Table 3.

Percentage of Cd^II species based on ^111mCd PAC spectroscopic data, pK_a2 values for Cd^II binding and ¹¹³Cd NMR chemical shifts for the different TRI peptides and derivates.

Peptide	% CdII Species 4-coordinate S3(O/N)	3-coordinate S3	Apparent pKa2	113Cd NMR (ppm)
TRIL16C	60	40	13.4 ± 0.2[a]	625[b]
TRIL9AL16C	100	0	13.3 ± 0.2	583[c]
TRIL12AL16C	100	0	12.2 ± 0.2[d]	574[c]
TRIL16CL23A	55	45	13.5 ± 0.2	643
TRIL16Pen	0	100	15.8 ± 0.2[e]	684[f]
TRIL12VL16Pen	22	78	15.7 ± 0.2	687
TRIL12AL16Pen	100	0	12.7 ± 0.2	583
TRIL9C	–	–	13.4 ± 0.2[g]	615[g]
TRIL2WL9C	–	–	13.4 ± 0.2[g]	618[g]
TRIL23C	–	–	13.4 ± 0.2[g]	612[g]
GRANDL9C	–	–	13.0 ± 0.2	614
GRANDL12AL16C	–	–	11.3 ± 0.2	572
GRANDL16Pen	–	–	15.7 ± 0.2[d]	685
BABYL9C	–	–	13.5 ± 0.2	618
CSL9C	–	–	13.2 ± 0.2[g]	602[g]

^[a]From ref. [27].

^[b]From ref. [25].

^[c]From ref. [28].

^[d]From ref. [31].

^[e]An incorrect value (typo) of 15.3 was reported in ref. [31].

^[f]From ref. [30].

^[g]From ref. [29].