Properties

Disulfide bonds

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

Non-standard residues

Content subtype: bmr30961_3.str

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: 1, Chain length: 34, Sequence coverage: 100.0%

     --------10--------20--------30----
     GDCLGWFSGCDPNNNKCCEGYVCHWKYPWCRYDL
     ||||||||||||||||||||||||||||||||||
     GDCLGWFSGCDPNNNKCCEGYVCHWKYPWCRYDL
     

   • Total number of assignments
     • ¹H chemical shifts: 220
     • ¹³C chemical shifts: 25
     • ¹⁵N chemical shifts: 33
   • Completeness of assignments
     • Entity_assemble_ID: 1
       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         16	LYS	HZ1	7.536
         16	LYS	HZ2	7.536
         16	LYS	HZ3	7.536
         26	LYS	HZ1	7.538
         26	LYS	HZ2	7.538
         26	LYS	HZ3	7.538

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	207	202	97.6
         13C chemical shifts	153	25	16.3
         15N chemical shifts	39	33	84.6

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	70	69	98.6
         13C chemical shifts	68	9	13.2
         15N chemical shifts	32	26	81.2

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	137	133	97.1
         13C chemical shifts	85	16	18.8
         15N chemical shifts	7	7	100.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	6	6	100.0
         13C chemical shifts	6	4	66.7

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	37	36	97.3
         13C chemical shifts	34	0	0.0
         15N chemical shifts	3	3	100.0

   • Redox state of CYS
     • 1:10:CYS, CA: None ppm, CB: 47.04 ppm
       • Redox_state (pred. by CS): oxidized
     • 1:17:CYS, CA: None ppm, CB: 47.86 ppm
       • Redox_state (pred. by CS): oxidized
     • 1:18:CYS, CA: 52.774 ppm, CB: None ppm
       • Redox_state (pred. by CS): oxidized 85.0%, reduced 15.0%
   • Peptide bond of PRO
     • 1:12:PRO, CB: 29.457 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): trans
     • 1:28:PRO, CB: None ppm, CG: 24.634 ppm
       • Peptide_bond (pred. by CS): cis 95.6%, trans 4.4%
   • Rotameric state of ILE , LEU, and VAL
     • 1:4:LEU, CD1: 20.656 ppm, CD2: 23.587 ppm
       • Rotameric_state (pred. by CS): gauche+ 79.3%, trans 20.7%, gauche- 0.0%
       • Rotameric_state (coordinates): unknown
     • 1:22:VAL, CG1: 18.767 ppm, CG2: 15.365 ppm
       • Rotameric_state (pred. by CS): gauche+ 31.1%, trans 1.4%, gauche- 67.5%
       • Rotameric_state (coordinates): unknown
   • Histogram of normalized assigned chemical shifts
   • Random coil index and derived parameters (S² and NMR RMSD)
     • Chain_ID: 1