Properties

Disulfide bonds

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

Non-standard residues

Content subtype: bmr507_3.str

Assigned chemical shifts

1. Saveframe: chemical_shift_assignment_data_set_one
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: 1, Chain length: 56, Sequence coverage: 96.4%

     --------10--------20--------30--------40--------50------
     LAAVSVDCSEYPKPACTLEYRPLCGSDNKTYGNKCNFCNAVVESNGTLTLSHFGKC
     |||||||||||||||||||||||| ||||| |||||||||||||||||||||||||
     LAAVSVDCSEYPKPACTLEYRPLC.SDNKT.GNKCNFCNAVVESNGTLTLSHFGKC
     

   • Total number of assignments
     • ¹³C chemical shifts: 110
   • Completeness of assignments
     • Entity_assemble_ID: 1
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	238	110	46.2

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	112	51	45.5

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	126	59	46.8

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	26	26	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	24	0	0.0

   • Redox state of CYS
     • 1:8:CYS, CA: 50.3 ppm, CB: None ppm
       • Redox_state (pred. by CS): oxidized 88.5%, reduced 11.5%
     • 1:16:CYS, CA: 50.6 ppm, CB: 38.7 ppm
       • Redox_state (pred. by CS): oxidized
     • 1:24:CYS, CA: 53.1 ppm, CB: 37.3 ppm
       • Redox_state (pred. by CS): oxidized
     • 1:35:CYS, CA: None ppm, CB: 35.2 ppm
       • Redox_state (pred. by CS): oxidized
     • 1:38:CYS, CA: 54.1 ppm, CB: None ppm
       • Redox_state (pred. by CS): oxidized 80.4%, reduced 19.6%
     • 1:56:CYS, CA: 53.3 ppm, CB: 36.6 ppm
       • Redox_state (pred. by CS): oxidized
   • Rotameric state of ILE , LEU, and VAL
     • 1:1:LEU, CD1: 23.0 ppm, CD2: 22.5 ppm
       • Rotameric_state (pred. by CS): gauche+ 45.0%, trans 55.0%, gauche- 0.0%
       • Rotameric_state (coordinates): unknown
     • 1:4:VAL, CG1: 18.8 ppm, CG2: 20.1 ppm
       • Rotameric_state (pred. by CS): gauche+ 69.8%, trans 13.5%, gauche- 16.7%
       • Rotameric_state (coordinates): unknown
     • 1:6:VAL, CG1: 20.2 ppm, CG2: 20.7 ppm
       • Rotameric_state (pred. by CS): gauche+ 52.9%, trans 23.8%, gauche- 23.3%
       • Rotameric_state (coordinates): unknown
     • 1:18:LEU, CD1: 21.5 ppm, CD2: 23.7 ppm
       • Rotameric_state (pred. by CS): gauche+ 72.0%, trans 28.0%, gauche- 0.0%
       • Rotameric_state (coordinates): unknown
     • 1:23:LEU, CD1: 24.2 ppm, CD2: 24.4 ppm
       • Rotameric_state (pred. by CS): gauche+ 52.0%, trans 48.0%, gauche- 0.0%
       • Rotameric_state (coordinates): unknown
     • 1:41:VAL, CG1: 19.4 ppm, CG2: 21.1 ppm
       • Rotameric_state (pred. by CS): gauche+ 63.7%, trans 22.3%, gauche- 14.0%
       • Rotameric_state (coordinates): unknown
     • 1:42:VAL, CG1: 19.4 ppm, CG2: 20.1 ppm
       • Rotameric_state (pred. by CS): gauche+ 62.2%, trans 16.0%, gauche- 21.8%
       • Rotameric_state (coordinates): unknown
     • 1:48:LEU, CD1: 21.5 ppm, CD2: 24.6 ppm
       • Rotameric_state (pred. by CS): gauche+ 81.0%, trans 19.0%, gauche- 0.0%
       • Rotameric_state (coordinates): unknown
     • 1:50:LEU, CD1: 22.8 ppm, CD2: 24.5 ppm
       • Rotameric_state (pred. by CS): gauche+ 67.0%, trans 33.0%, gauche- 0.0%
       • Rotameric_state (coordinates): unknown
   • Histogram of normalized assigned chemical shifts
   • Random coil index and derived parameters (S² and NMR RMSD)
     • Chain_ID: 1