Properties

Disulfide bonds

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

Non-standard residues

Content subtype: bmr16393_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: 285, Sequence coverage: 61.8%

     --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
     TTGIIMENVTAFWEEGFGELLEKVQQSNGDRKHSSDENNVSFSHLCLVGNPVLKNINLNIEKGEMLAITGSTGSGKTSLLMLILGELEASEGIIKHSGRV
      ||||||||||||                     |||||||||  |||||  |||||||||||||||||        ||||||||||||||||||| |||
     .TGIIMENVTAFW.....................SDENNVSFS..CLVGN..LKNINLNIEKGEMLAIT........SLLMLILGELEASEGIIKH.GRV
     
     -------110-------120-------130-------140-------150-------160-------170-------180-------190-------200
     SFCSQFSWIMPGTIKENIIFGVSYDEYRYKSVVKACQLQQDITKFAEQDNTVLGEGGVTLSGGQRARISLARAVYKDADLYLLDSPFGYLDVFTEEQVFE
     |||||| || |||||||||||||           ||| ||| ||||||||||||  | |             |||||||  |||        |    | |
     SFCSQF.WI.PGTIKENIIFGVS...........ACQ.QQD.TKFAEQDNTVLG..G.T.............AVYKDAD..LLD........F....V.E
     
     -------210-------220-------230-------240-------250-------260-------270-------280-----
     SCVCKLMANKTRILVTSKMEHLRKADKILILHQGSSYFYGTFSELQSLRPDFSSKLMGYDTFDQFTEERRSSILTETLRRFSVDD
     ||||||||||||||||      |||||| ||||||||||||||||      ||||||||    ||||||           |||||
     SCVCKLMANKTRILVT......RKADKI.ILHQGSSYFYGTFSEL......FSSKLMGY....QFTEER...........FSVDD
     

   • Total number of assignments
     • ¹H chemical shifts: 170
     • ¹³C chemical shifts: 166
     • ¹⁵N chemical shifts: 170
   • Completeness of assignments
     • Entity_assemble_ID: 1
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	1721	170	9.9
         13C chemical shifts	1298	166	12.8
         15N chemical shifts	319	170	53.3

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	589	170	28.9
         13C chemical shifts	570	166	29.1
         15N chemical shifts	281	170	60.5

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	1132	0	0.0
         13C chemical shifts	728	0	0.0
         15N chemical shifts	38	0	0.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	166	0	0.0
         13C chemical shifts	166	0	0.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	138	0	0.0
         13C chemical shifts	136	0	0.0
         15N chemical shifts	2	0	0.0

   • Redox state of CYS
     • 1:46:CYS, CA: 58.73 ppm, CB: None ppm
       • Redox_state (pred. by CS): oxidized 36.1%, reduced 63.9%
     • 1:103:CYS, CA: 56.53 ppm, CB: None ppm
       • Redox_state (pred. by CS): oxidized 63.1%, reduced 36.9%
     • 1:136:CYS, CA: 60.68 ppm, CB: None ppm
       • Redox_state (pred. by CS): oxidized 14.1%, reduced 85.9%
     • 1:202:CYS, CA: 60.39 ppm, CB: None ppm
       • Redox_state (pred. by CS): oxidized 16.7%, reduced 83.3%
     • 1:204:CYS, CA: 61.15 ppm, CB: None ppm
       • Redox_state (pred. by CS): oxidized 10.5%, reduced 89.5%
   • Histogram of normalized assigned chemical shifts
   • Random coil index and derived parameters (S² and NMR RMSD)
     • Chain_ID: 1