Properties

Disulfide bonds

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

Non-standard residues

Content subtype: bmr30731_3.str

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: 1, Chain length: 40, Sequence coverage: 52.5%

     --------10--------20--------30--------40
     DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVV
                    |||||||||| |||||||||||   
     ...............KLVFFAEDVG.NKGAIIGLMVG   
     --------10--------20--------30-------   
     

   • Total number of assignments
     • ¹³C chemical shifts: 78
     • 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)
         22	GLU	CD	181.72
         23	ASP	CG	181.537

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	177	76	42.9
         15N chemical shifts	43	20	46.5

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	80	42	52.5
         15N chemical shifts	40	20	50.0

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	97	34	35.1
         15N chemical shifts	3	0	0.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	24	11	45.8

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	25	0	0.0

   • Rotameric state of ILE , LEU, and VAL
     • 1:18:VAL, CG1: 20.83 ppm, CG2: None ppm
       • Rotameric_state (pred. by CS): gauche+ 40.5%, trans 32.4%, gauche- 27.1%
       • Rotameric_state (coordinates): unknown
     • 1:24:VAL, CG1: 20.828 ppm, CG2: 20.197 ppm
       • Rotameric_state (pred. by CS): gauche+ 42.5%, trans 22.1%, gauche- 35.4%
       • Rotameric_state (coordinates): unknown
     • 1:31:ILE, CD1: 13.505 ppm
       • Rotameric_state (pred. by CS): gauche+ 3.6%, trans 72.9%, gauche- 23.5%
       • Rotameric_state (coordinates): unknown
     • 1:32:ILE, CD1: 13.733 ppm
       • Rotameric_state (pred. by CS): gauche+ 3.8%, trans 76.8%, gauche- 19.4%
       • Rotameric_state (coordinates): unknown
     • 1:34:LEU, CD1: 25.139 ppm, CD2: None ppm
       • Rotameric_state (pred. by CS): gauche+ 47.6%, trans 52.4%, gauche- 0.0%
       • Rotameric_state (coordinates): unknown
     • 1:36:VAL, CG1: 20.586 ppm, CG2: None ppm
       • Rotameric_state (pred. by CS): gauche+ 43.8%, trans 31.2%, gauche- 25.1%
       • Rotameric_state (coordinates): unknown
   • Histogram of normalized assigned chemical shifts
   • Random coil index and derived parameters (S² and NMR RMSD)
     • Chain_ID: 1