Properties

Disulfide bonds

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

Non-standard residues

Content subtype: bmr34509_3.str

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: 1, Chain length: 30, Sequence coverage: 100.0%

     --------10--------20--------30
     SNKGAIIGLMVGGVVIATMIVITLVMLKKK
     ||||||||||||||||||||||||||||||
     SNKGAIIGLMVGGVVIATMIVITLVMLKKK
     

   • Total number of assignments
     • ¹H chemical shifts: 231
     • ¹³C chemical shifts: 106
     • ¹⁵N chemical shifts: 29
   • Completeness of assignments
     • Entity_assemble_ID: 1
       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         1	SER	HG	7.762

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	178	172	96.6
         13C chemical shifts	140	106	75.7
         15N chemical shifts	31	29	93.5

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	64	63	98.4
         13C chemical shifts	60	30	50.0
         15N chemical shifts	30	29	96.7

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	114	109	95.6
         13C chemical shifts	80	76	95.0
         15N chemical shifts	1	0	0.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	33	29	87.9
         13C chemical shifts	33	30	90.9

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)

   • Rotameric state of ILE , LEU, and VAL
     • 1:6:ILE, CD1: 11.135 ppm
       • Rotameric_state (pred. by CS): gauche+ 1.6%, trans 31.8%, gauche- 66.6%
       • Rotameric_state (coordinates): unknown
     • 1:7:ILE, CD1: 11.046 ppm
       • Rotameric_state (pred. by CS): gauche+ 1.5%, trans 30.3%, gauche- 68.3%
       • Rotameric_state (coordinates): unknown
     • 1:9:LEU, CD1: 23.481 ppm, CD2: 21.906 ppm
       • Rotameric_state (pred. by CS): gauche+ 34.2%, trans 65.8%, gauche- 0.0%
       • Rotameric_state (coordinates): unknown
     • 1:11:VAL, CG1: 21.103 ppm, CG2: 19.737 ppm
       • Rotameric_state (pred. by CS): gauche+ 36.4%, trans 18.7%, gauche- 44.9%
       • Rotameric_state (coordinates): unknown
     • 1:14:VAL, CG1: 21.097 ppm, CG2: 19.835 ppm
       • Rotameric_state (pred. by CS): gauche+ 37.1%, trans 19.5%, gauche- 43.4%
       • Rotameric_state (coordinates): unknown
     • 1:15:VAL, CG1: 21.103 ppm, CG2: 19.786 ppm
       • Rotameric_state (pred. by CS): gauche+ 36.7%, trans 19.1%, gauche- 44.2%
       • Rotameric_state (coordinates): unknown
     • 1:16:ILE, CD1: 10.813 ppm
       • Rotameric_state (pred. by CS): gauche+ 1.3%, trans 26.2%, gauche- 72.5%
       • Rotameric_state (coordinates): unknown
     • 1:20:ILE, CD1: 11.715 ppm
       • Rotameric_state (pred. by CS): gauche+ 2.1%, trans 41.8%, gauche- 56.1%
       • Rotameric_state (coordinates): unknown
     • 1:21:VAL, CG1: 21.696 ppm, CG2: 19.786 ppm
       • Rotameric_state (pred. by CS): gauche+ 29.0%, trans 20.0%, gauche- 51.0%
       • Rotameric_state (coordinates): unknown
     • 1:22:ILE, CD1: 11.647 ppm
       • Rotameric_state (pred. by CS): gauche+ 2.0%, trans 40.7%, gauche- 57.3%
       • Rotameric_state (coordinates): unknown
     • 1:24:LEU, CD1: 23.946 ppm, CD2: 21.434 ppm
       • Rotameric_state (pred. by CS): gauche+ 24.9%, trans 75.1%, gauche- 0.0%
       • Rotameric_state (coordinates): unknown
     • 1:25:VAL, CG1: 21.643 ppm, CG2: 19.786 ppm
       • Rotameric_state (pred. by CS): gauche+ 29.7%, trans 19.9%, gauche- 50.4%
       • Rotameric_state (coordinates): unknown
     • 1:27:LEU, CD1: 23.946 ppm, CD2: 21.609 ppm
       • Rotameric_state (pred. by CS): gauche+ 26.6%, trans 73.4%, 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