Properties

Disulfide bonds

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

Non-standard residues

Content subtype: bmr6112_3.str

Assigned chemical shifts

1. Saveframe: shift_set_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: 1, Chain length: 88, Sequence coverage: 93.2%

     --------10--------20--------30--------40--------50--------60--------70--------80--------
     GSHMEHPKPSACRNLFGPVDHEELTRDLEKHCRDMEEASQRKWNFDFQNHKPLEGKYEWQEVEKGSLPEFYYRPPRPPKGACKVPAQE
         ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| || |||||||||||
     ....EHPKPSACRNLFGPVDHEELTRDLEKHCRDMEEASQRKWNFDFQNHKPLEGKYEWQEVEKGSLPEFYYR.PR.PKGACKVPAQE
     

   • Total number of assignments
     • ¹H chemical shifts: 74
     • ¹³C chemical shifts: 82
     • ¹⁵N chemical shifts: 74
   • Completeness of assignments
     • Entity_assemble_ID: 1
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	575	74	12.9
         13C chemical shifts	409	82	20.0
         15N chemical shifts	93	74	79.6

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	171	74	43.3
         13C chemical shifts	176	82	46.6
         15N chemical shifts	78	74	94.9

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	404	0	0.0
         13C chemical shifts	233	0	0.0
         15N chemical shifts	15	0	0.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	23	0	0.0
         13C chemical shifts	23	0	0.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	54	0	0.0
         13C chemical shifts	52	0	0.0
         15N chemical shifts	2	0	0.0

   • Redox state of CYS
     • 1:12:CYS, CA: 58.61 ppm, CB: None ppm
       • Redox_state (pred. by CS): oxidized 37.7%, reduced 62.3%
     • 1:32:CYS, CA: 59.95 ppm, CB: None ppm
       • Redox_state (pred. by CS): oxidized 21.1%, reduced 78.9%
     • 1:82:CYS, CA: 58.41 ppm, CB: None ppm
       • Redox_state (pred. by CS): oxidized 40.3%, reduced 59.7%
   • Histogram of normalized assigned chemical shifts
   • Random coil index and derived parameters (S² and NMR RMSD)
     • Chain_ID: 1