Supplementary material for Brown et al. (July 3, 2001) Proc. Natl. Acad. Sci. USA, 10.1073/pnas.151251898
Fig. 7.
Superposition of expanded regions of the 300-ms mixing time NOESY (black) and 100-ms spin lock time ROESY (blue and magenta) spectra (25ºC). The PhIP protons in the major conformer (red text, solid red lines, subscript A) and in the minor conformer (green text, dashed green lines, and subscript B) exhibit a complex pattern of exchange cross peaks (blue negative ROESY peaks). Very strong NOE peaks exhibit positive (magenta) ROESY peaks (labeled in figure). The assignments are as follows (also, see Table 1 in paper):Exchange cross peaks | PhIP-PhIP NOEs | ||
A | PhIP(H5) | 1 | PhIP(H5)B-PhIP(H2’/H6’)A |
B | PhIP(H7) | 2 | PhIP(H5)B-PhIP(H3’/H5’)A/PhIP(H4’)A |
C | C17(H6) | 3 | PhIP(H5)B-PhIP(H3’/H5’)B |
D | G18(H8) | 4 | PhIP(H5)B-PhIP(H2’/H6’)B |
E | PhIP(H2’/H6’) | 5 | PhIP(H7)B-PhIP(H2’/H6’)A |
F | C7(H6) | 6 | PhIP(H7)B-PhIP(H3’/H5’)A/PhIP(H4’)A |
G | PhIP(H3’/H5’) | 7 | PhIP(H7)B-PhIP(H2’/H6’)B |
H | PhIP(H4’) | 8 | PhIP(H2’/H6’)B-PhIP(H5)A |
I | C5(H6) | 9 | PhIP(H2’/H6’)B-PhIP(H7)A |
J | PhIP(N-CH3) | 10 | PhIP(H2’/H6’)B-PhIP(H3’/H5’)A/PhIP(H4’)A |
K | C17(H1’) | 11 | PhIP(H2’/H6’)B-PhIP(H3’/H5’)B |
L | G6(H1’) | 12 | PhIP(H3’/H5’)B-PhIP(H2’/H6’)A |
M | C17(H5) | 13 | PhIP(H3’/H5’)A/PhIP(H4’)A-PhIP(H5)A |
N | C5(H1’) | 14 | PhIP(H3’/H5’)A/PhIP(H4’)A-PhIP(H2’/H6’)A |
O | G16(H1’) | 15 | PhIP(H7)A-PhIP(H5)A |
P | G18(H1’) | 16 | PhIP(H2’/H6’)A PhIP(H5)A |
Q | C5(H5) |
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