Table 1.
Experiments used for measurement of MQ CCR rates
| first mechanism | second mechanism | MQ coherence (I1-S1) | intervening angles | type of experimenta,b | reference |
|---|---|---|---|---|---|
| dipole-dipole | dipole-dipole | ||||
| HNi - Ni | Hαi - Cαi | Ni / Cαi | φ | 3D HNCA: DIAI; 3D TROSY-HNCA; 3D HNCA: DIAI; 3D HNCA: ACE; 2D HNCA: DIAI; 3D HNCA: MMQ | 45, 46, 47, 48, 49, 50 |
| HNi - Ni | Hβi – Cβi (Ile, Thr, Val) | Ni / Cβi | φ, χ1 | 3D HN(CA)CB: MMQ | 27 |
| HNi - Ni | Cγi – Cβi (aromatic, ASX) | Ni / Cβi | φ, χ1 | 3D HN(CA)CB: ACE | 26 |
| HNi - Ni | HNi+1 - Ni+1 | Ni / Ni+1 | φ, ω, ψ | 2D HN(CACO)N: DIAI; 3D HN(CA)CON: DIAI; 3D HNCA(CO)N: DIAI | 17, 50, 50 |
| Hαi - Cαi | Hβ(2,3)i - Cβi | Cαi / Cβi | χ1 | 3D HBHA(CBCACO)NH: DIAI | 25 |
| Hαi - Cαi | HNi+1 - Ni+1 | Cαi / Ni+1 | ψ, ω | 3D HN(CO)CA: ACE, MMQ; 2D HN(CO)CA: DIAI; 3D HNCA: DIAI; 3D TROSY-HNCA; 3D HN(CO)CA: DIAI | 4/48/51, 52, 53, 45, 54, 46, 47 |
| Hαi - Cαi | Hαi+1 - Cαi+1 | Cαi / Cαi+1 | ψ, ω, φ | 2D HNCA/CA: DIAI; 3D HNCA(CO)CA | 55, 50 |
| Hαi - Cαi | Hαj - Cαj | Hαi / Hαj | N/A | 2D HACACAHA: DIAI | 23 |
| Hβi – Cβi (Ile, Thr, Val) | HNi+1 - Ni+1 | Cβi / Ni+1 | ω, ψ, χ1 | 3D HN(CA)CB: MMQ | 27 |
| Cγi – Cβi (aromatic, ASX) | HNi+1 - Ni+1 | Cβi / Ni+1 | ω, ψ, χ1 | 3D HN(COCA)CB: ACE | 26 |
| Cαi - C’i + Cαi - Ni+1 | HNi+1 - Ni+1 + HNi+1 - C’i | C’i / Ni+1 | ω | 2D H(N)CO: MMQ; 3D HNCO: MMQ; 3D HNCO: ACE, MMQ | 56, 56, 57/57 |
| dipole-dipole | CSA | ||||
| HNi - Ni | C’i | Ni / C’i | φ, ψ | 3D HN(CA)CO: MMQ | 58 |
| Hαi - Cαi | Ni | Ni / Cαi | φ | 3D TROSY-ZQ/DQ-HNCA | 46 |
| Hαi - Cαi | C’i | Cαi / C’i | ψ | 3D HN(CO)CA: ACE, MMQ, DIAI; 2D HN(CO)CA: ACE | 59, 60, 61, 54 |
| Hαi - Cαi | Ni+1 | Cαi / Ni+1 | ψ, ω | 3D HN(CO)CA: ACE; 3D TROSY-ZQ/DQ-HNCA | 51, 46 |
| HNi+1 - Ni+1 | C’i | C’i / Ni+1 | ω | 2D HNCO: ACE; 2D H(N)CO: MMQ; 3D HNCO: MMQ | 62, 56, 56 |
| Hαi+1 - Cαi+1 | C’i | C’i / Cαi+1 | ω, φ | 3D HNCA/CO: ACE; 2D HNCA: DIAI | 63, 49 |
| CSA | CSA | ||||
| HNi | Ni | HNi / Ni | N/A | 2D HN-HMQC: DIAI; 1D HN: ACE | 64, 65 |
| Ni | Ni+1 | Ni / Ni+1 | φ, ψ, ω | 2D HN(COCA)N: DIAI | 17 |
| Ni+1 | C’i | C’i / Ni+1 | ω | 2D HNCO: ACE | 66 |
| C’i | C’i+1 | C’i / C’i+1 | ω, φ, ψ | 3D HNCO/(CA)CO: ACE | 22 |
| C’i | C’j | C’i / C’j | across hydrogen bond | 3D HNCO/CO: ACE | 22 |
| CSM | CSM | ||||
| HNi | Ni | HNi / Ni | 2D HN-HMQC; DIAI | 41/42/64/67 | |
| Cαi | Cβi | Cαi / Cβi | χ1 | 3D HN(CO)CACB | 24 |
| Cαi | C’i | Cαi / C’i | ψ | 2D TROSY-HNCOCA: DIAI | 68 |
| Cαi | Ni+1 | Cαi / Ni+1 | ψ, ω | 2D TROSY-HN(CO)CA: DIAI | 68 |
| Cαi | Cαi+1 | Cαi / Cαi+1 | ψ, ω, φ | 2D TROSY-HNCA | 68/69 |
| C’i | Ni+1 | C’i / Ni+1 | ω | 2D HNCO: DIAI; 2D TROSY-HNCO: DIAI; 2D CON: DIAI | 43/44, 68, 69 |
ACE (all component evolution) and MMQ (mixed multiple-quantum evolution) experiments employ a JI1I2- and JS1S2-resolved constant time evolution period of separate and mixed zero- and double-quantum coherences, respectively; DIAI (double inphase-antiphase inversion) experiments are quantitative Γ experiments, where ‘reference’ and ‘transfer’ subspectra are recorded
In principle, DD(I1I2)/CSA(S1), CSA(I1)/DD(S1S2), CSA(I1)/CSA(S1) and CSM(I1)/CSM(S1) can also be extracted from an ACE-type experiment designed to measure DD(I1I2)/DD(S1S2). Similarly, CSM/CSM cannot be separated spectroscopically from CSA/CSA and vice versa, and neither from DD(I1K)/(S1K) with any spin K ≠ I1, S1. If not explicitly demonstrated in the according publications, these experiments are not listed.