Properties

Disulfide bonds

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

Non-standard residues

Content subtype: bmr15546_3.str

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: 1, Chain length: 186, Sequence coverage: 33.3%
   • Total number of assignments
     • ¹³C chemical shifts: 201
     • ¹⁵N chemical shifts: 57
   • Completeness of assignments
   • Redox state of CYS
     • 1:44:CYS, CA: 59.06 ppm, CB: 27.86 ppm
       • Redox_state (pred. by CS): reduced
   • Rotameric state of ILE , LEU, and VAL
     • 1:23:LEU, CD1: 22.92 ppm, CD2: None ppm
       • Rotameric_state (pred. by CS): gauche+ 63.3%, trans 36.7%, gauche- 0.0%
       • Rotameric_state (coordinates): unknown
     • 1:30:LEU, CD1: 22.23 ppm, CD2: None ppm
       • Rotameric_state (pred. by CS): gauche+ 67.8%, trans 32.2%, gauche- 0.0%
       • Rotameric_state (coordinates): unknown
     • 1:54:VAL, CG1: 22.32 ppm, CG2: 21.2 ppm
       • Rotameric_state (pred. by CS): gauche+ 26.5%, trans 37.8%, gauche- 35.7%
       • Rotameric_state (coordinates): unknown
     • 1:72:VAL, CG1: 22.75 ppm, CG2: 21.17 ppm
       • Rotameric_state (pred. by CS): gauche+ 22.1%, trans 38.2%, gauche- 39.7%
       • Rotameric_state (coordinates): unknown
     • 1:75:VAL, CG1: 23.33 ppm, CG2: 21.56 ppm
       • Rotameric_state (pred. by CS): gauche+ 17.5%, trans 44.7%, gauche- 37.8%
       • Rotameric_state (coordinates): unknown
     • 1:85:VAL, CG1: 23.76 ppm, CG2: 21.78 ppm
       • Rotameric_state (pred. by CS): gauche+ 14.4%, trans 48.5%, gauche- 37.1%
       • Rotameric_state (coordinates): unknown
     • 1:156:VAL, CG1: 24.32 ppm, CG2: 23.06 ppm
       • Rotameric_state (pred. by CS): gauche+ 10.5%, trans 68.3%, gauche- 21.2%
       • Rotameric_state (coordinates): unknown
     • 1:158:VAL, CG1: 23.55 ppm, CG2: 21.9 ppm
       • Rotameric_state (pred. by CS): gauche+ 15.9%, trans 50.2%, gauche- 33.8%
       • Rotameric_state (coordinates): unknown
     • 1:160:VAL, CG1: 23.61 ppm, CG2: None ppm
       • Rotameric_state (pred. by CS): gauche+ 12.7%, trans 37.4%, gauche- 49.9%
       • Rotameric_state (coordinates): unknown
     • 1:161:VAL, CG1: 23.19 ppm, CG2: 21.48 ppm
       • Rotameric_state (pred. by CS): gauche+ 18.5%, trans 43.4%, gauche- 38.1%
       • Rotameric_state (coordinates): unknown
   • Histogram of normalized assigned chemical shifts
   • Random coil index and derived parameters (S² and NMR RMSD)
     • Chain_ID: 1