Properties

Disulfide bonds

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

Non-standard residues

Content subtype: bmr6628_3.str

Assigned chemical shifts

1. Saveframe: chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: 1, Chain length: 264, Sequence coverage: 85.2%

     --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
     GPLGSGQYKDNIRHGVCWIYYPDGGSLVGEVNEDGEMTGEKIAYVYPDERTALYGKFIDGEMIEGKLATLMSTEEGRPHFELMPGNSVYHFDKSTSSCIS
      ||  |||||||||||||||||||||||||||||||||| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
     .PL..GQYKDNIRHGVCWIYYPDGGSLVGEVNEDGEMTG.KIAYVYPDERTALYGKFIDGEMIEGKLATLMSTEEGRPHFELMPGNSVYHFDKSTSSCIS
     
     -------110-------120-------130-------140-------150-------160-------170-------180-------190-------200
     TNALLPDPYESERVYVAESLISSAGEGLFSKVAVGPNTVMSFYNGVRITHQEVDSRDWALNGNTLSLDEETVIDVPEPYNHVSKYCASLGHKANHSFTPN
     |||||||   ||||||||||  ||||| || ||||||||||||||||||||||||||||||||||||||||||     ||||||||| |||||  |||||
     TNALLPD...SERVYVAESL..SAGEG.FS.VAVGPNTVMSFYNGVRITHQEVDSRDWALNGNTLSLDEETVI.....YNHVSKYCA.LGHKA..SFTPN
     
     -------210-------220-------230-------240-------250-------260----
     CIYDMFVHPRFGPIKCIRTLRAVEADEELTVAYGYDHSPPGKSGPEAPEWYQVELKAFQATQQK
     |  ||||      |||||  ||||||    ||||||    |||| || ||||||||||||||||
     C..DMFV......IKCIR..RAVEAD....VAYGYD....GKSG.EA.EWYQVELKAFQATQQK
     

   • Total number of assignments
     • ¹³C chemical shifts: 418
     • ¹H chemical shifts: 179
     • ¹⁵N chemical shifts: 179
   • Completeness of assignments
     • Entity_assemble_ID: 1
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	1179	418	35.5
         1H chemical shifts	1547	179	11.6
         15N chemical shifts	276	179	64.9

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	528	225	42.6
         1H chemical shifts	535	179	33.5
         15N chemical shifts	247	179	72.5

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	651	193	29.6
         1H chemical shifts	1012	0	0.0
         15N chemical shifts	29	0	0.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	132	16	12.1
         1H chemical shifts	132	0	0.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	142	0	0.0
         1H chemical shifts	145	0	0.0
         15N chemical shifts	3	0	0.0

   • Redox state of CYS
     • 1:17:CYS, CA: 57.67 ppm, CB: 29.91 ppm
       • Redox_state (pred. by CS): reduced
     • 1:98:CYS, CA: 55.52 ppm, CB: 41.18 ppm
       • Redox_state (pred. by CS): oxidized
     • 1:186:CYS, CA: 58.45 ppm, CB: 35.38 ppm
       • Redox_state (pred. by CS): oxidized
     • 1:201:CYS, CA: 53.21 ppm, CB: 31.93 ppm
       • Redox_state (pred. by CS): reduced
     • 1:216:CYS, CA: 57.73 ppm, CB: 33.36 ppm
       • Redox_state (pred. by CS): oxidized 55.0%, reduced 45.0%
   • Peptide bond of PRO
     • 1:2:PRO, CB: 32.64 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 35.0%, trans 65.0%
     • 1:22:PRO, CB: 30.69 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 1.6%, trans 98.4%
     • 1:47:PRO, CB: 31.93 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 11.7%, trans 88.3%
     • 1:84:PRO, CB: 31.54 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 6.1%, trans 93.9%
     • 1:106:PRO, CB: 31.73 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 8.4%, trans 91.6%
     • 1:136:PRO, CB: 32.32 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 21.9%, trans 78.1%
     • 1:199:PRO, CB: 31.93 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 11.7%, trans 88.3%
   • Histogram of normalized assigned chemical shifts
   • Random coil index and derived parameters (S² and NMR RMSD)
     • Chain_ID: 1