Properties

Disulfide bonds

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

Non-standard residues

Content subtype: bmr15102_3.str

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: 1, Chain length: 129, Sequence coverage: 97.7%

     --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
     MILSNTTAVTPFLTKLWQETVQQGGNMSGLARRSPRSGDGKLEALYVLMVLGFFGFFTLGIMLSYIRSKKLEHSNDPFNVYIESDAWQEKDKAYVQARVL
     |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||  |||||||||||
     MILSNTTAVTPFLTKLWQETVQQGGNMSGLARRSPRSGDGKLEALYVLMVLGFFGFFTLGIMLSYIRSKKLEHSNDPFNVYIESDAW..KDKAYVQARVL
     --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
     
     -------110-------120---------
     ESYKSCYVVENHLAIEQPNTHLPETKPSP
     |||||||||||||||||||||||||||| 
     ESYKSCYVVENHLAIEQPNTHLPETKPS 
     -------110-------120-------- 
     

   • Total number of assignments
     • ¹H chemical shifts: 499
     • ¹³C chemical shifts: 336
     • ¹⁵N chemical shifts: 112
   • Completeness of assignments
     • Entity_assemble_ID: 1
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	799	401	50.2
         13C chemical shifts	603	336	55.7
         15N chemical shifts	141	112	79.4

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	259	156	60.2
         13C chemical shifts	258	236	91.5
         15N chemical shifts	122	112	91.8

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	540	245	45.4
         13C chemical shifts	345	100	29.0
         15N chemical shifts	19	0	0.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	75	49	65.3
         13C chemical shifts	75	6	8.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	72	0	0.0
         13C chemical shifts	70	0	0.0
         15N chemical shifts	2	0	0.0

   • Redox state of CYS
     • 1:106:CYS, CA: 59.775 ppm, CB: 27.344 ppm
       • Redox_state (pred. by CS): reduced
   • Peptide bond of PRO
     • 1:11:PRO, CB: 30.134 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 0.7%, trans 99.3%
     • 1:35:PRO, CB: 31.057 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 2.8%, trans 97.2%
     • 1:118:PRO, CB: 31.213 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 3.6%, trans 96.4%
     • 1:123:PRO, CB: 31.101 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 3.0%, trans 97.0%
     • 1:127:PRO, CB: 31.336 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 4.4%, trans 95.6%
   • Histogram of normalized assigned chemical shifts
   • Random coil index and derived parameters (S² and NMR RMSD)
     • Chain_ID: 1