Properties

Disulfide bonds

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

Non-standard residues

Content subtype: bmr508_3.str

Assigned chemical shifts

1. Saveframe: chemical_shift_assignment_data_set_one
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: 1, Chain length: 18, Sequence coverage: 100.0%

     --------10--------
     LAAVSVDCSEYPKPACTL
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     LAAVSVDCSEYPKPACTL
     

   • Total number of assignments
     • ¹³C chemical shifts: 37
   • Completeness of assignments
     • Entity_assemble_ID: 1
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	77	37	48.1

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	36	18	50.0

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	41	19	46.3

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	12	12	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	4	0	0.0

   • Redox state of CYS
     • 1:8:CYS, CA: 50.6 ppm, CB: None ppm
       • Redox_state (pred. by CS): oxidized 88.3%, reduced 11.7%
     • 1:16:CYS, CA: 52.1 ppm, CB: None ppm
       • Redox_state (pred. by CS): oxidized 86.5%, reduced 13.5%
   • Rotameric state of ILE , LEU, and VAL
     • 1:1:LEU, CD1: 23.0 ppm, CD2: 22.4 ppm
       • Rotameric_state (pred. by CS): gauche+ 44.0%, trans 56.0%, gauche- 0.0%
       • Rotameric_state (coordinates): unknown
     • 1:4:VAL, CG1: 20.1 ppm, CG2: 18.8 ppm
       • Rotameric_state (pred. by CS): gauche+ 44.5%, trans 10.6%, gauche- 44.9%
       • Rotameric_state (coordinates): unknown
     • 1:6:VAL, CG1: 20.3 ppm, CG2: 20.6 ppm
       • Rotameric_state (pred. by CS): gauche+ 51.3%, trans 23.5%, gauche- 25.2%
       • Rotameric_state (coordinates): unknown
     • 1:18:LEU, CD1: 22.3 ppm, CD2: 23.7 ppm
       • Rotameric_state (pred. by CS): gauche+ 64.0%, trans 36.0%, gauche- 0.0%
       • Rotameric_state (coordinates): unknown
   • Histogram of normalized assigned chemical shifts
   • Random coil index and derived parameters (S² and NMR RMSD)
     • Chain_ID: 1