Properties

Disulfide bonds

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

Non-standard residues

Content subtype: bmr4331_3.str

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: 1, Chain length: 113, Sequence coverage: 92.0%

     --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
     GAPSALYAPSALVLTVGKGVSATTAAPERAVTLTCAPGPSGTHPAAGSACADLAAVGGDLNALTRGEDVMCPMVYDPVLLTVDGVWQGKRVSYERVFSNE
              |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
     .........SALVLTVGKGVSATTAAPERAVTLTCAPGPSGTHPAAGSACADLAAVGGDLNALTRGEDVMCPMVYDPVLLTVDGVWQGKRVSYERVFSNE
     
     -------110---
     CEMNAHGSSVFAF
     |||||||||||||
     CEMNAHGSSVFAF
     

   • Total number of assignments
     • ¹H chemical shifts: 98
     • ¹³C chemical shifts: 198
     • ¹⁵N chemical shifts: 98
   • Completeness of assignments
     • Entity_assemble_ID: 1
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	584	98	16.8
         13C chemical shifts	466	198	42.5
         15N chemical shifts	114	98	86.0

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	230	98	42.6
         13C chemical shifts	226	198	87.6
         15N chemical shifts	105	98	93.3

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	354	0	0.0
         13C chemical shifts	240	0	0.0
         15N chemical shifts	9	0	0.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	73	0	0.0
         13C chemical shifts	73	0	0.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	37	0	0.0
         13C chemical shifts	36	0	0.0
         15N chemical shifts	1	0	0.0

   • Redox state of CYS
     • 1:35:CYS, CA: 53.4 ppm, CB: None ppm
       • Redox_state (pred. by CS): oxidized 83.1%, reduced 16.9%
     • 1:50:CYS, CA: 59.4 ppm, CB: None ppm
       • Redox_state (pred. by CS): oxidized 27.5%, reduced 72.5%
     • 1:71:CYS, CA: 51.6 ppm, CB: None ppm
       • Redox_state (pred. by CS): oxidized 87.3%, reduced 12.7%
     • 1:101:CYS, CA: 60.4 ppm, CB: None ppm
       • Redox_state (pred. by CS): oxidized 16.6%, reduced 83.4%
   • Histogram of normalized assigned chemical shifts
   • Random coil index and derived parameters (S² and NMR RMSD)
     • Chain_ID: 1