Table 3.

The experimental and calculated pseudo-contact shifts, Δ^pc, for all the protons in Yb1.

1H Assignment	Δpc / ppm
	Experimental	Calculated
Ethylene group of cyclen under bridged arms a
ax S	86.9	85.5 ± 1.7
eqS	12.9	11.9 ± 1.4
eqC	13.9	15.1 ± 1.4
ax C	−24.5	22.4 ± 1.5
Ethylene group of cyclen under the independent arms b
ax S	90.4	86.5 ± 2.3
eq S	10.8	16.6 ± 4.6
eq C	0.9	2.7 ± 1.1
ax C	−57.5	−55.5 ± 1.6
α-Acetamide protons on bridging unit c
ac 1	−54.5	−56.8 ± 2.1
ac 2	−38.6	−41.0 ± 1.9
α-Acetamide protons on independent arms d
ac 1	−71.7	−72.9 ± 1.9
ac 2	−29.1	−31.9 ± 2.1
Bridging Unit e
br axS	4.7	5.0 ± 1.0
br eqS	−1.3	−1.5 ± 1.1
br eqC	13.5	10.4 ± 3.3
br axC	15.3	14.8 ± 1.5
br I	99.3	99.5 ± 1.1
br E	36.1	36.6 ± 1‥4

^a)labeled blue in Figure 4

^b)labeled red in Figure 4

^c)labeled green in Figure 4

^d)labeled orange in Figure 4

^e)labeled black in Figure 4