Properties

Disulfide bonds

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

Non-standard residues

Content subtype: bmr30792_3.str

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: 1, Chain length: 12, Sequence coverage: 100.0%

     --------10--
     GCHYTPFGLICF
     ||||||||||||
     GCHYTPFGLICF
     

   • Total number of assignments
     • ¹H chemical shifts: 72
     • ¹³C chemical shifts: 25
   • Completeness of assignments
     • Entity_assemble_ID: 1
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	71	62	87.3
         13C chemical shifts	59	25	42.4

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	25	24	96.0
         13C chemical shifts	24	10	41.7

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	46	38	82.6
         13C chemical shifts	35	15	42.9

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	5	5	100.0
         13C chemical shifts	5	4	80.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	16	8	50.0
         13C chemical shifts	16	0	0.0

   • Redox state of CYS
     • 1:2:CYS, CA: 56.05038041 ppm, CB: None ppm
       • Redox_state (pred. by CS): oxidized 67.7%, reduced 32.3%
     • 1:11:CYS, CA: 55.27157583 ppm, CB: 46.65354355 ppm
       • Redox_state (pred. by CS): oxidized
   • Peptide bond of PRO
     • 1:6:PRO, CB: 31.84726524 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 10.2%, trans 89.8%
   • Rotameric state of ILE , LEU, and VAL
     • 1:9:LEU, CD1: 24.95208013 ppm, CD2: 24.95208013 ppm
       • Rotameric_state (pred. by CS): gauche+ 50.0%, trans 50.0%, 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