Properties

Disulfide bonds

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

Non-standard residues

Content subtype: bmr1375_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: 38, Sequence coverage: 86.8%

     --------10--------20--------30--------
     EYRPLCGSDNKTYGNKCNFCNAVVESNGTLTLSHFGKC
     |||||| ||||| |||   |||||||||||||||||||
     EYRPLC.SDNKT.GNK...CNAVVESNGTLTLSHFGKC
     

   • Total number of assignments
     • ¹³C chemical shifts: 64
   • Completeness of assignments
     • Entity_assemble_ID: 1
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	161	64	39.8

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	76	33	43.4

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	85	31	36.5

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	14	14	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	20	0	0.0

   • Redox state of CYS
     • 1:6:CYS, CA: 53.0 ppm, CB: None ppm
       • Redox_state (pred. by CS): oxidized 84.4%, reduced 15.6%
     • 1:20:CYS, CA: 54.0 ppm, CB: None ppm
       • Redox_state (pred. by CS): oxidized 80.8%, reduced 19.2%
     • 1:38:CYS, CA: 53.3 ppm, CB: None ppm
       • Redox_state (pred. by CS): oxidized 83.4%, reduced 16.6%
   • Rotameric state of ILE , LEU, and VAL
     • 1:5:LEU, CD1: 24.0 ppm, CD2: 24.4 ppm
       • Rotameric_state (pred. by CS): gauche+ 54.0%, trans 46.0%, gauche- 0.0%
       • Rotameric_state (coordinates): unknown
     • 1:23:VAL, CG1: 19.4 ppm, CG2: 21.0 ppm
       • Rotameric_state (pred. by CS): gauche+ 63.7%, trans 21.6%, gauche- 14.6%
       • Rotameric_state (coordinates): unknown
     • 1:24:VAL, CG1: 19.8 ppm, CG2: 19.8 ppm
       • Rotameric_state (pred. by CS): gauche+ 55.4%, trans 15.7%, gauche- 28.9%
       • Rotameric_state (coordinates): unknown
     • 1:30:LEU, CD1: 21.7 ppm, CD2: 24.7 ppm
       • Rotameric_state (pred. by CS): gauche+ 80.0%, trans 20.0%, gauche- 0.0%
       • Rotameric_state (coordinates): unknown
     • 1:32:LEU, CD1: 22.9 ppm, CD2: 24.6 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