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. Author manuscript; available in PMC: 2009 Dec 3.
Published in final edited form as: J Am Chem Soc. 2008 Feb 16;130(10):3157–3168. doi: 10.1021/ja7104152

Table 1.

Experimental STD intensities of (A) UDP-Galf 1 and (B) UDP-[3-F]Galf 4 at different saturation times. STDmax and Ksat were calculated by fitting the data to an exponential equation and STDfit and epitopes (fit) were derived. The respective T1 relaxation times of the ligand at a 100:1 of ligand : UGM are also displayed.

(A) Experimental STDa STDmaxb ksatb STD (fit)c STD
epitopes
(fit) a
T1(s)
0.5 s 2 s 5 s
H5U 71.4 69.0 56.5 11.64±0.51 0.412±0.036 4.77±0.41 70.9 ---d
H6U 33.6 31.4 29.2 6.03±0.48 0.383±0.053 2.29±0.40 34.0 1.22
H1R 100 100 100 22.46±1.96 0.300±0.044 6.74±1.07 100 2.39
H2R/H3R 67.2 56.8 49.1 8.91±0.46 0.521±0.058 4.63±0.58 68.8 1.25
H4R 52.9 39.6 38.7 6.57±0.37 0.534±0.067 3.48±0.49 51.7 1.07
H5R/H3G 38.6 29.2 21.3 4.27±0.07 0.564±0.022 2.39±0.09 35.5 ---d
H1G 21.8 24.7 26.3 5.10±0.04 0.333±0.048 1.68±0.26 25.0 2.02
H2G 20.2 19.5 21.3 7.23±2.07 0.182±0.066 1.30±0.63 19.3 1.36
H4G 17.6 20.1 20.4 3.51±0.25 0.424±0.057 1.47±0.23 21.9 ---d
H5G 25.2 21.0 16.1 3.46±0.28 0.501±0.076 1.73±0.31 25.7 0.99
H6G 31.9 17.4 9.53 2.02±0.08 0.912±0.09 1.84±0.21 27.3 0.53
(B) Experimental STDa STDmaxb ksatb STD (fit) c STD
epitopes
(fit) a
T1 (s)
0.5 s 2 s 5 s
H5U 65.8 67.2 61.1 13.76±1.02 0.362±0.048 4.95±0.76 70.7 1.81
H6U 41.0 36.7 33.3 6.71±0.34 0.422±0.041 2.82±0.31 40.2 1.26
H1R 100 100 100 22.60±1.56 0.314±0.038 7.01±0.98 100 2.53
H2R/H3R 65.4 58.3 50.0 9.52±0.50 0.502±0.057 4.76±0.60 67.9 1.32
H4R 65.0 51.9 44.4 8.20±0.42 0.554±0.059 4.51±0.54 64.4 1.26
H5R 32.5 25.9 22.2 4.10±0.20 0.553±0.061 2.26±0.27 32.2 0.54
H1G 33.3 32.2 33.3 7.82±0.64 0.285±0.037 2.19±0.34 31.3 2.56
H2G 50.9 39.5 38.9 7.88±0.23 0.454±0.077 3.55±0.62 50.6 1.73
H3G 25.6 18.3 16.7 2.94±0.23 0.582±0.105 1.71±0.34 24.3 ---d
H4G --- 30.6 33.3 6.44±0.60 0.505±0.088 3.22±0.64 46.0 1.14
H5G 34.2 32.9 27.8 5.38±0.30 0.502±0.055 2.69±0.33 38.4 1.14
H6G 39.7 24.4 16.7 2.85±0.12 1.061±0.148 3.02±0.64 43.1 0.54
a

For ease of comparison, the STD effects were normalized to the H1R intensity, which was set to 100.

b

From fitting the saturation time data to the monoexponential equation: STD = STDmax (1-e(-ksatt)).42

c

Slope of the STD build-up curve at a saturation time of 0.

d

Not determined because of peak overlap.