Properties

Disulfide bonds

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

Non-standard residues

Content subtype: bmr114_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: 37, Sequence coverage: 97.3%

     --------10--------20--------30-------
     XFTNVSCTTSKECWSVCQRLHNTSRGKCMNKKCRCYS
      ||||||||||||||||||||||||||||||||||||
     .FTNVSCTTSKECWSVCQRLHNTSRGKCMNKKCRCYS
     

   • Total number of assignments
     • ¹H chemical shifts: 245
   • Completeness of assignments
     • Entity_assemble_ID: 1
       • Excluded Comp_ID in statistics

         Comp_index_ID	Comp_ID
         1	X

       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         11	LYS	HZ1	7.39
         11	LYS	HZ2	7.39
         11	LYS	HZ3	7.39
         27	LYS	HZ1	7.43
         27	LYS	HZ2	7.43
         27	LYS	HZ3	7.43
         31	LYS	HZ1	7.45
         31	LYS	HZ2	7.45
         31	LYS	HZ3	7.45
         32	LYS	HZ1	7.34
         32	LYS	HZ2	7.34
         32	LYS	HZ3	7.34

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	219	211	96.3

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	73	73	100.0

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	146	138	94.5

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	11	11	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	17	17	100.0

   • Histogram of normalized assigned chemical shifts
   • Random coil index and derived parameters (S² and NMR RMSD)
     • Chain_ID: 1