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Comparison of angles between transition dipoles for the 1-2 and 1-3 crosspeak regions from experiment and PDB structure-based simulation.
| Experiment | Calculation | |
|---|---|---|
| HD (regions 1 and 2) | 60° | 55° |
| HD (regions 1-3) | 50° | 42° |
| DH (regions 1 and 2) | 50° | 53° |
| DH (regions 2 and 3) | 70° | 69° |
