Properties

Disulfide bonds

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

Non-standard residues

Content subtype: bmr15711_3.str

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: 1, Chain length: 153, Sequence coverage: 98.7%

     --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
     ATKAVAVLKGDGPVQGIINFEQKESNGPVKVWGSIKGLTEGLHGFHVHEEEDNTAGCTSAGPHFNPLSRKHGGPKDEERHVGDLGNVTADKDGVADVSIE
     |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| |||||||||||||||||
     ATKAVAVLKGDGPVQGIINFEQKESNGPVKVWGSIKGLTEGLHGFHVHEEEDNTAGCTSAGPHFNPLSRKHGGPKDEERHVG.LGNVTADKDGVADVSIE
     
     -------110-------120-------130-------140-------150---
     DSVISLSGDHAIIGRTLVVHEKADDLGKGGNEESTKTGNAGSRLACGVIGIAQ
     ||||||||||||||||||||||||||||||||||||||||||| |||||||||
     DSVISLSGDHAIIGRTLVVHEKADDLGKGGNEESTKTGNAGSR.ACGVIGIAQ
     

   • Total number of assignments
     • ¹³C chemical shifts: 442
     • ¹H chemical shifts: 150
     • ¹⁵N chemical shifts: 150
   • Completeness of assignments
     • Entity_assemble_ID: 1
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	627	423	67.5
         1H chemical shifts	832	143	17.2
         15N chemical shifts	163	143	87.7

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	306	298	97.4
         1H chemical shifts	325	142	43.7
         15N chemical shifts	148	142	95.9

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	321	125	38.9
         1H chemical shifts	507	1	0.2
         15N chemical shifts	15	1	6.7

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	84	12	14.3
         1H chemical shifts	84	0	0.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	36	0	0.0
         1H chemical shifts	37	1	2.7
         15N chemical shifts	1	1	100.0

   • Redox state of CYS
     • 1:57:CYS, CA: 55.879 ppm, CB: 41.126 ppm
       • Redox_state (pred. by CS): oxidized
     • 1:146:CYS, CA: 54.994 ppm, CB: 45.52 ppm
       • Redox_state (pred. by CS): oxidized
   • Peptide bond of PRO
     • 1:13:PRO, CB: 32.622 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 34.1%, trans 65.9%
     • 1:28:PRO, CB: 33.023 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 54.9%, trans 45.1%
     • 1:62:PRO, CB: 34.727 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 98.7%, trans 1.3%
     • 1:66:PRO, CB: 32.175 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 17.4%, trans 82.6%
     • 1:74:PRO, CB: 32.247 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 19.5%, trans 80.5%
   • Histogram of normalized assigned chemical shifts
   • Random coil index and derived parameters (S² and NMR RMSD)
     • Chain_ID: 1