Properties

Disulfide bonds

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

Non-standard residues

Content subtype: bmr15303_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: 228, Sequence coverage: 99.6%

     --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
     GPLGSPAATTLPDGAAAESLVESSEVAVIGFFKDVESDSAKQFLQAAEAIDDIPFGITSNSDVFSKYQLDKDGVVLFKKFDEGRNNFEGEVTKENLLDFI
      |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
     .PLGSPAATTLPDGAAAESLVESSEVAVIGFFKDVESDSAKQFLQAAEAIDDIPFGITSNSDVFSKYQLDKDGVVLFKKFDEGRNNFEGEVTKENLLDFI
     
     -------110-------120-------130-------140-------150-------160-------170-------180-------190-------200
     KHNQLPLVIEFTEQTAPKIFGGEIKTHILLFLPKSVSDYDGKLSNFKTAAESFKGKILFIFIDSDHTDNQRILEFFGLKKEECPAVRLITLEEEMTKYKP
     ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
     KHNQLPLVIEFTEQTAPKIFGGEIKTHILLFLPKSVSDYDGKLSNFKTAAESFKGKILFIFIDSDHTDNQRILEFFGLKKEECPAVRLITLEEEMTKYKP
     
     -------210-------220--------
     ESEELTAERITEFCHRFLEGKIKPHLMS
     ||||||||||||||||||||||||||||
     ESEELTAERITEFCHRFLEGKIKPHLMS
     

   • Total number of assignments
     • ¹³C chemical shifts: 685
     • ¹H chemical shifts: 1161
     • ¹⁵N chemical shifts: 223
   • Completeness of assignments
     • Entity_assemble_ID: 1
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	1069	656	61.4
         1H chemical shifts	1405	927	66.0
         15N chemical shifts	236	215	91.1

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	456	442	96.9
         1H chemical shifts	460	445	96.7
         15N chemical shifts	218	215	98.6

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	613	214	34.9
         1H chemical shifts	945	482	51.0
         15N chemical shifts	18	0	0.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	128	15	11.7
         1H chemical shifts	128	113	88.3

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	122	0	0.0
         1H chemical shifts	122	0	0.0

   • Redox state of CYS
     • 1:183:CYS, CA: 58.2 ppm, CB: 27.4 ppm
       • Redox_state (pred. by CS): reduced
     • 1:214:CYS, CA: 64.5 ppm, CB: 27.4 ppm
       • Redox_state (pred. by CS): reduced
   • Peptide bond of PRO
     • 1:2:PRO, CB: 32.1 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 15.4%, trans 84.6%
     • 1:6:PRO, CB: 32.0 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 13.1%, trans 86.9%
     • 1:12:PRO, CB: 32.7 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 37.8%, trans 62.2%
     • 1:54:PRO, CB: 32.5 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 28.7%, trans 71.3%
     • 1:106:PRO, CB: 31.8 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 9.4%, trans 90.6%
     • 1:117:PRO, CB: 30.8 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 1.9%, trans 98.1%
     • 1:133:PRO, CB: 31.6 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 6.7%, trans 93.3%
     • 1:184:PRO, CB: 36.0 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis
     • 1:200:PRO, CB: 31.2 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 3.5%, trans 96.5%
     • 1:224:PRO, CB: 32.3 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 21.2%, trans 78.8%
   • Histogram of normalized assigned chemical shifts
   • Random coil index and derived parameters (S² and NMR RMSD)
     • Chain_ID: 1