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# ssNOE data on D12 100% 13C/15N NMR sample
# notes:
#   Temp=XX
#   collection by George Coker on XX/XX/XX
#   Sfreq = 800 MHz
#
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# Raw FID data was reprocessed XXXXXX  GC
#  -These are the ssNOE enhancements as fit from peak intensity data 
#   processed using nmrview and nmrpipe
#  -Error values are bogus, needs to be done correctly.  I just assumed
#   an error of 5% (5pct) for all measurments -JPL
# Many missing data points, need to reprocess the data, most notably:
#  -C1' of G12 is missing
#  -C2' of C3, T7 and C9 seems VERY suspect, they aren't being used
#######################################################################

# CYT 1
# C1' 1.78 or 1.64 = 1.71
# C2' 2.34 or 2.44 = 2.39
"A 1 CYT C1'" : 1.71 : 5pct
"A 1 CYT C2'" : 2.39 : 5pct
"A 1 CYT C3'" : 0.88 : 5pct
"A 1 CYT C4'" : 1.58 : 5pct
"A 1 CYT C5'" :      :
"A 1 CYT C5"  : 1.26 : 5pct
"A 1 CYT C6"  : 1.19 : 5pct

# GUA 2
# C1' 1.36 or 1.25 = 1.305
# C2' 1.30 or 1.27 = 1.285
"A 2 GUA C1'" : 1.305 : 5pct
"A 2 GUA C2'" : 1.285 : 5pct
"A 2 GUA C3'" : 1.43  : 5pct
"A 2 GUA C4'" : 1.32  : 5pct
"A 2 GUA C5'" :       :
"A 2 GUA C8"  : 1.23  : 5pct

# CYT 3
# C1' 1.47 or 1.33 = 1.40
# C2' 20.13 or 3.61 = 11.87 !!!!! Don't use
"A 3 CYT C1'" : 1.40 : 5pct
"A 3 CYT C2'" :      : 
"A 3 CYT C3'" : 1.50 : 5pct
"A 3 CYT C4'" : 1.55 : 5pct
"A 3 CYT C5'" :      : 
"A 3 CYT C5"  : 1.21 : 5pct
"A 3 CYT C6"  : 1.12 : 5pct

# GUA 4
# C1' 1.30 or 1.24 = 1.27
# C2' 1.28 or 1.34 = 1.31
"A 4 GUA C1'" : 1.27 : 5pct
"A 4 GUA C2'" : 1.31 : 5pct
"A 4 GUA C3'" : 2.46 : 5pct
"A 4 GUA C4'" : 1.32 : 5pct
"A 4 GUA C5'" :      : 
"A 4 GUA C8"  : 1.14 : 5pct

# ADE 5
# C1' 1.35 or 1.20 = 1.275
# C2' 1.13 or 1.26 = 1.195
"A 5 ADE C1'" : 1.275 : 5pct
"A 5 ADE C2'" : 1.195 : 5pct
"A 5 ADE C3'" : 2.95  : 5pct
"A 5 ADE C4'" : 1.25  : 5pct
"A 5 ADE C5'" :       : 
"A 5 ADE C2"  : 1.11  : 5pct
"A 5 ADE C8"  : 1.12  : 5pct

# ADE 6
# C1' 1.38 or 1.30 = 1.34
# C2' 1.20 or 1.67 = 1.435
"A 6 ADE C1'" : 1.34  : 5pct
"A 6 ADE C2'" : 1.435 : 5pct
"A 6 ADE C3'" : 1.57  : 5pct
"A 6 ADE C4'" : 1.22  : 5pct
"A 6 ADE C5'" :       : 
"A 6 ADE C2"  : 1.07  : 5pct
"A 6 ADE C8"  :       :

# THY 7
# C1' 1.27 or 1.16 = 1.215
# C2' 3.65 or 0.90 = 2.275 !!!!!! Don't use
"A 7 THY C1'" : 1.215 : 5pct
"A 7 THY C2'" :       : 
"A 7 THY C3'" : 1.75  : 5pct
"A 7 THY C4'" :       : 
"A 7 THY C5'" :       : 
"A 7 THY C6"  : 1.10  : 5pct
"A 7 THY C7"  :       : 

# THY 8
# C1' 1.26 or 1.20 = 1.23
# C2' 0.87 or 0.87 = 0.87
"A 8 THY C1'" : 1.23 : 5pct
"A 8 THY C2'" : 0.87 : 5pct
"A 8 THY C3'" : 1.86 : 5pct
"A 8 THY C4'" : 1.21 : 5pct
"A 8 THY C5'" :      : 
"A 8 THY C6"  : 1.11 : 5pct
"A 8 THY C7"  :      : 

# CYT 9
# C1' 1.46 or 1.33 = 1.395
# C2' 128 or 2.62 = 65.31 !!!!!! Don't use
"A 9 CYT C1'" : 1.395 : 5pct
"A 9 CYT C2'" :       : 
"A 9 CYT C3'" : 1.53  : 5pct
"A 9 CYT C4'" : 1.32  : 5pct
"A 9 CYT C5'" :       : 
"A 9 CYT C5"  : 1.21  : 5pct
"A 9 CYT C6"  : 1.13  : 5pct

# GUA 10
# C1' 1.31 or 1.23 = 1.27
# C2' 1.46 or 1.24 = 1.345
"A 10 GUA C1'": 1.27  : 5pct
"A 10 GUA C2'": 1.345 : 5pct
"A 10 GUA C3'":       : 
"A 10 GUA C4'": 1.33  : 5pct
"A 10 GUA C5'":       : 
"A 10 GUA C8" : 1.15  : 5pct

# CYT 11
# C1' 1.53 or 1.38 = 1.455
# C2' 2.76 or 3.41 = 3.085
"A 11 CYT C1'": 1.455 : 5pct
"A 11 CYT C2'": 3.085 : 5pct
"A 11 CYT C3'":       : 
"A 11 CYT C4'": 1.20  : 5pct
"A 11 CYT C5'":       : 
"A 11 CYT C5" : 1.22  : 5pct
"A 11 CYT C6" : 1.15  : 5pct

# GUA 12
# C1' none
# C2' 1.78 or 1.62 = 1.70
"A 12 GUA C1'":      : 
"A 12 GUA C2'": 1.70 : 5pct
"A 12 GUA C3'": 1.49 : 5pct
"A 12 GUA C4'":      :
"A 12 GUA C5'":      : 
"A 12 GUA C8" : 1.19 : 5pct
