Table 2.

¹³C hyperfine coupling constants and Fe—C—N angles in ¹³CN⁻-bound SORs.

1Fe-SOR WT:
	Aiso (MHz)	Aaniso (MHz)	θ (Fe—C—N)
C1	−32.8	[−1.2, −1.2, 2.4]	175°
C2	−26.7	[−0.3, −0.3, 0.6]	133°
C3	−23.2	[0.2, 3.2, −3.4]	123°
2Fe-SOR WT:
	Aiso (MHz)	Aaniso (MHz)	θ (Fe—C—N)
C1	−31.2	[−0.8, −0.8, 1.6]	175°
C2	−25.3	[0.3, 0.3, −0.6]	133°
C3	−22.3	[1.3, 1.3, −2.6]	124°
C13S:
	Aiso (MHz)	Aaniso (MHz)	θ (Fe—C—N)
C1	−31.2	[−1.3, −0.3, 1.6]	175°
C2	−25.0	[0.0, +1.0, −1.0]	132°
C3	−22.0	[1.0, 2.0, −3.0]	123°
Transferrin:
	Aiso (MHz)	Aaniso (MHz)	θ (Fe—C—N)
C	−35.5	[−2.12, −2.35, 4.47]	0°