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. 2020 Feb 9;124(9):1665–1677. doi: 10.1021/acs.jpcb.9b11261

Table 2. GCO Analysis Results of Amide II Modes of Conformers α3* and β2a.

conf. NM freq. D01 R01 R01GCO R01IF R01R
β2 53 1445.6 416.7 –142.4 –145.8 +16.1 –12.6
β2 55 1454.2 279.6 +230.9 +185.4 +49.1 –3.6
α3* 54 1449.3 4.3 +3.7 +0.2 +4.0 –0.5
α3* 59 1565.6 387.8 –24.5 +2.8 –21.5 –5.8
a

GCO fragments are defined in Figure 7. Frequencies are given in cm–1, dipole strength D01 in 10–40 esu2·cm2, and rotational strength R01 and its contributions R01GCO, R01, and R01R in 10–44 esu2·cm2.