Properties

Disulfide bonds

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

Non-standard residues

Content subtype: bmr30479_3.str

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: 1, Chain length: 41, Sequence coverage: 100.0%

     --------10--------20--------30--------40-
     EHCADEKNFDCRRSLRNGDCDNDDKLLEMGYYCPVTCGFCX
     |||||||||||||||||||||||||||||||||||||||||
     EHCADEKNFDCRRSLRNGDCDNDDKLLEMGYYCPVTCGFCX
     

   • Total number of assignments
     • ¹H chemical shifts: 230
     • ¹³C chemical shifts: 76
     • ¹⁵N chemical shifts: 34
   • Completeness of assignments
     • Entity_assemble_ID: 1
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	233	216	92.7
         13C chemical shifts	168	76	45.2
         15N chemical shifts	46	34	73.9

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	82	80	97.6
         13C chemical shifts	80	37	46.3
         15N chemical shifts	40	34	85.0

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	151	136	90.1
         13C chemical shifts	88	39	44.3
         15N chemical shifts	6	0	0.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	11	7	63.6
         13C chemical shifts	11	1	9.1

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	20	18	90.0
         13C chemical shifts	20	0	0.0

   • Redox state of CYS
     • 1:3:CYS, CA: 55.723 ppm, CB: 41.85 ppm
       • Redox_state (pred. by CS): oxidized
     • 1:11:CYS, CA: None ppm, CB: 42.171 ppm
       • Redox_state (pred. by CS): oxidized
     • 1:20:CYS, CA: 55.04 ppm, CB: 38.041 ppm
       • Redox_state (pred. by CS): oxidized
     • 1:33:CYS, CA: 52.623 ppm, CB: 42.35 ppm
       • Redox_state (pred. by CS): oxidized
     • 1:40:CYS, CA: 55.484 ppm, CB: 43.55 ppm
       • Redox_state (pred. by CS): oxidized
   • Peptide bond of PRO
     • 1:34:PRO, CB: 30.852 ppm, CG: 29.344 ppm
       • Peptide_bond (pred. by CS): trans
   • Histogram of normalized assigned chemical shifts
   • Random coil index and derived parameters (S² and NMR RMSD)
     • Chain_ID: 1