Properties

Disulfide bonds

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

Non-standard residues

Content subtype: bmr15580_3.str

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: 1, Chain length: 22, Sequence coverage: 100.0%

     --------10--------20--
     STWVLVGGVLAALAAYCLSTGS
     ||||||||||||||||||||||
     STWVLVGGVLAALAAYCLSTGS
     

   • Total number of assignments
     • ¹H chemical shifts: 140
     • ¹³C chemical shifts: 58
   • Completeness of assignments
     • Entity_assemble_ID: 1
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	106	100	94.3
         13C chemical shifts	92	58	63.0

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	47	46	97.9
         13C chemical shifts	44	18	40.9

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	59	54	91.5
         13C chemical shifts	48	40	83.3

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	20	20	100.0
         13C chemical shifts	20	16	80.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	10	9	90.0
         13C chemical shifts	9	9	100.0

   • Redox state of CYS
     • 1:17:CYS, CA: None ppm, CB: 27.3 ppm
       • Redox_state (pred. by CS): reduced
   • Rotameric state of ILE , LEU, and VAL
     • 1:4:VAL, CG1: 21.28 ppm, CG2: 21.55 ppm
       • Rotameric_state (pred. by CS): gauche+ 39.0%, trans 38.0%, gauche- 23.0%
       • Rotameric_state (coordinates): unknown
     • 1:5:LEU, CD1: 24.94 ppm, CD2: 23.73 ppm
       • Rotameric_state (pred. by CS): gauche+ 37.9%, trans 62.1%, gauche- 0.0%
       • Rotameric_state (coordinates): unknown
     • 1:6:VAL, CG1: 22.19 ppm, CG2: 21.17 ppm
       • Rotameric_state (pred. by CS): gauche+ 27.9%, trans 37.1%, gauche- 35.0%
       • Rotameric_state (coordinates): unknown
     • 1:9:VAL, CG1: 22.45 ppm, CG2: 21.32 ppm
       • Rotameric_state (pred. by CS): gauche+ 25.3%, trans 39.8%, gauche- 35.0%
       • Rotameric_state (coordinates): unknown
     • 1:10:LEU, CD1: 25.32 ppm, CD2: None ppm
       • Rotameric_state (pred. by CS): gauche+ 46.3%, trans 53.7%, gauche- 0.0%
       • Rotameric_state (coordinates): unknown
     • 1:13:LEU, CD1: 24.98 ppm, CD2: 23.66 ppm
       • Rotameric_state (pred. by CS): gauche+ 36.8%, trans 63.2%, gauche- 0.0%
       • Rotameric_state (coordinates): unknown
     • 1:18:LEU, CD1: 24.98 ppm, CD2: None ppm
       • Rotameric_state (pred. by CS): gauche+ 48.8%, trans 51.2%, gauche- 0.0%
       • Rotameric_state (coordinates): unknown
   • Histogram of normalized assigned chemical shifts
   • Random coil index and derived parameters (S² and NMR RMSD)
     • Chain_ID: 1