Properties

Disulfide bonds

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

Non-standard residues

Content subtype: bmr5358_3.str

Assigned chemical shifts

1. Saveframe: BPTI_shifts_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: 1, Chain length: 58, Sequence coverage: 98.3%

     --------10--------20--------30--------40--------50--------
     RPDFCLEPPYTGPCKARIIRYFYNAKAGLCQTFVYGGCRAKRNNFKSAEDCMRTCGGA
      |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
     .PDFCLEPPYTGPCKARIIRYFYNAKAGLCQTFVYGGCRAKRNNFKSAEDCMRTCGGA
     

   • Total number of assignments
     • ¹³C chemical shifts: 109
     • ¹H chemical shifts: 93
     • ¹⁵N chemical shifts: 53
   • Completeness of assignments
     • Entity_assemble_ID: 1
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	258	109	42.2
         1H chemical shifts	352	93	26.4
         15N chemical shifts	64	53	82.8

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	116	109	94.0
         1H chemical shifts	118	93	78.8
         15N chemical shifts	54	53	98.1

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	142	0	0.0
         1H chemical shifts	234	0	0.0
         15N chemical shifts	10	0	0.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	20	0	0.0
         1H chemical shifts	20	0	0.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	36	0	0.0
         1H chemical shifts	36	0	0.0

   • Redox state of CYS
     • 1:5:CYS, CA: 57.9 ppm, CB: None ppm
       • Redox_state (pred. by CS): oxidized 47.0%, reduced 53.0%
     • 1:14:CYS, CA: 61.1 ppm, CB: None ppm
       • Redox_state (pred. by CS): oxidized 10.9%, reduced 89.1%
     • 1:30:CYS, CA: 58.0 ppm, CB: None ppm
       • Redox_state (pred. by CS): oxidized 45.7%, reduced 54.3%
     • 1:38:CYS, CA: 55.6 ppm, CB: None ppm
       • Redox_state (pred. by CS): oxidized 71.4%, reduced 28.6%
     • 1:51:CYS, CA: 58.9 ppm, CB: None ppm
       • Redox_state (pred. by CS): oxidized 33.8%, reduced 66.2%
     • 1:55:CYS, CA: 54.5 ppm, CB: None ppm
       • Redox_state (pred. by CS): oxidized 78.4%, reduced 21.6%
   • Histogram of normalized assigned chemical shifts
   • Random coil index and derived parameters (S² and NMR RMSD)
     • Chain_ID: 1