Properties

Disulfide bonds

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

Non-standard residues

Content subtype: bmr16668_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: 181, Sequence coverage: 95.0%

     --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
     MAAIRKKLVIVGDGACGKTCLLIVFSKDQFPEVYVPTVFENYVADIEVDGKQVELALWDTAGQEDYDRLRPLSYPDTDVILMCFSIDSPDSLENIPEKWT
     ||||||||||||||||| |||| ||||||| |||||||||||||||||||||||||||||| |||||   |||||||||||| |||||||||||||||||
     MAAIRKKLVIVGDGACG.TCLL.VFSKDQF.EVYVPTVFENYVADIEVDGKQVELALWDTA.QEDYD...PLSYPDTDVILM.FSIDSPDSLENIPEKWT
     
     -------110-------120-------130-------140-------150-------160-------170-------180-
     PEVKHFCPNVPIILVGNKKDLRNDEHTRRELAKMKQEPVKPEEGRDMANRIGAFGYMECSAKTKDGVREVFEMATRAALQA
     |||||||||||||||| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
     PEVKHFCPNVPIILVG.KKDLRNDEHTRRELAKMKQEPVKPEEGRDMANRIGAFGYMECSAKTKDGVREVFEMATRAALQA
     

   • Total number of assignments
     • ¹H chemical shifts: 270
     • ¹³C chemical shifts: 479
     • ¹⁵N chemical shifts: 152
   • Completeness of assignments
     • Entity_assemble_ID: 1
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	1105	270	24.4
         13C chemical shifts	828	479	57.9
         15N chemical shifts	193	152	78.8

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	361	270	74.8
         13C chemical shifts	362	328	90.6
         15N chemical shifts	170	152	89.4

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	744	0	0.0
         13C chemical shifts	466	151	32.4
         15N chemical shifts	23	0	0.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	106	0	0.0
         13C chemical shifts	106	12	11.3

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	71	0	0.0
         13C chemical shifts	69	0	0.0
         15N chemical shifts	2	0	0.0

   • Redox state of CYS
     • 1:16:CYS, CA: 53.82 ppm, CB: 28.33 ppm
       • Redox_state (pred. by CS): reduced
     • 1:20:CYS, CA: 67.4 ppm, CB: 31.16 ppm
       • Redox_state (pred. by CS): reduced
     • 1:107:CYS, CA: 55.41 ppm, CB: 28.34 ppm
       • Redox_state (pred. by CS): reduced
     • 1:159:CYS, CA: 55.79 ppm, CB: 31.8 ppm
       • Redox_state (pred. by CS): reduced
   • Peptide bond of PRO
     • 1:36:PRO, CB: 31.98 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 12.7%, trans 87.3%
     • 1:71:PRO, CB: 30.98 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 2.5%, trans 97.5%
     • 1:75:PRO, CB: 30.98 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 2.5%, trans 97.5%
     • 1:89:PRO, CB: 31.83 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 9.9%, trans 90.1%
     • 1:96:PRO, CB: 30.91 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 2.2%, trans 97.8%
     • 1:101:PRO, CB: 30.66 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 1.5%, trans 98.5%
     • 1:108:PRO, CB: 31.66 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 7.5%, trans 92.5%
     • 1:111:PRO, CB: 32.74 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 39.8%, trans 60.2%
     • 1:138:PRO, CB: 32.05 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 14.2%, trans 85.8%
     • 1:141:PRO, CB: 31.6 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 6.7%, trans 93.3%
   • Histogram of normalized assigned chemical shifts
   • Random coil index and derived parameters (S² and NMR RMSD)
     • Chain_ID: 1