Properties

Disulfide bonds

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

Non-standard residues

Content subtype: bmr6214_3.str

Assigned chemical shifts

1. Saveframe: shift_set_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: 1, Chain length: 15, Sequence coverage: 100.0%

     --------10-----
     INWKGIAAMAKKLLG
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     INWKGIAAMAKKLLG
     

   • Total number of assignments
     • ¹³C chemical shifts: 75
     • ¹⁵N chemical shifts: 20
   • Completeness of assignments
     • Entity_assemble_ID: 1
       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         2	ASN	CG	177.0
         3	TRP	CG	111.5
         3	TRP	CD2	128.8
         3	TRP	CE2	139.8
         4	LYS	NZ	32.3
         11	LYS	NZ	32.3
         12	LYS	NZ	32.3

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	71	71	100.0
         15N chemical shifts	17	17	100.0

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	30	30	100.0
         15N chemical shifts	15	15	100.0

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	41	41	100.0
         15N chemical shifts	2	2	100.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	12	12	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	5	5	100.0
         15N chemical shifts	1	1	100.0

   • Rotameric state of ILE , LEU, and VAL
     • 1:1:ILE, CD1: 13.3 ppm
       • Rotameric_state (pred. by CS): gauche+ 3.4%, trans 69.3%, gauche- 27.3%
       • Rotameric_state (coordinates): unknown
     • 1:6:ILE, CD1: 14.3 ppm
       • Rotameric_state (pred. by CS): gauche+ 4.3%, trans 86.6%, gauche- 9.1%
       • Rotameric_state (coordinates): unknown
     • 1:13:LEU, CD1: 24.3 ppm, CD2: 24.1 ppm
       • Rotameric_state (pred. by CS): gauche+ 48.0%, trans 52.0%, gauche- 0.0%
       • Rotameric_state (coordinates): unknown
     • 1:14:LEU, CD1: 24.7 ppm, CD2: 24.1 ppm
       • Rotameric_state (pred. by CS): gauche+ 44.0%, trans 56.0%, 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