Properties

Disulfide bonds

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

Non-standard residues

Content subtype: bmr1657_3.str

Assigned chemical shifts

1. Saveframe: chemical_shift_assignment_data_set_one
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: 1, Chain length: 155, Sequence coverage: 100.0%

     --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
     MLKQVEIFTDGSCLGNPGPGGYGAILRYRGREKTFSAGYTRTTNNRMELMAAIVALEALKEHCEVILSTDSQYVRQGITQWIHNWKKRGWKTADKKPVKN
     ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
     MLKQVEIFTDGSCLGNPGPGGYGAILRYRGREKTFSAGYTRTTNNRMELMAAIVALEALKEHCEVILSTDSQYVRQGITQWIHNWKKRGWKTADKKPVKN
     
     -------110-------120-------130-------140-------150-----
     VDLWQRLDAALGQHQIKWEWVKGHAGHPENERCDELARAAAMNPTLEDTGYQVEV
     |||||||||||||||||||||||||||||||||||||||||||||||||||||||
     VDLWQRLDAALGQHQIKWEWVKGHAGHPENERCDELARAAAMNPTLEDTGYQVEV
     

   • Total number of assignments
     • ¹³C chemical shifts: 122
     • ¹H chemical shifts: 317
     • ¹⁵N chemical shifts: 148
   • Completeness of assignments
     • Entity_assemble_ID: 1
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	697	122	17.5
         1H chemical shifts	947	317	33.5
         15N chemical shifts	181	148	81.8

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	310	122	39.4
         1H chemical shifts	319	317	99.4
         15N chemical shifts	150	148	98.7

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	387	0	0.0
         1H chemical shifts	628	0	0.0
         15N chemical shifts	31	0	0.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	84	0	0.0
         1H chemical shifts	84	0	0.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	70	0	0.0
         1H chemical shifts	76	0	0.0
         15N chemical shifts	6	0	0.0

   • Redox state of CYS
     • 1:13:CYS, CA: 56.6 ppm, CB: None ppm
       • Redox_state (pred. by CS): oxidized 62.4%, reduced 37.6%
     • 1:63:CYS, CA: 57.0 ppm, CB: None ppm
       • Redox_state (pred. by CS): oxidized 58.1%, reduced 41.9%
     • 1:133:CYS, CA: 63.2 ppm, CB: None ppm
       • Redox_state (pred. by CS): oxidized 2.3%, reduced 97.7%
   • Histogram of normalized assigned chemical shifts
   • Random coil index and derived parameters (S² and NMR RMSD)
     • Chain_ID: 1