Properties

Disulfide bonds

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

Non-standard residues

Content subtype: bmr30952_3.str

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: 1, Chain length: 31, Sequence coverage: 100.0%

     --------10--------20--------30-
     NVVPCFCVEDETSGAKTCIPDNCDASRGTNP
     |||||||||||||||||||||||||||||||
     NVVPCFCVEDETSGAKTCIPDNCDASRGTNP
     

   • Total number of assignments
     • ¹H chemical shifts: 171
     • ¹³C chemical shifts: 66
   • Completeness of assignments
     • Entity_assemble_ID: 1
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	161	153	95.0
         13C chemical shifts	121	66	54.5

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	61	60	98.4
         13C chemical shifts	62	30	48.4

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	100	93	93.0
         13C chemical shifts	59	36	61.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	13	9	69.2
         13C chemical shifts	13	2	15.4

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	5	4	80.0
         13C chemical shifts	5	0	0.0

   • Redox state of CYS
     • 1:5:CYS, CA: 54.509 ppm, CB: None ppm
       • Redox_state (pred. by CS): oxidized 78.4%, reduced 21.6%
     • 1:7:CYS, CA: 55.288 ppm, CB: 48.154 ppm
       • Redox_state (pred. by CS): oxidized
     • 1:18:CYS, CA: 55.605 ppm, CB: 40.048 ppm
       • Redox_state (pred. by CS): oxidized
     • 1:23:CYS, CA: 56.173 ppm, CB: None ppm
       • Redox_state (pred. by CS): oxidized 66.6%, reduced 33.4%
   • Peptide bond of PRO
     • 1:4:PRO, CB: 31.928 ppm, CG: 27.262 ppm
       • Peptide_bond (pred. by CS): trans
     • 1:31:PRO, CB: 31.965 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 12.4%, trans 87.6%
   • Histogram of normalized assigned chemical shifts
   • Random coil index and derived parameters (S² and NMR RMSD)
     • Chain_ID: 1