Properties

Disulfide bonds

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

Non-standard residues

Content subtype: bmr34564_3.str

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: 1, Chain length: 20, Sequence coverage: 100.0%

     --------10--------20
     SPRVCIRVCRNGVCYRRCWG
     ||||||||||||||||||||
     SPRVCIRVCRNGVCYRRCWG
     

   • Total number of assignments
     • ¹H chemical shifts: 139
     • ¹³C chemical shifts: 55
   • Completeness of assignments
     • Entity_assemble_ID: 1
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	124	123	99.2
         13C chemical shifts	88	55	62.5

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	41	40	97.6
         13C chemical shifts	40	9	22.5

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	83	83	100.0
         13C chemical shifts	48	46	95.8

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	8	8	100.0
         13C chemical shifts	8	8	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	10	10	100.0
         13C chemical shifts	9	7	77.8

   • Redox state of CYS
     • 1:5:CYS, CA: 55.222 ppm, CB: 48.492 ppm
       • Redox_state (pred. by CS): oxidized
     • 1:9:CYS, CA: 55.136 ppm, CB: 48.022 ppm
       • Redox_state (pred. by CS): oxidized
     • 1:14:CYS, CA: None ppm, CB: 47.705 ppm
       • Redox_state (pred. by CS): oxidized
     • 1:18:CYS, CA: 55.057 ppm, CB: 48.182 ppm
       • Redox_state (pred. by CS): oxidized
   • Peptide bond of PRO
     • 1:2:PRO, CB: 32.044 ppm, CG: 27.326 ppm
       • Peptide_bond (pred. by CS): trans
   • Rotameric state of ILE , LEU, and VAL
     • 1:4:VAL, CG1: 20.996 ppm, CG2: 20.523 ppm
       • Rotameric_state (pred. by CS): gauche+ 41.4%, trans 25.7%, gauche- 32.9%
       • Rotameric_state (coordinates): unknown
     • 1:6:ILE, CD1: 13.628 ppm
       • Rotameric_state (pred. by CS): gauche+ 3.7%, trans 75.0%, gauche- 21.3%
       • Rotameric_state (coordinates): unknown
     • 1:8:VAL, CG1: 20.516 ppm, CG2: 20.998 ppm
       • Rotameric_state (pred. by CS): gauche+ 49.0%, trans 28.1%, gauche- 22.9%
       • Rotameric_state (coordinates): unknown
     • 1:13:VAL, CG1: 21.152 ppm, CG2: 20.537 ppm
       • Rotameric_state (pred. by CS): gauche+ 39.3%, trans 26.4%, gauche- 34.3%
       • Rotameric_state (coordinates): unknown
   • Histogram of normalized assigned chemical shifts
   • Random coil index and derived parameters (S² and NMR RMSD)
     • Chain_ID: 1