Properties

Disulfide bonds

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

Non-standard residues

Content subtype: bmr30903_3.str

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: 1, Chain length: 25, Sequence coverage: 96.0%

     --------10--------20-----
     NLVSDIIGSKKHMEKLISIIKKCRX
     |||||||||||||||||||||||| 
     NLVSDIIGSKKHMEKLISIIKKCR 
     --------10--------20---- 
     

   • Total number of assignments
     • ¹H chemical shifts: 149
     • ¹³C chemical shifts: 87
     • ¹⁵N chemical shifts: 25
   • Completeness of assignments
     • Entity_assemble_ID: 1
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	163	121	74.2
         13C chemical shifts	116	87	75.0
         15N chemical shifts	27	25	92.6

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	49	49	100.0
         13C chemical shifts	48	24	50.0
         15N chemical shifts	25	24	96.0

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	114	72	63.2
         13C chemical shifts	68	63	92.6
         15N chemical shifts	2	1	50.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	17	14	82.4
         13C chemical shifts	17	14	82.4

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	2	0	0.0
         13C chemical shifts	2	0	0.0

   • Redox state of CYS
     • 1:23:CYS, CA: 56.508 ppm, CB: 28.618 ppm
       • Redox_state (pred. by CS): reduced
   • Rotameric state of ILE , LEU, and VAL
     • 1:2:LEU, CD1: 24.011 ppm, CD2: None ppm
       • Rotameric_state (pred. by CS): gauche+ 55.7%, trans 44.3%, gauche- 0.0%
       • Rotameric_state (coordinates): unknown
     • 1:3:VAL, CG1: 21.172 ppm, CG2: 21.221 ppm
       • Rotameric_state (pred. by CS): gauche+ 40.4%, trans 33.8%, gauche- 25.9%
       • Rotameric_state (coordinates): unknown
     • 1:6:ILE, CD1: 14.452 ppm
       • Rotameric_state (pred. by CS): gauche+ 4.4%, trans 89.3%, gauche- 6.3%
       • Rotameric_state (coordinates): unknown
     • 1:7:ILE, CD1: 14.947 ppm
       • Rotameric_state (pred. by CS): gauche+ 4.7%, trans 95.3%, gauche- 0.0%
       • Rotameric_state (coordinates): unknown
     • 1:16:LEU, CD1: 24.98 ppm, CD2: None ppm
       • Rotameric_state (pred. by CS): gauche+ 48.8%, trans 51.2%, gauche- 0.0%
       • Rotameric_state (coordinates): unknown
     • 1:17:ILE, CD1: 13.07 ppm
       • Rotameric_state (pred. by CS): gauche+ 3.2%, trans 65.3%, gauche- 31.5%
       • Rotameric_state (coordinates): unknown
     • 1:19:ILE, CD1: 13.22 ppm
       • Rotameric_state (pred. by CS): gauche+ 3.4%, trans 67.9%, gauche- 28.7%
       • Rotameric_state (coordinates): unknown
     • 1:20:ILE, CD1: 14.12 ppm
       • Rotameric_state (pred. by CS): gauche+ 4.1%, trans 83.5%, gauche- 12.4%
       • Rotameric_state (coordinates): unknown
   • Histogram of normalized assigned chemical shifts
   • Random coil index and derived parameters (S² and NMR RMSD)
     • Chain_ID: 1