Properties

Disulfide bonds

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

Non-standard residues

Content subtype: bmr16509_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: 129, Sequence coverage: 86.0%

     --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
     GSNKFCSEAQFECQNHRCISKQWLCDGSDDCGDGSDEAAHCEGKTCGPSSFSCPGTHVCVPERWLCDGDKDCADGADESIAAGCLYNSTCDDREFMCQNR
     |||||||||||||||||||||||||||||||||||||||||||  ||||    |||       | ||   | ||||||||||||||||||||||||||||
     GSNKFCSEAQFECQNHRCISKQWLCDGSDDCGDGSDEAAHCEG..CGPS....PGT.......W.CD...D.ADGADESIAAGCLYNSTCDDREFMCQNR
     
     -------110-------120---------
     QCIPKHFVCDHDRDCADGSDESPECEYPT
     |||||||||||||||||||||||||||||
     QCIPKHFVCDHDRDCADGSDESPECEYPT
     

   • Total number of assignments
     • ¹³C chemical shifts: 193
     • ¹H chemical shifts: 101
     • ¹⁵N chemical shifts: 101
   • Completeness of assignments
     • Entity_assemble_ID: 1
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	511	193	37.8
         1H chemical shifts	697	101	14.5
         15N chemical shifts	139	101	72.7

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	258	107	41.5
         1H chemical shifts	263	99	37.6
         15N chemical shifts	123	99	80.5

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	253	86	34.0
         1H chemical shifts	434	2	0.5
         15N chemical shifts	16	2	12.5

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	31	7	22.6
         1H chemical shifts	31	0	0.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	53	0	0.0
         1H chemical shifts	55	2	3.6
         15N chemical shifts	2	2	100.0

   • Redox state of CYS
     • 1:6:CYS, CA: 52.722 ppm, CB: 39.105 ppm
       • Redox_state (pred. by CS): oxidized
     • 1:13:CYS, CA: 55.949 ppm, CB: 42.396 ppm
       • Redox_state (pred. by CS): oxidized
     • 1:18:CYS, CA: 53.124 ppm, CB: 40.965 ppm
       • Redox_state (pred. by CS): oxidized
     • 1:25:CYS, CA: 54.786 ppm, CB: 35.589 ppm
       • Redox_state (pred. by CS): oxidized
     • 1:31:CYS, CA: 58.206 ppm, CB: 43.225 ppm
       • Redox_state (pred. by CS): oxidized
     • 1:41:CYS, CA: 54.462 ppm, CB: 37.41 ppm
       • Redox_state (pred. by CS): oxidized
     • 1:46:CYS, CA: 54.907 ppm, CB: 41.465 ppm
       • Redox_state (pred. by CS): oxidized
     • 1:66:CYS, CA: 54.772 ppm, CB: None ppm
       • Redox_state (pred. by CS): oxidized 77.0%, reduced 23.0%
     • 1:84:CYS, CA: 52.676 ppm, CB: 33.931 ppm
       • Redox_state (pred. by CS): oxidized 94.8%, reduced 5.2%
     • 1:90:CYS, CA: 53.19 ppm, CB: 38.04 ppm
       • Redox_state (pred. by CS): oxidized
     • 1:97:CYS, CA: 55.498 ppm, CB: 41.954 ppm
       • Redox_state (pred. by CS): oxidized
     • 1:102:CYS, CA: 53.933 ppm, CB: 42.559 ppm
       • Redox_state (pred. by CS): oxidized
     • 1:109:CYS, CA: 55.078 ppm, CB: 33.441 ppm
       • Redox_state (pred. by CS): oxidized 81.2%, reduced 18.8%
     • 1:115:CYS, CA: 55.172 ppm, CB: 42.386 ppm
       • Redox_state (pred. by CS): oxidized
     • 1:125:CYS, CA: 56.162 ppm, CB: 36.788 ppm
       • Redox_state (pred. by CS): oxidized
   • Peptide bond of PRO
     • 1:123:PRO, CB: 31.761 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 8.8%, trans 91.2%
     • 1:128:PRO, CB: 32.086 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 15.1%, trans 84.9%
   • Histogram of normalized assigned chemical shifts
   • Random coil index and derived parameters (S² and NMR RMSD)
     • Chain_ID: 1