5pct 
"A 6 ADE C3'"    :  1.196 :  5pct 
"A 6 ADE C4'"    :  1.202 :  5pct 
"A 6 ADE C2"     :  1.064 :  5pct 
"A 6 ADE C8"     :  1.107 :  5pct 

# THY 7
"A 7 THY C1'"    :  1.234 :  5pct 
"A 7 THY C2'"    :  1.201 :  5pct 
"A 7 THY C3'"    :  0.399 :  5pct 
"A 7 THY C4'"    :  1.173 :  5pct 
"A 7 THY C6"     :  1.104 :  5pct 
"A 7 THY C7"     :  1.528 :  5pct 

# THY 8
"A 8 THY C1'"    :  1.169 :  5pct 
"A 8 THY C2'"    :  1.287 :  5pct 
"A 8 THY C3'"    :  1.171 :  5pct 
"A 8 THY C4'"    :  1.176 :  5pct 
"A 8 THY C6"     :  1.092 :  5pct 
"A 8 THY C7"     :  1.590 :  5pct 

# CYT 9
"A 9 CYT C1'"    :  1.318 :  5pct 
"A 9 CYT C2'"    :  1.507 :  5pct 
"A 9 CYT C3'"    :  1.323 :  5pct 
"A 9 CYT C4'"    :  0.873 :  5pct 
"A 9 CYT C5"     :  1.152 :  5pct 
"A 9 CYT C6"     :  1.124 :  5pct 

# GUA 10
"A 10 GUA C1'"   :  1.227 :  5pct 
"A 10 GUA C2'"   :  1.315 :  5pct 
"A 10 GUA C3'"   :  1.231 :  5pct 
"A 10 GUA C4'"   :  1.296 :  5pct 
"A 10 GUA C8"    :  1.139 :  5pct 

# CYT 11
"A 11 CYT C1'"   :  1.357 :  5pct 
"A 11 CYT C2'"   :  1.640 :  5pct 
"A 11 CYT C3'"   :  1.291 :  5pct 
"A 11 CYT C4'"   :  1.468 :  5pct 
"A 11 CYT C5"    :  1.162 :  5pct 
"A 11 CYT C6"    :  1.147 :  5pct 

# GUA 12
"A 12 GUA C1'"   :  1.260 :  5pct 
"A 12 GUA C2'"   :  1.739 :  5pct 
"A 12 GUA C3'"   :  1.595 :  5pct 
"A 12 GUA C4'"   :  1.313 :  5pct 
"A 12 GUA C8"    :  1.212 :  5pct 

