Properties

Disulfide bonds

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

Non-standard residues

Content subtype: bmr1975_3.str

Assigned chemical shifts

1. Saveframe: chemical_shift_assignment_data_set_one
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: 1, Chain length: 129, Sequence coverage: 16.3%
   • Total number of assignments
     • ¹³C chemical shifts: 33
   • Completeness of assignments
   • Tautomeric state of HIS
     • 1:15:HIS, CG: 130.45 ppm, CD2: None ppm, ND1: None ppm, ND2: None ppm
       • Tautomeric_state (pred. by CS): biprotonated 91.9%, tau-tautomer 3.0%, pi-tautomer 5.0%
       • Tautomeric_state (coordinates): unknown
   • Rotameric state of ILE , LEU, and VAL
     • 1:17:LEU, CD1: None ppm, CD2: 19.72 ppm
       • Rotameric_state (pred. by CS): gauche+ 2.9%, trans 97.1%, gauche- 0.0%
       • Rotameric_state (coordinates): unknown
     • 1:55:ILE, CD1: 13.26 ppm
       • Rotameric_state (pred. by CS): gauche+ 3.4%, trans 68.6%, gauche- 28.0%
       • Rotameric_state (coordinates): unknown
     • 1:56:LEU, CD1: 18.63 ppm, CD2: None ppm
       • Rotameric_state (pred. by CS): gauche+ 85.6%, trans 14.4%, gauche- 0.0%
       • Rotameric_state (coordinates): unknown
     • 1:75:LEU, CD1: 16.99 ppm, CD2: 16.99 ppm
       • Rotameric_state (pred. by CS): gauche+ 50.0%, trans 50.0%, gauche- 0.0%
       • Rotameric_state (coordinates): unknown
     • 1:88:ILE, CD1: 13.71 ppm
       • Rotameric_state (pred. by CS): gauche+ 3.8%, trans 76.4%, gauche- 19.8%
       • Rotameric_state (coordinates): unknown
     • 1:98:ILE, CD1: 14.26 ppm
       • Rotameric_state (pred. by CS): gauche+ 4.2%, trans 85.9%, gauche- 9.8%
       • Rotameric_state (coordinates): unknown
     • 1:99:VAL, CG1: 20.59 ppm, CG2: None ppm
       • Rotameric_state (pred. by CS): gauche+ 43.7%, trans 31.2%, gauche- 25.1%
       • Rotameric_state (coordinates): unknown
     • 1:109:VAL, CG1: 19.2 ppm, CG2: None ppm
       • Rotameric_state (pred. by CS): gauche+ 62.2%, trans 23.1%, gauche- 14.7%
       • Rotameric_state (coordinates): unknown
   • Histogram of normalized assigned chemical shifts
   • Random coil index and derived parameters (S² and NMR RMSD)
     • Chain_ID: 1