Properties

Disulfide bonds

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

Non-standard residues

Content subtype: bmr6057_3.str

Assigned chemical shifts

1. Saveframe: shift_set_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: 1, Chain length: 193, Sequence coverage: 98.4%

     --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
     GAMDITGPIILQTYRAIADYEKTSGSEMALSTGDVVEVVEKSESGWWFCQMKAKRGWIPASFLEPLDSPDETEDPEPNYAGEPYVAIKAYTAVEGDEVSL
      ||||||||||||||||||||||| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
     .AMDITGPIILQTYRAIADYEKTS.SEMALSTGDVVEVVEKSESGWWFCQMKAKRGWIPASFLEPLDSPDETEDPEPNYAGEPYVAIKAYTAVEGDEVSL
     
     -------110-------120-------130-------140-------150-------160-------170-------180-------190---
     LEGEAVEVIHKLLDGWWVIRKDDVTGYFPSMYLQKSGQDVSQAQRQIKRGAPPRRSSIRNAHSIHQRSRKRLSQDAYRRNSVRFLQQRRRQAR
     ||||||||||||||||||||||||||||||||||||||||||||||||||| |||||||||||||||||||||||||||||||||||||||||
     LEGEAVEVIHKLLDGWWVIRKDDVTGYFPSMYLQKSGQDVSQAQRQIKRGA.PRRSSIRNAHSIHQRSRKRLSQDAYRRNSVRFLQQRRRQAR
     

   • Total number of assignments
     • ¹³C chemical shifts: 551
     • 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	869	551	63.4
         1H chemical shifts	1186	179	15.1
         15N chemical shifts	221	179	81.0

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	386	372	96.4
         1H chemical shifts	389	179	46.0
         15N chemical shifts	183	179	97.8

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	483	179	37.1
         1H chemical shifts	797	0	0.0
         15N chemical shifts	38	0	0.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	97	16	16.5
         1H chemical shifts	97	0	0.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	83	0	0.0
         1H chemical shifts	88	0	0.0
         15N chemical shifts	5	0	0.0

   • Redox state of CYS
     • 1:49:CYS, CA: 57.3 ppm, CB: 32.8 ppm
       • Redox_state (pred. by CS): oxidized 39.3%, reduced 60.7%
   • Peptide bond of PRO
     • 1:8:PRO, CB: 31.3 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 4.1%, trans 95.9%
     • 1:59:PRO, CB: 30.0 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 0.6%, trans 99.4%
     • 1:65:PRO, CB: 30.4 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 1.0%, trans 99.0%
     • 1:69:PRO, CB: 31.2 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 3.5%, trans 96.5%
     • 1:75:PRO, CB: 31.5 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 5.7%, trans 94.3%
     • 1:77:PRO, CB: 30.5 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 1.2%, trans 98.8%
     • 1:83:PRO, CB: 31.1 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 3.0%, trans 97.0%
     • 1:129:PRO, CB: 29.1 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): trans
     • 1:153:PRO, CB: 31.0 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 2.6%, trans 97.4%
   • Histogram of normalized assigned chemical shifts
   • Random coil index and derived parameters (S² and NMR RMSD)
     • Chain_ID: 1