Table 15N NMR chemical shift perturbations upon bond formations

Metal-binding
15N-nuclus
binding nuclus
bond
solvent
free (ppm)
bonded (ppm)
Δ (ppm)
ref.
N7(G10.1)
CdII
inner-sphere coordination
H2O
235.1 (0eq.)
215.5 (3eq.)
-19.6
1-3
N7(G10.1)
CdII
inner-sphere coordination
H2O
232.2 (0eq.)
211.7 (4eq.)
-20.5
4
N7(G10.1)
ZnII
inner-sphere coordination
H2O
232.2 (0eq.)
212.2 (4eq.)
-20.0
4
N7(G10.1)
MgII
not classified
H2O
232.2 (0eq.)
225.7 (10eq.)
-6.5
4
N7(G10.1)
Co(NH3)63+
outer-sphere binding
H2O
232.2 (0eq.)
232.6 (4eq.)
+0.4
4
N7(G)
Zn(NO3)2
inner-sphere coordination
DMSO
-
-
-20.1
5
N7(G)
Hg(NO3)2
inner-sphere coordination
DMSO
-
-
-20.5
5
N7(I)
Zn(NO3)2
inner-sphere coordination
DMSO
-
-
-15.2
6
N7(I)
Hg(NO3)2
inner-sphere coordination
DMSO
-
-
-4.8
6
N7(G)
Na+
eletrostatice interaction
H2O
234.0 (38eq.)
234.2 (63eq.)
+0.2
7
N7(G)
Na+
eletrostatice interaction
H2O
234.5 (38eq.)
234.6 (63eq.)
+0.1
7
N7(G)
K+
eletrostatice interaction
H2O
234.0 (0eq.)
234.5 (24eq.)
+0.5
7
N7(G)
K+
eletrostatice interaction
H2O
234.5 (0eq.)
234.8 (24eq.)
+0.3
7
N7(G)
Co(NH3)63+
outer-sphere binding
H2O
234.0 (0eq.)
240.3 (5eq.)
+6.3
7
N7(G)
Co(NH3)63+
outer-sphere binding
H2O
234.5 (0eq.)
236.4 (5eq.)
+1.9
7
N7(G)
MgII
not classified
H2O
234.0 (0eq.)
233.7 (5eq.)
-0.3
7
N7(G)
MgII
not classified
H2O
234.5 (0eq.)
233.7 (5eq.)
-0.8
7
N7(G)
CdII
not classified
H2O
234.0 (0eq.)
227.7 (5eq.)
-6.3
7
N7(G)
CdII
not classified
H2O
234.5 (0eq.)
227.7 (5eq.)
-6.8
7
N7(G)
ZnII
not classified
H2O
234.0 (0eq.)
230.8 (5eq.)
-3.2
7
N7(G)
ZnII
not classified
H2O
234.5 (0eq.)
231.3 (5eq.)
-3.2
7
Hydrogen-binding
N1(A)
H1-N1(G)
hydrogen bond acceptor
H2O
206.8
201.5
-5.3
8
N7(G)
H3-N3(C)
hydrogen bond acceptor
H2O
236.2
227.5
-8.7
9
N7(A)
H3-N3(T)
hydrogen bond acceptor
H2O
232.3
226.4
-5.9
9
N7(A)
NH2(G)
hydrogen bond acceptor
H2O
231.6
229.0
-2.6
10
N1(G)
N1(A)
hydrogen bond donor
H2O
145.0
147.5
+2.5
10
NH2(A)
O2(U)
hydrogen bond donor
H2O
74.7
80.0
+5.3
11
NH2(G)
O2(C)
hydrogen bond donor
H2O
70.0
71.7
+1.7
11
N1(G)
N3(C)
hydrogen bond donor
H2O
145.0
145.2
+0.2
11
N1(G)
N3(C)
hydrogen bond donor
H2O
148.3
145.9
-2.4
10
N1(G)
N3(C)
hydrogen bond donor
H2O
145.4
146.6
+0.2
12
N1(G)
O2(U)
hydrogen bond donor
H2O
146.2
139.8
-6.4
12
N1(G)
O2(U)
hydrogen bond donor
H2O
145.4
141.9
-3.5
12
N1(G)
O2(U)
hydrogen bond donor
H2O
145.2
141.7
-3.5
11
NH2(G)
N7(A)
hydrogen bond donor
H2O
70.0
74.1
+4.1
13
NH2(A)
N3(G)
hydrogen bond donor
H2O
74.5
79.2
+4.7
13
NH2(A)
O6(G)
hydrogen bond donor
H2O
75.3
83.5
+8.2
13
NH2(C)
O6(G)
hydrogen bond donor
H2O
93.0
98.3
+5.3
14
NH2(C)
O4(U)
hydrogen bond donor
H2O
93.0
95.6
+2.6
14
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