Properties

Disulfide bonds

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

Non-standard residues

Content subtype: bmr28064_3.str

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: 1, Chain length: 88, Sequence coverage: 98.9%

     --------10--------20--------30--------40--------50--------60--------70--------80--------
     HDPAVIHENASQPEVLVPIRLDMEIDGQKLRDAFTWNMNEKLMTPEMFSEILCDDLDLNPLTFVPAIASAIRQQIESYPTDSILEDQS
     |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| |
     HDPAVIHENASQPEVLVPIRLDMEIDGQKLRDAFTWNMNEKLMTPEMFSEILCDDLDLNPLTFVPAIASAIRQQIESYPTDSILED.S
     

   • Total number of assignments
     • ¹H chemical shifts: 78
     • ¹³C chemical shifts: 170
     • ¹⁵N chemical shifts: 78
   • Completeness of assignments
     • Entity_assemble_ID: 1
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	533	78	14.6
         13C chemical shifts	401	170	42.4
         15N chemical shifts	94	78	83.0

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	170	78	45.9
         13C chemical shifts	176	85	48.3
         15N chemical shifts	81	78	96.3

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	363	0	0.0
         13C chemical shifts	225	85	37.8
         15N chemical shifts	13	0	0.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	56	0	0.0
         13C chemical shifts	56	6	10.7

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	29	0	0.0
         13C chemical shifts	28	0	0.0
         15N chemical shifts	1	0	0.0

   • Redox state of CYS
     • 1:53:CYS, CA: 64.33 ppm, CB: 25.91 ppm
       • Redox_state (pred. by CS): reduced
   • Peptide bond of PRO
     • 1:3:PRO, CB: 31.92 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 11.5%, trans 88.5%
     • 1:13:PRO, CB: 31.96 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 12.3%, trans 87.7%
     • 1:18:PRO, CB: 31.65 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 7.3%, trans 92.7%
     • 1:45:PRO, CB: 31.92 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 11.5%, trans 88.5%
     • 1:60:PRO, CB: 32.34 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 22.6%, trans 77.4%
     • 1:65:PRO, CB: 30.41 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 1.1%, trans 98.9%
     • 1:79:PRO, CB: 31.38 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 4.7%, trans 95.3%
   • Histogram of normalized assigned chemical shifts
   • Random coil index and derived parameters (S² and NMR RMSD)
     • Chain_ID: 1