Properties

Disulfide bonds

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

Non-standard residues

Content subtype: bmr4909_3.str

Assigned chemical shifts

1. Saveframe: shift_set_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: 1, Chain length: 143, Sequence coverage: 99.3%

     --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
     GAPAGPLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPD
      |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
     .APAGPLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPD
     
     -------110-------120-------130-------140---
     HFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI
     |||||||||||||||||||||||||||||||||||||||||||
     HFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI
     

   • Total number of assignments
     • ¹H chemical shifts: 836
     • ¹³C chemical shifts: 275
     • ¹⁵N chemical shifts: 124
   • Completeness of assignments
     • Entity_assemble_ID: 1
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	890	694	78.0
         13C chemical shifts	662	275	41.5
         15N chemical shifts	160	124	77.5

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	285	276	96.8
         13C chemical shifts	286	142	49.7
         15N chemical shifts	132	124	93.9

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	605	418	69.1
         13C chemical shifts	376	133	35.4
         15N chemical shifts	28	0	0.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	87	71	81.6
         13C chemical shifts	87	9	10.3

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	66	0	0.0
         13C chemical shifts	65	0	0.0
         15N chemical shifts	1	0	0.0

   • Redox state of CYS
     • 1:66:CYS, CA: 55.37 ppm, CB: 32.06 ppm
       • Redox_state (pred. by CS): oxidized 33.8%, reduced 66.2%
   • Peptide bond of PRO
     • 1:3:PRO, CB: 31.59 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 6.6%, trans 93.4%
     • 1:6:PRO, CB: 32.06 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 14.5%, trans 85.5%
     • 1:10:PRO, CB: 34.44 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 97.3%, trans 2.7%
     • 1:14:PRO, CB: 32.54 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 30.4%, trans 69.6%
     • 1:16:PRO, CB: 31.11 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 3.0%, trans 97.0%
     • 1:21:PRO, CB: 31.11 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 3.0%, trans 97.0%
     • 1:33:PRO, CB: 31.59 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 6.6%, trans 93.4%
     • 1:54:PRO, CB: 31.11 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 3.0%, trans 97.0%
     • 1:84:PRO, CB: 31.11 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 3.0%, trans 97.0%
     • 1:90:PRO, CB: 33.01 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 54.2%, trans 45.8%
     • 1:99:PRO, CB: 31.59 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 6.6%, trans 93.4%
   • Rotameric state of ILE , LEU, and VAL
     • 1:20:VAL, CG1: 117.16 ppm, CG2: None ppm
       • Rotameric_state (pred. by CS): gauche+
       • Rotameric_state (coordinates): unknown
   • Histogram of normalized assigned chemical shifts
   • Random coil index and derived parameters (S² and NMR RMSD)
     • Chain_ID: 1