Properties

Disulfide bonds

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

Non-standard residues

Content subtype: bmr30827_3.str

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: 1, Chain length: 28, Sequence coverage: 100.0%

     --------10--------20--------
     GFCWHHSCVPSGTCADFPWPLGHQCFPD
     ||||||||||||||||||||||||||||
     GFCWHHSCVPSGTCADFPWPLGHQCFPD
     

   • Total number of assignments
     • ¹H chemical shifts: 172
     • ¹³C chemical shifts: 54
     • ¹⁵N chemical shifts: 23
   • Completeness of assignments
     • Entity_assemble_ID: 1
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	161	160	99.4
         13C chemical shifts	127	54	42.5
         15N chemical shifts	27	23	85.2

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	55	55	100.0
         13C chemical shifts	56	22	39.3
         15N chemical shifts	24	23	95.8

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	106	105	99.1
         13C chemical shifts	71	32	45.1
         15N chemical shifts	3	0	0.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	6	6	100.0
         13C chemical shifts	6	1	16.7

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	33	32	97.0
         13C chemical shifts	31	0	0.0
         15N chemical shifts	2	0	0.0

   • Redox state of CYS
     • 1:3:CYS, CA: 55.085 ppm, CB: None ppm
       • Redox_state (pred. by CS): oxidized 75.0%, reduced 25.0%
     • 1:8:CYS, CA: 55.629 ppm, CB: None ppm
       • Redox_state (pred. by CS): oxidized 71.2%, reduced 28.8%
     • 1:14:CYS, CA: 55.99 ppm, CB: 49.734 ppm
       • Redox_state (pred. by CS): oxidized
     • 1:25:CYS, CA: None ppm, CB: 46.662 ppm
       • Redox_state (pred. by CS): oxidized
   • Peptide bond of PRO
     • 1:10:PRO, CB: 32.393 ppm, CG: 27.33 ppm
       • Peptide_bond (pred. by CS): trans
     • 1:18:PRO, CB: 32.231 ppm, CG: 28.062 ppm
       • Peptide_bond (pred. by CS): trans
     • 1:20:PRO, CB: 33.375 ppm, CG: 24.538 ppm
       • Peptide_bond (pred. by CS): cis
     • 1:27:PRO, CB: 33.707 ppm, CG: 27.356 ppm
       • Peptide_bond (pred. by CS): cis 2.1%, trans 97.9%
   • Histogram of normalized assigned chemical shifts
   • Random coil index and derived parameters (S² and NMR RMSD)
     • Chain_ID: 1