Properties

Disulfide bonds

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

Non-standard residues

Content subtype: bmr16940_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: 295, Sequence coverage: 92.9%

     --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
     TFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGRIVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIG
            |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ||||||||||||||||
     .......DCGLRPLFEKKSLEDKTERELLESYIDGRIVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLY.PWDKNFTENDLLVRIG
     
     -------110-------120-------130-------140-------150-------160-------170-------180-------190-------200
     KHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVN
     ||||||||| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||          |||||||
     KHSRTRYER.IEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKET..........SVLQVVN
     
     -------210-------220-------230-------240-------250-------260-------270-------280-------290-----
     LPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE
     ||||||||||||||||||||||||||||||||||||||  |||||||||||||||||||||||||||||||||||||||||||||||||||||||
     LPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACE..SGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE
     

   • Total number of assignments
     • ¹³C chemical shifts: 525
     • ¹H chemical shifts: 253
     • ¹⁵N chemical shifts: 253
   • Completeness of assignments
     • Entity_assemble_ID: 1
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	1366	525	38.4
         1H chemical shifts	1846	253	13.7
         15N chemical shifts	329	253	76.9

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	590	274	46.4
         1H chemical shifts	601	253	42.1
         15N chemical shifts	280	253	90.4

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	776	251	32.3
         1H chemical shifts	1245	0	0.0
         15N chemical shifts	49	0	0.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	150	11	7.3
         1H chemical shifts	150	0	0.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	154	0	0.0
         1H chemical shifts	163	0	0.0
         15N chemical shifts	9	0	0.0

   • Redox state of CYS
     • 1:9:CYS, CA: 52.17 ppm, CB: 39.56 ppm
       • Redox_state (pred. by CS): oxidized
     • 1:64:CYS, CA: 52.87 ppm, CB: 51.62 ppm
       • Redox_state (pred. by CS): oxidized
     • 1:80:CYS, CA: 56.61 ppm, CB: 41.0 ppm
       • Redox_state (pred. by CS): oxidized
     • 1:155:CYS, CA: 50.82 ppm, CB: 38.09 ppm
       • Redox_state (pred. by CS): oxidized
     • 1:209:CYS, CA: 54.1 ppm, CB: 35.04 ppm
       • Redox_state (pred. by CS): oxidized
     • 1:223:CYS, CA: 52.36 ppm, CB: 38.52 ppm
       • Redox_state (pred. by CS): oxidized
     • 1:237:CYS, CA: 51.35 ppm, CB: 33.91 ppm
       • Redox_state (pred. by CS): oxidized 95.5%, reduced 4.5%
     • 1:267:CYS, CA: 52.59 ppm, CB: 42.48 ppm
       • Redox_state (pred. by CS): oxidized
   • Peptide bond of PRO
     • 1:13:PRO, CB: 30.41 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 1.1%, trans 98.9%
     • 1:49:PRO, CB: 30.06 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 0.7%, trans 99.3%
     • 1:59:PRO, CB: 30.65 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 1.5%, trans 98.5%
     • 1:85:PRO, CB: 26.91 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): trans
     • 1:124:PRO, CB: 29.0 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): trans
     • 1:144:PRO, CB: 28.52 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): trans
     • 1:153:PRO, CB: 28.92 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): trans
     • 1:157:PRO, CB: 28.61 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): trans
     • 1:202:PRO, CB: 28.1 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): trans
     • 1:207:PRO, CB: 27.78 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): trans
     • 1:228:PRO, CB: 28.48 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): trans
     • 1:244:PRO, CB: 27.84 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): trans
     • 1:250:PRO, CB: 28.08 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): trans
   • Histogram of normalized assigned chemical shifts
   • Random coil index and derived parameters (S² and NMR RMSD)
     • Chain_ID: 1