Method: simulated annealing, explicit solvent / Software ordinal: 1 Details: NOE, Dihedral angles, RDC and symmetry restraints, explicit solvent refinement and full electrostatics
NMR constraints
NOE constraints total: 2146 / NOE intraresidue total count: 520 / NOE long range total count: 188 / NOE medium range total count: 630 / NOE sequential total count: 752
NMR representative
Selection criteria: lowest energy
NMR ensemble
Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 200 / Conformers submitted total number: 20 / Maximum lower distance constraint violation: 0.2 Å / Maximum upper distance constraint violation: 0.5 Å
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