Properties

Disulfide bonds

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

Non-standard residues

Content subtype: bmr30778_3.str

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: 1, Chain length: 13, Sequence coverage: 92.3%

     --------10---
     IFGTILGFLKGLX
     |||||||||||| 
     IFGTILGFLKGL 
     --------10-- 
     

   • Total number of assignments
     • ¹H chemical shifts: 86
     • ¹³C chemical shifts: 40
     • ¹⁵N chemical shifts: 10
   • Completeness of assignments
     • Entity_assemble_ID: 1
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	78	64	82.1
         13C chemical shifts	62	40	64.5
         15N chemical shifts	13	10	76.9

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	27	25	92.6
         13C chemical shifts	24	12	50.0
         15N chemical shifts	13	10	76.9

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	51	39	76.5
         13C chemical shifts	38	28	73.7

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	11	11	100.0
         13C chemical shifts	11	11	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	10	0	0.0
         13C chemical shifts	10	0	0.0

   • Rotameric state of ILE , LEU, and VAL
     • 1:1:ILE, CD1: 12.425 ppm
       • Rotameric_state (pred. by CS): gauche+ 2.7%, trans 54.1%, gauche- 43.2%
       • Rotameric_state (coordinates): unknown
     • 1:5:ILE, CD1: 12.96 ppm
       • Rotameric_state (pred. by CS): gauche+ 3.1%, trans 63.4%, gauche- 33.5%
       • Rotameric_state (coordinates): unknown
     • 1:6:LEU, CD1: 24.083 ppm, CD2: 23.074 ppm
       • Rotameric_state (pred. by CS): gauche+ 39.9%, trans 60.1%, gauche- 0.0%
       • Rotameric_state (coordinates): unknown
     • 1:9:LEU, CD1: 24.996 ppm, CD2: 21.973 ppm
       • Rotameric_state (pred. by CS): gauche+ 19.8%, trans 80.2%, gauche- 0.0%
       • Rotameric_state (coordinates): unknown
     • 1:12:LEU, CD1: 24.842 ppm, CD2: 22.437 ppm
       • Rotameric_state (pred. by CS): gauche+ 26.0%, trans 74.0%, 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