Properties

Disulfide bonds

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

Non-standard residues

Content subtype: bmr17507_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: 197, Sequence coverage: 94.4%

     --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
     MASKRALVILAKGAEEMETVIPVDVMRRAGIKVTVAGLAGKDPVQCSRDVVICPDASLEDAKKEGPYDVVVLPGGNLGAQNLSESAAVKEILKEQENRKG
       ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ||||||||||||||||||||||||
     ..SKRALVILAKGAEEMETVIPVDVMRRAGIKVTVAGLAGKDPVQCSRDVVICPDASLEDAKKEGPYDVVVLPGG.LGAQNLSESAAVKEILKEQENRKG
     --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
     
     -------110-------120-------130-------140-------150-------160-------170-------180-------190-------
     LIAAICAGPTALLAHEIGFGSKVTTHPLAKDKMMNGGHYTYSENRVEKDGLILTSRGPGTSFEFALAIVEALNGKEVAAQVKAPLVLKDLEHHHHHH
     |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||        
     LIAAICAGPTALLAHEIGFGSKVTTHPLAKDKMMNGGHYTYSENRVEKDGLILTSRGPGTSFEFALAIVEALNGKEVAAQVKAPLVLKD        
     -------110-------120-------130-------140-------150-------160-------170-------180---------        
     

   • Total number of assignments
     • ¹³C chemical shifts: 533
     • ¹H chemical shifts: 171
     • ¹⁵N chemical shifts: 171
   • Completeness of assignments
     • Entity_assemble_ID: 1
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	861	533	61.9
         1H chemical shifts	1130	171	15.1
         15N chemical shifts	205	171	83.4

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	394	367	93.1
         1H chemical shifts	403	171	42.4
         15N chemical shifts	188	171	91.0

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	467	166	35.5
         1H chemical shifts	727	0	0.0
         15N chemical shifts	17	0	0.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	133	23	17.3
         1H chemical shifts	133	0	0.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	45	0	0.0
         1H chemical shifts	45	0	0.0

   • Redox state of CYS
     • 1:46:CYS, CA: 61.63 ppm, CB: 27.83 ppm
       • Redox_state (pred. by CS): reduced
     • 1:53:CYS, CA: 58.39 ppm, CB: 27.39 ppm
       • Redox_state (pred. by CS): reduced
     • 1:106:CYS, CA: 61.71 ppm, CB: 27.4 ppm
       • Redox_state (pred. by CS): reduced
   • Peptide bond of PRO
     • 1:22:PRO, CB: 29.63 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 0.4%, trans 99.6%
     • 1:43:PRO, CB: 31.87 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 10.6%, trans 89.4%
     • 1:54:PRO, CB: 32.15 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 16.7%, trans 83.3%
     • 1:66:PRO, CB: 34.41 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 97.1%, trans 2.9%
     • 1:73:PRO, CB: 32.31 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 21.6%, trans 78.4%
     • 1:109:PRO, CB: 29.82 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 0.5%, trans 99.5%
     • 1:127:PRO, CB: 31.98 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 12.7%, trans 87.3%
     • 1:158:PRO, CB: 32.38 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 24.0%, trans 76.0%
     • 1:184:PRO, CB: 30.92 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 2.3%, trans 97.7%
   • Histogram of normalized assigned chemical shifts
   • Random coil index and derived parameters (S² and NMR RMSD)
     • Chain_ID: 1