Properties

Disulfide bonds

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

Non-standard residues

Content subtype: bmr51618_3.str

Assigned chemical shifts

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

     --------10--------20
     XPRPGGGGNGDFEEIPEEYL
     ||||||||||||||||||||
     XPRPGGGGNGDFEEIPEEYL
     

   • Total number of assignments
     • ¹H chemical shifts: 127
     • ¹³C chemical shifts: 94
     • ¹⁵N chemical shifts: 17
   • Completeness of assignments
     • Entity_assemble_ID: 1
       • Excluded Comp_ID in statistics

         Comp_index_ID	Comp_ID
         1	DPN

       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         3	ARG	CZ	159.685
         9	ASN	CG	177.303
         11	ASP	CG	179.265
         12	PHE	CG	139.019
         19	TYR	CG	137.437
         19	TYR	CZ	157.151

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	110	110	100.0
         13C chemical shifts	79	79	100.0
         15N chemical shifts	18	17	94.4

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	40	40	100.0
         13C chemical shifts	38	38	100.0
         15N chemical shifts	16	16	100.0

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	70	70	100.0
         13C chemical shifts	41	41	100.0
         15N chemical shifts	2	1	50.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	4	4	100.0
         13C chemical shifts	4	4	100.0

       • Aromatic group atoms

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

   • Peptide bond of PRO
     • 1:2:PRO, CB: 32.211 ppm, CG: 26.843 ppm
       • Peptide_bond (pred. by CS): trans
     • 1:4:PRO, CB: 32.033 ppm, CG: 27.53 ppm
       • Peptide_bond (pred. by CS): trans
     • 1:16:PRO, CB: 32.208 ppm, CG: 27.562 ppm
       • Peptide_bond (pred. by CS): trans
   • Rotameric state of ILE , LEU, and VAL
     • 1:15:ILE, CD1: 12.779 ppm
       • Rotameric_state (pred. by CS): gauche+ 3.0%, trans 60.3%, gauche- 36.7%
       • Rotameric_state (coordinates): unknown
     • 1:20:LEU, CD1: 25.312 ppm, CD2: 23.531 ppm
       • Rotameric_state (pred. by CS): gauche+ 32.2%, trans 67.8%, 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