Properties

Disulfide bonds

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

Non-standard residues

Content subtype: bmr28062_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: 94.3%

     --------10--------20--------30--------40--------50--------60--------70--------80--------
     HDPAVIHENASQPEVLVPIRLDMEIDGQKLRDAFTWNMNEKLMTPEMFSEILCDDLDLNPLTFVPAIASAIRQQIESYPTDSILEDQS
      ||||||  |  ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
     .DPAVIH..A..PEVLVPIRLDMEIDGQKLRDAFTWNMNEKLMTPEMFSEILCDDLDLNPLTFVPAIASAIRQQIESYPTDSILEDQS
     

   • Total number of assignments
     • ¹H chemical shifts: 75
     • ¹⁵N chemical shifts: 75
     • ¹³C chemical shifts: 157
   • Completeness of assignments
     • Entity_assemble_ID: 1
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	533	75	14.1
         15N chemical shifts	94	75	79.8
         13C chemical shifts	401	157	39.2

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	170	75	44.1
         15N chemical shifts	81	75	92.6
         13C chemical shifts	176	78	44.3

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	363	0	0.0
         15N chemical shifts	13	0	0.0
         13C chemical shifts	225	79	35.1

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	56	0	0.0
         13C chemical shifts	56	5	8.9

       • Aromatic group atoms

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

   • Redox state of CYS
     • 1:53:CYS, CA: 64.94 ppm, CB: 26.05 ppm
       • Redox_state (pred. by CS): reduced
   • Peptide bond of PRO
     • 1:3:PRO, CB: 31.76 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 8.8%, trans 91.2%
     • 1:13:PRO, CB: 31.72 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 8.2%, trans 91.8%
     • 1:18:PRO, CB: 31.29 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 4.1%, trans 95.9%
     • 1:45:PRO, CB: 31.49 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 5.6%, trans 94.4%
     • 1:60:PRO, CB: 32.02 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 13.5%, trans 86.5%
     • 1:65:PRO, CB: 30.43 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 1.1%, trans 98.9%
     • 1:79:PRO, CB: 30.86 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 2.1%, trans 97.9%
   • Histogram of normalized assigned chemical shifts
   • Random coil index and derived parameters (S² and NMR RMSD)
     • Chain_ID: 1